Crystallography Open Database
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Searching year of publication is 2012
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
9017922 | CIF Paper | Cl4 Cu O12 Pb5 Se4 | C 1 2/c 1 | 24.917; 5.506; 14.242 90; 101.77; 90 | 1912.82 | Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography Acta Crystallographica Section B, 2012, 68, 15-23 |
9017918 | CIF | Fe3 H28 O30 S4 | P -1 | 6.4274; 15.249; 6.3464 89.72; 100.79; 85.96 | 609.4 | Westland, R. E. New phases in the hydrous ferric sulfate system, a supporting argument that the mineral lausenite is of formula Fe2(SO4)3*5H2O and the crystal structure refinement and hydrogen bonding scheme of the minerals quenstedtite and romerite Master's, 2012 |
9017917 | CIF | Fe2 H22 O23 S3 | P -1 | 6.1741; 23.5062; 6.5282 85.633; 101.553; 83.745 | 918.034 | Westland, R. E. New phases in the hydrous ferric sulfate system, a supporting argument that the mineral lausenite is of formula Fe2(SO4)3*5H2O and the crystal structure refinement and hydrogen bonding scheme of the minerals quenstedtite and romerite Master's, 2012 |
9017888 | CIF | As0.745 Pb0.98 S4 Sb1.275 | P 1 21/n 1 | 7.997; 19.517; 8.634 90; 91.061; 90 | 1347.34 | Makovicky, E.; Topa, D. Twinnite, Pb0.8Tl0.1Sb1.3As0.8S4, the OD character and the question of its polytypism Zeitschrift fur Kristallographie, 2012, 227, 468-475 |
9017887 | CIF | Ca4 H16 O16 Si2 | C 1 2/m 1 | 16.907; 3.6528; 13.068 90; 117.25; 90 | 717.483 | Zubkova, N. V.; Pekov, I. V.; Pushcharovsky, D. Y.; Zadov, A. E.; Chukanov, N. V. The crystal structure of aklimaite, Ca4[Si2O5(OH)2](OH)4*5H2O Zeitschrift fur Kristallographie, 2012, 227, 452-455 |
9017839 | CIF | Al0.89 Fe0.11 K O8 S2 | P 3 1 2 | 4.7281; 4.7281; 7.9936 90; 90; 120 | 154.756 | Murashko, M. N.; Pekov, I. V.; Krivovichev, S. V.; Chernyatyeava, A. P.; Yapaskurt, V. O.; Zadov, A. E.; Zelensky, M. E. Steklite, KAl(SO4)2: the find at Tolbachik volcano (Kamchatka, Russia). Validation as a mineral species and crystal structure Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2012, 141, 36-44 |
9017838 | CIF | Ba0.04 Ca0.12 Fe0.36 H1.6 K0.16 Mg0.14 Mn0.44 Na0.46 Nb0.82 O41.42 Si8 Ti5.32 Zn2.62 Zr0.24 | P -1 | 8.743; 8.698; 11.581 91.54; 98.29; 105.65 | 837.184 | Pekov, I. V.; Britvin, S. N.; Zubkova, N. V.; Chukanov, N. V.; Bryzfalov, I. A.; Lykova, I. S.; Belakovskiy, D. I.; Pushcharovsky, D. Y. Vigrishinite, Zn2Ti4-xSi4O14(OH,H2O,[_])8, a new mineral from Lovozero alkaline massif (Kola Peninsula, Russia) Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2012, 141, 12-27 |
9017836 | CIF | Al4.23 Ca0.01 Fe0.45 K0.72 Mg1.96 Mn0.04 Na0.03 O30 Si10.32 | P 6/m c c | 10.0959; 10.0959; 14.3282 90; 90; 120 | 1264.77 | Chukanov, N. V.; Pekov, I. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Belakovskiy, D. I.; Van, K. V.; Schuller, V.; Ternes, B. Osumilite-(Mg): Validation as a mineral species and new data Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2012, 141, 27-36 |
9017805 | CIF | Cr Fe0.003 O4 Pb0.997 | P 1 21/n 1 | 7.098; 7.41; 6.779 90; 102.4; 90 | 348.232 | Bandiello, E.; Errandonea, D.; Martinez-Garcia D; Santamaria-Perez D; Manjon, F. J. Effects of high-pressure on the structural, vibrational, and electronic properties of monzanite-type PbCrO4 Physical Review, 2012, 024108-024110 |
9017796 | CIF | Al0.02 Ca0.568 Ce1.7 Fe1.2 La1.48 Mg0.015 Mn0.76 Nb0.09 Nd0.168 O22 Pr0.04 Si4 Ti2.935 | P 1 21/m 1 | 13.3722; 5.7434; 11.0862 90; 100.58; 90 | 836.966 | Chukanov, N. V.; Aksenov, S. M.; Rastsvetaeva, R. K.; Belakovskiy, D. I.; Gottlicher, J.; Britvin, S. N.; Mockel, S. Christofschaferite-(Ce), (Ce,La,Ca)4Mn2+(Ti,Fe3+)3(Fe3+,Fe2+,Ti)(Si2O7)2O8, a new chevkinite-group mineral from the Eifel area, Germany New Data on Minerals. Moscow, 2012, 47, 31-40 |
9017781 | CIF | Al1.69 Ca1.3 Fe0.67 H Mn0.67 O13 Pb0.73 Si2.96 | P 1 21/m 1 | 8.936; 5.697; 10.26 90; 114.12; 90 | 476.717 | Chukanov, N. V.; Varlamov, D. A.; Nestola, F.; Belakovskiy, D. I.; Goettlicher, J.; Britvin, S. N.; Lanza, A.; Jancev, S. Piemontite-(Pb), CaPbAl2Mn3+[Si2O7][SiO4]O(OH), a new mineral species of the epidote supergroup Neues Jahrbuch fur Mineralogie, Abhandlungen, 2012, 189, 275-286 |
9017584 | CIF | Fe0.58 H16 Mg0.27 O21 S2 U2 Zn0.16 | P n n 2 | 15.8514; 16.2478; 6.8943 90; 90; 90 | 1775.63 | Plasil, J.; Hauser, J.; Petricek, V.; Meisser, N.; Mills, S. J.; Skoda, R.; Fejfarova, K.; Cejka, J.; Sejkora, J.; Hlousek, J.; Johannet, J. M.; Machovic, V.; Lapcak, L. Crystal structure and formula revision of deliensite, Fe[(UO2)2(SO4)2(OH)2](H2O)7 Mineralogical Magazine, 2012, 76, 2837-2860 |
9017583 | CIF | Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 | R -3 m :H | 6.928; 6.928; 16.177 90; 90; 120 | 672.426 | Mills, S. J.; Nestola, F. Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 7.4 GPa Mineralogical Magazine, 2012, 76, 975-985 |
9017582 | CIF | Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 | R -3 m :H | 6.9538; 6.9538; 16.2436 90; 90; 120 | 680.232 | Mills, S. J.; Nestola, F. Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 5.7 GPa Mineralogical Magazine, 2012, 76, 975-985 |
9017581 | CIF | Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 | R -3 m :H | 6.9822; 6.9822; 16.3379 90; 90; 120 | 689.781 | Mills, S. J.; Nestola, F. Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 3.6 GPa Mineralogical Magazine, 2012, 76, 975-985 |
9017580 | CIF | Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 | R -3 m :H | 7.0147; 7.0147; 16.4461 90; 90; 120 | 700.829 | Mills, S. J.; Nestola, F. Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 1.6 GPa Mineralogical Magazine, 2012, 76, 975-985 |
9017579 | CIF | Fe Ge H6 O6 | P 1 2/n 1 | 7.5509; 7.4695; 7.5531 90; 90.005; 90 | 426.006 | Kleppe, A. K.; Welch, M. D.; Crichton, W. A.; Jephcoat, A. P. Phase transitions in hydroxide perovskites: a Raman spectroscopic study of stottite, FeGe(OH)6, to 21 GPa Note: this is the preferred structure Mineralogical Magazine, 2012, 76, 949-962 |
9017578 | CIF | Fe Ge H6 O6 | P 42/n :2 | 7.552; 7.552; 7.4694 90; 90; 90 | 426 | Kleppe, A. K.; Welch, M. D.; Crichton, W. A.; Jephcoat, A. P. Phase transitions in hydroxide perovskites: a Raman spectroscopic study of stottite, FeGe(OH)6, to 21 GPa Mineralogical Magazine, 2012, 76, 949-962 |
9017577 | CIF | Al2.55 As1.64 Fe0.45 H7 O14 Pb S0.36 | R -3 m :H | 7.1142; 7.1142; 17.0973 90; 90; 120 | 749.394 | Cooper, M. A.; Hawthorne, F. C. Refinement of the crystal structure of zoned philipsbornite-hidalgoite from the Tsumeb mine, Namibia, and hydrogen bonding in the D2+G3+3(T5+O4)(TO3OH)(OH)6 alunite structures Mineralogical Magazine, 2012, 76, 839-849 |
9017535 | CIF | Ca O3 Si | C 1 2/c 1 | 6.83556; 11.86962; 19.6255 90; 90.6805; 90 | 1592.21 | Seryotkin, Y. V.; Sokol, E. V.; Kokh, S. N. Natural pseudowollastonite: Crystal structure, associated minerals, and geological context Lithos, 2012, 75-90 |
9017500 | CIF | C0.07 H2 Al0.039 Cl0.11 Cr0.124 Fe0.087 Mg0.75 O2.851 | R -3 m :H | 3.10124; 3.10124; 23.6817 90; 90; 120 | 197.249 | Mills, S. J.; Whitfield, P. S.; Kampf, A. R.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M.; Favreau, G. Contribution to the crystallography of hydrotalcites: the crystal structures of woodallite and takovite Note: polytype 3R Note: calculated chemical formula differs from expected Journal of Geosciences, 2012, 58, 273-279 |
9017499 | CIF | C0.34 H2 Al0.377 Ni0.623 O3.02 | R -3 m :H | 3.029; 3.029; 22.5995 90; 90; 120 | 179.568 | Mills, S. J.; Whitfield, P. S.; Kampf, A. R.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M.; Favreau, G. Contribution to the crystallography of hydrotalcites: the crystal structures of woodallite and takovite Note: polytype 3R Note: calculated chemical formula differs from expected Journal of Geosciences, 2012, 58, 273-279 |
9017470 | CIF | Ca Mg O6 Si2 | P 1 21/c 1 | 9.053; 7.677; 4.751 90; 96.34; 90 | 328.175 | Plonka, A. M.; Dera, P.; Irmen, P.; Rivers, M. L.; Ehm, L.; Parise, J. B. Beta-diopside, a new ultrahigh-pressure polymorph of CaMgSi2O6 with six-coordinated silicon Note: P = 56.1 GPa Geophysical Research Letters, 2012, 39, L24307-4 |
9017469 | CIF | Ca Mg O6 Si2 | C 1 2/c 1 | 9.234; 8.255; 4.959 90; 104.592; 90 | 365.815 | Plonka, A. M.; Dera, P.; Irmen, P.; Rivers, M. L.; Ehm, L.; Parise, J. B. Beta-diopside, a new ultrahigh-pressure polymorph of CaMgSi2O6 with six-coordinated silicon Note: P = 38.6 GPa Geophysical Research Letters, 2012, 39, L24307-4 |
9017425 | CIF | H12 O13 S Zn4 | P 1 | 8.312; 14.545; 18.504 89.71; 90.05; 90.13 | 2237.06 | Rastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Verin, I. A. Crystal structure of a new mineral lahnsteinite Zn4(SO4)(OH)6*3H2O Crystallography Reports, 2012, 57, 737-741 |
9017411 | CIF | C Ca O3 | P 21 21 21 | 4.3668; 6.5831; 8.4282 90; 90; 90 | 242.286 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
9017410 | CIF | C Ca O3 | A m a 2 | 8.4905; 6.3905; 4.5026 90; 90; 90 | 244.305 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
9017409 | CIF | C Ca O3 | P 32 2 1 | 7.1239; 7.1239; 25.3203 90; 90; 120 | 1112.85 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
9017408 | CIF | C Ca O3 | P 65 | 7.112; 7.112; 25.4089 90; 90; 120 | 1113.01 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
9017403 | CIF | H2 Mg3 O12 Si4 | C -1 | 5.1848; 8.923; 9.19 90.69; 90.9; 90 | 425.083 | Drits, V. A.; Guggenheim, S.; Zviagina, B. B.; Kogure, T. Structures of the 2:1 layers of pyrophyllite and talc Note: structure is averaged to remove stacking disorder effects Clays and Clay Minerals, 2012, 60, 574-587 |
9017267 | CIF | Al2 Be2.078 Cs0.96 Li0.922 Na0.143 O18 Si6 | R -3 c :H | 15.95; 15.95; 27.86 90; 90; 120 | 6138.09 | Gatta, D. G.; Adamo, I.; Meven, M.; Lambruschi, E. A single-crystal neutron and X-ray diffraction of pezzottaite Note: Neutron data, T = 2.3 K Physics and Chemistry of Minerals, 2012, 39, 829-840 |
9017266 | CIF | Al2 Be2 Cs0.717 Li Na0.121 O18 Si6 | R -3 c :H | 15.9615; 15.9615; 27.8568 90; 90; 120 | 6146.24 | Gatta, D. G.; Adamo, I.; Meven, M.; Lambruschi, E. A single-crystal neutron and X-ray diffraction of pezzottaite Note: X-ray data, T = 298 K Physics and Chemistry of Minerals, 2012, 39, 829-840 |
9016905 | CIF | Al1.1 Ba0.01 Ca0.01 Fe0.55 K0.91 Mg2 Na0.04 O11.98 Si2.96 Ti0.38 | C 1 2/c 1 | 5.3307; 9.2315; 20.155 90; 95.095; 90 | 987.916 | Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E. Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_12 American Mineralogist, 2012, 97, 430-439 |
9016904 | CIF | Al1.09 Ba0.01 F0.02 Fe0.58 H K0.94 Mg2 Na0.04 O11.98 Si2.93 Ti0.4 | C 1 2/c 1 | 5.3283; 9.2304; 20.1565 90; 95.131; 90 | 987.371 | Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E. Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_10 American Mineralogist, 2012, 97, 430-439 |
9016903 | CIF | Al1.12 Ba0.01 Cr0.02 F0.02 Fe0.4 H1.24 K0.93 Mg2.23 Na0.04 O11.74 Si2.91 Ti0.32 | C 1 2/c 1 | 5.3252; 9.2246; 20.1908 90; 95.086; 90 | 987.924 | Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E. Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_6 American Mineralogist, 2012, 97, 430-439 |
9016902 | CIF | Al1.09 Ba0.01 Cr0.02 F0.02 Fe0.42 H1.15 K0.94 Mg2.16 Na0.04 O11.83 Si2.96 Ti0.33 | C 1 2/c 1 | 5.3255; 9.2285; 20.1897 90; 94.994; 90 | 988.484 | Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E. Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_2 American Mineralogist, 2012, 97, 430-439 |
9016901 | CIF | Al1.11 Ba0.01 Cr0.02 F0.02 Fe0.41 H1.22 K0.94 Mg2.23 Na0.05 O11.76 Si2.91 Ti0.32 | C 1 2/c 1 | 5.3273; 9.2231; 20.1964 90; 95.121; 90 | 988.373 | Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E. Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_1 American Mineralogist, 2012, 97, 430-439 |
9016900 | CIF | Cl O12 P3 Pb5 | P 63/m | 10.0017; 10.0017; 7.3413 90; 90; 120 | 635.991 | Mills, S. J.; Ferraris, G.; Kampf, A. R.; Favreau, G. Twinning in pyromorphite: The first documented occurrence of twinning by merohedry in the apatite supergroup American Mineralogist, 2012, 97, 415-418 |
9016899 | CIF | Al6.692 B O18 Si2.943 | P n m a | 4.6882; 11.7924; 20.1856 90; 90; 90 | 1115.96 | Evans, R. J.; Fyfe, C. A.; Groat, L. A.; Lam, A. E. MAS NMR measurements and ab initio calculations of the 29Si chemical shifts in dumortierite and holtite American Mineralogist, 2012, 97, 329-340 |
9016898 | CIF | Ca2 Fe2 Nb2 O14 Zr2 | C 1 2/c 1 | 12.670281; 7.378349; 11.525772 90; 100.67; 90 | 1058.87 | Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R. Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrFeNbO7, model 3 American Mineralogist, 2012, 97, 291-298 |
9016897 | CIF | Ca2 Fe2 Nb2 O14 Zr2 | C 1 2/c 1 | 12.670281; 7.378349; 11.525772 90; 100.67; 90 | 1058.87 | Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R. Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrFeNbO7, model 2 American Mineralogist, 2012, 97, 291-298 |
9016896 | CIF | Ca2 Fe2 Nb2 O14 Zr2 | C 1 2/c 1 | 12.670281; 7.378349; 11.525772 90; 100.67; 90 | 1058.87 | Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R. Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrFeNbO7, model 1 American Mineralogist, 2012, 97, 291-298 |
9016895 | CIF | Ca2 Fe Nb0.99 O14 Ti2.01 Zr2 | C 1 2/c 1 | 12.527951; 7.304224; 11.426725 90; 100.602; 90 | 1027.78 | Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R. Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrTiFe0.5Nb0.5O7 American Mineralogist, 2012, 97, 291-298 |
9016894 | CIF | Ca2 O14 Ti4 Zr2 | C 1 2/c 1 | 12.443024; 7.272901; 11.380867 90; 100.564; 90 | 1012.47 | Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R. Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrTi2O7 American Mineralogist, 2012, 97, 291-298 |
9016893 | CIF | Fe4.503 S5 | P 1 21 1 | 6.893; 28.643; 6.899 90; 120.048; 90 | 1179.05 | Liles, D. C.; de Villiers, J. P. R. Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 293 K American Mineralogist, 2012, 97, 257-261 |
9016892 | CIF | Fe4.51 S5 | P 1 21 1 | 6.8984; 28.695; 6.8915 90; 119.956; 90 | 1181.93 | Liles, D. C.; de Villiers, J. P. R. Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 293 K American Mineralogist, 2012, 97, 257-261 |
9016891 | CIF | Fe4.509 S5 | P 1 21 1 | 6.8673; 28.6536; 6.8592 90; 119.975; 90 | 1169.17 | Liles, D. C.; de Villiers, J. P. R. Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 120 K American Mineralogist, 2012, 97, 257-261 |
9016890 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9602; 3.9602; 3.9602 90; 90; 90 | 62.109 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 55.52 GPa American Mineralogist, 2012, 97, 176-183 |
9016889 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9786; 3.9786; 3.9786 90; 90; 90 | 62.978 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 51.42 GPa American Mineralogist, 2012, 97, 176-183 |
9016888 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9972; 3.9972; 3.9972 90; 90; 90 | 63.866 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 47.43 GPa American Mineralogist, 2012, 97, 176-183 |
9016887 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0122; 4.0122; 4.0122 90; 90; 90 | 64.587 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 43.63 GPa American Mineralogist, 2012, 97, 176-183 |
9016886 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0244; 4.0244; 4.0244 90; 90; 90 | 65.178 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 41.10 GPa American Mineralogist, 2012, 97, 176-183 |
9016885 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0352; 4.0352; 4.0352 90; 90; 90 | 65.705 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 38.72 GPa American Mineralogist, 2012, 97, 176-183 |
9016884 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0515; 4.0515; 4.0515 90; 90; 90 | 66.504 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 35.29 GPa American Mineralogist, 2012, 97, 176-183 |
9016883 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0689; 4.0689; 4.0689 90; 90; 90 | 67.364 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 31.64 GPa American Mineralogist, 2012, 97, 176-183 |
9016882 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0925; 4.0925; 4.0925 90; 90; 90 | 68.543 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 27.45 GPa American Mineralogist, 2012, 97, 176-183 |
9016881 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1211; 4.1211; 4.1211 90; 90; 90 | 69.991 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 22.46 GPa American Mineralogist, 2012, 97, 176-183 |
9016880 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1545; 4.1545; 4.1545 90; 90; 90 | 71.706 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 16.80 GPa American Mineralogist, 2012, 97, 176-183 |
9016879 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1874; 4.1874; 4.1874 90; 90; 90 | 73.423 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 12.27 GPa American Mineralogist, 2012, 97, 176-183 |
9016878 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9399; 3.9399; 3.9399 90; 90; 90 | 61.158 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 57.85 GPa American Mineralogist, 2012, 97, 176-183 |
9016877 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9576; 3.9576; 3.9576 90; 90; 90 | 61.986 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 54.28 GPa American Mineralogist, 2012, 97, 176-183 |
9016876 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9743; 3.9743; 3.9743 90; 90; 90 | 62.774 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 50.28 GPa American Mineralogist, 2012, 97, 176-183 |
9016875 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9908; 3.9908; 3.9908 90; 90; 90 | 63.559 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 46.21 GPa American Mineralogist, 2012, 97, 176-183 |
9016874 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0072; 4.0072; 4.0072 90; 90; 90 | 64.346 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 42.01 GPa American Mineralogist, 2012, 97, 176-183 |
9016873 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0179; 4.0179; 4.0179 90; 90; 90 | 64.863 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 39.67 GPa American Mineralogist, 2012, 97, 176-183 |
9016872 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0318; 4.0318; 4.0318 90; 90; 90 | 65.539 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 36.52 GPa American Mineralogist, 2012, 97, 176-183 |
9016871 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0442; 4.0442; 4.0442 90; 90; 90 | 66.145 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 33.92 GPa American Mineralogist, 2012, 97, 176-183 |
9016870 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0634; 4.0634; 4.0634 90; 90; 90 | 67.092 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 30.14 GPa American Mineralogist, 2012, 97, 176-183 |
9016869 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0867; 4.0867; 4.0867 90; 90; 90 | 68.252 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 25.78 GPa American Mineralogist, 2012, 97, 176-183 |
9016868 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1158; 4.1158; 4.1158 90; 90; 90 | 69.721 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 20.51 GPa American Mineralogist, 2012, 97, 176-183 |
9016867 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.145; 4.145; 4.145 90; 90; 90 | 71.215 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 15.12 GPa American Mineralogist, 2012, 97, 176-183 |
9016866 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1782; 4.1782; 4.1782 90; 90; 90 | 72.94 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 700 K, P = 10.94 GPa American Mineralogist, 2012, 97, 176-183 |
9016865 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9364; 3.9364; 3.9364 90; 90; 90 | 60.995 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 55.09 GPa American Mineralogist, 2012, 97, 176-183 |
9016864 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9525; 3.9525; 3.9525 90; 90; 90 | 61.747 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 52.35 GPa American Mineralogist, 2012, 97, 176-183 |
9016863 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9717; 3.9717; 3.9717 90; 90; 90 | 62.651 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 48.08 GPa American Mineralogist, 2012, 97, 176-183 |
9016862 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9877; 3.9877; 3.9877 90; 90; 90 | 63.411 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 44.23 GPa American Mineralogist, 2012, 97, 176-183 |
9016861 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0044; 4.0044; 4.0044 90; 90; 90 | 64.211 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 40.01 GPa American Mineralogist, 2012, 97, 176-183 |
9016860 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0148; 4.0148; 4.0148 90; 90; 90 | 64.713 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 37.59 GPa American Mineralogist, 2012, 97, 176-183 |
9016859 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0269; 4.0269; 4.0269 90; 90; 90 | 65.3 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 34.79 GPa American Mineralogist, 2012, 97, 176-183 |
9016858 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.041; 4.041; 4.041 90; 90; 90 | 65.988 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 31.78 GPa American Mineralogist, 2012, 97, 176-183 |
9016857 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.059; 4.059; 4.059 90; 90; 90 | 66.874 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 28.32 GPa American Mineralogist, 2012, 97, 176-183 |
9016856 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0824; 4.0824; 4.0824 90; 90; 90 | 68.037 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 23.83 GPa American Mineralogist, 2012, 97, 176-183 |
9016855 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1101; 4.1101; 4.1101 90; 90; 90 | 69.432 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 18.85 GPa American Mineralogist, 2012, 97, 176-183 |
9016854 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.143; 4.143; 4.143 90; 90; 90 | 71.112 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 13.05 GPa American Mineralogist, 2012, 97, 176-183 |
9016853 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1714; 4.1714; 4.1714 90; 90; 90 | 72.585 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 8.96 GPa American Mineralogist, 2012, 97, 176-183 |
9016852 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.2426; 4.2426; 4.2426 90; 90; 90 | 76.365 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 300 K, P = 0.0 GPa American Mineralogist, 2012, 97, 176-183 |
9016851 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9481; 3.9481; 3.9481 90; 90; 90 | 61.541 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 55.47 GPa American Mineralogist, 2012, 97, 176-183 |
9016850 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9581; 3.9581; 3.9581 90; 90; 90 | 62.01 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 53.53 GPa American Mineralogist, 2012, 97, 176-183 |
9016849 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9676; 3.9676; 3.9676 90; 90; 90 | 62.457 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 51.61 GPa American Mineralogist, 2012, 97, 176-183 |
9016848 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9775; 3.9775; 3.9775 90; 90; 90 | 62.926 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 49.32 GPa American Mineralogist, 2012, 97, 176-183 |
9016847 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9911; 3.9911; 3.9911 90; 90; 90 | 63.574 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 45.80 GPa American Mineralogist, 2012, 97, 176-183 |
9016846 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0069; 4.0069; 4.0069 90; 90; 90 | 64.332 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 42.17 GPa American Mineralogist, 2012, 97, 176-183 |
9016845 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0251; 4.0251; 4.0251 90; 90; 90 | 65.212 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 38.32 GPa American Mineralogist, 2012, 97, 176-183 |
9016844 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0489; 4.0489; 4.0489 90; 90; 90 | 66.376 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 33.12 GPa American Mineralogist, 2012, 97, 176-183 |
9016843 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0785; 4.0785; 4.0785 90; 90; 90 | 67.842 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 27.50 GPa American Mineralogist, 2012, 97, 176-183 |
9016842 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1187; 4.1187; 4.1187 90; 90; 90 | 69.868 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 20.82 GPa American Mineralogist, 2012, 97, 176-183 |
9016841 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1676; 4.1676; 4.1676 90; 90; 90 | 72.387 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 1100 K, P = 13.45 GPa American Mineralogist, 2012, 97, 176-183 |
9016840 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9414; 3.9414; 3.9414 90; 90; 90 | 61.228 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 54.52 GPa American Mineralogist, 2012, 97, 176-183 |
9016839 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.951; 3.951; 3.951 90; 90; 90 | 61.677 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 52.70 GPa American Mineralogist, 2012, 97, 176-183 |
9016838 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9613; 3.9613; 3.9613 90; 90; 90 | 62.16 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 50.40 GPa American Mineralogist, 2012, 97, 176-183 |
9016837 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9708; 3.9708; 3.9708 90; 90; 90 | 62.609 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 48.26 GPa American Mineralogist, 2012, 97, 176-183 |
9016836 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9855; 3.9855; 3.9855 90; 90; 90 | 63.307 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 44.55 GPa American Mineralogist, 2012, 97, 176-183 |
9016835 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0014; 4.0014; 4.0014 90; 90; 90 | 64.067 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 40.83 GPa American Mineralogist, 2012, 97, 176-183 |
9016834 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.021; 4.021; 4.021 90; 90; 90 | 65.013 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 36.52 GPa American Mineralogist, 2012, 97, 176-183 |
9016833 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0423; 4.0423; 4.0423 90; 90; 90 | 66.052 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 32.06 GPa American Mineralogist, 2012, 97, 176-183 |
9016832 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0707; 4.0707; 4.0707 90; 90; 90 | 67.454 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 26.22 GPa American Mineralogist, 2012, 97, 176-183 |
9016831 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1113; 4.1113; 4.1113 90; 90; 90 | 69.492 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 19.50 GPa American Mineralogist, 2012, 97, 176-183 |
9016830 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1581; 4.1581; 4.1581 90; 90; 90 | 71.893 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 700 K, P = 12.11 GPa American Mineralogist, 2012, 97, 176-183 |
9016829 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9365; 3.9365; 3.9365 90; 90; 90 | 61 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 52.98 GPa American Mineralogist, 2012, 97, 176-183 |
9016828 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9459; 3.9459; 3.9459 90; 90; 90 | 61.438 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 51.31 GPa American Mineralogist, 2012, 97, 176-183 |
9016827 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.957; 3.957; 3.957 90; 90; 90 | 61.958 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 48.91 GPa American Mineralogist, 2012, 97, 176-183 |
9016826 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9673; 3.9673; 3.9673 90; 90; 90 | 62.443 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 46.39 GPa American Mineralogist, 2012, 97, 176-183 |
9016825 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9812; 3.9812; 3.9812 90; 90; 90 | 63.102 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 43.04 GPa American Mineralogist, 2012, 97, 176-183 |
9016824 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 3.9962; 3.9962; 3.9962 90; 90; 90 | 63.818 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 39.40 GPa American Mineralogist, 2012, 97, 176-183 |
9016823 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0145; 4.0145; 4.0145 90; 90; 90 | 64.699 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 35.19 GPa American Mineralogist, 2012, 97, 176-183 |
9016822 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0369; 4.0369; 4.0369 90; 90; 90 | 65.788 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 30.25 GPa American Mineralogist, 2012, 97, 176-183 |
9016821 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.0654; 4.0654; 4.0654 90; 90; 90 | 67.191 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 24.85 GPa American Mineralogist, 2012, 97, 176-183 |
9016820 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1049; 4.1049; 4.1049 90; 90; 90 | 69.168 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 17.63 GPa American Mineralogist, 2012, 97, 176-183 |
9016819 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.1506; 4.1506; 4.1506 90; 90; 90 | 71.504 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 10.62 GPa American Mineralogist, 2012, 97, 176-183 |
9016818 | CIF | Fe0.17 Mg0.83 O | F m -3 m | 4.2331; 4.2331; 4.2331 90; 90; 90 | 75.853 | Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I. Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.83,Fe0.17)O, T = 300 K, P = 0.0 GPa American Mineralogist, 2012, 97, 176-183 |
9016817 | CIF | Fe3 O4 | F d -3 m :2 | 8.125; 8.125; 8.125 90; 90; 90 | 536.377 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 21.1 GPa American Mineralogist, 2012, 97, 128-133 |
9016816 | CIF | Fe3 O4 | F d -3 m :2 | 8.138; 8.138; 8.138 90; 90; 90 | 538.956 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 20.0 GPa American Mineralogist, 2012, 97, 128-133 |
9016815 | CIF | Fe3 O4 | F d -3 m :2 | 8.149; 8.149; 8.149 90; 90; 90 | 541.144 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 19.1 GPa American Mineralogist, 2012, 97, 128-133 |
9016814 | CIF | Fe3 O4 | F d -3 m :2 | 8.158; 8.158; 8.158 90; 90; 90 | 542.939 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 18.1 GPa American Mineralogist, 2012, 97, 128-133 |
9016813 | CIF | Fe3 O4 | F d -3 m :2 | 8.174; 8.174; 8.174 90; 90; 90 | 546.14 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 17.0 GPa American Mineralogist, 2012, 97, 128-133 |
9016812 | CIF | Fe3 O4 | F d -3 m :2 | 8.184; 8.184; 8.184 90; 90; 90 | 548.147 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 16.0 GPa American Mineralogist, 2012, 97, 128-133 |
9016811 | CIF | Fe3 O4 | F d -3 m :2 | 8.198; 8.198; 8.198 90; 90; 90 | 550.965 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 15.1 GPa American Mineralogist, 2012, 97, 128-133 |
9016810 | CIF | Fe3 O4 | F d -3 m :2 | 8.207; 8.207; 8.207 90; 90; 90 | 552.781 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 14.4 GPa American Mineralogist, 2012, 97, 128-133 |
9016809 | CIF | Fe3 O4 | F d -3 m :2 | 8.225; 8.225; 8.225 90; 90; 90 | 556.426 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 12.9 GPa American Mineralogist, 2012, 97, 128-133 |
9016808 | CIF | Fe3 O4 | F d -3 m :2 | 8.236; 8.236; 8.236 90; 90; 90 | 558.662 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 12.1 GPa American Mineralogist, 2012, 97, 128-133 |
9016807 | CIF | Fe3 O4 | F d -3 m :2 | 8.249; 8.249; 8.249 90; 90; 90 | 561.311 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 11.0 GPa American Mineralogist, 2012, 97, 128-133 |
9016806 | CIF | Fe3 O4 | F d -3 m :2 | 8.261; 8.261; 8.261 90; 90; 90 | 563.765 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 10.0 GPa American Mineralogist, 2012, 97, 128-133 |
9016805 | CIF | Fe3 O4 | F d -3 m :2 | 8.272; 8.272; 8.272 90; 90; 90 | 566.02 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 8.6 GPa American Mineralogist, 2012, 97, 128-133 |
9016804 | CIF | Fe3 O4 | F d -3 m :2 | 8.304; 8.304; 8.304 90; 90; 90 | 572.614 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 6.3 GPa American Mineralogist, 2012, 97, 128-133 |
9016803 | CIF | Fe3 O4 | F d -3 m :2 | 8.328; 8.328; 8.328 90; 90; 90 | 577.593 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 4.4 GPa American Mineralogist, 2012, 97, 128-133 |
9016802 | CIF | Fe3 O4 | F d -3 m :2 | 8.35; 8.35; 8.35 90; 90; 90 | 582.183 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 2.9 GPa American Mineralogist, 2012, 97, 128-133 |
9016801 | CIF | Fe3 O4 | F d -3 m :2 | 8.394; 8.394; 8.394 90; 90; 90 | 591.435 | Glazyrin, K.; McCammon, C.; Dubrovinsky, L.; Merlini, M.; Schollenbruch, K.; Woodland, A.; Hanfland, M. Effect of high pressure on the crystal structure and electronic properties of magnetite below 25 GPa Note: P = 0.0001 GPa American Mineralogist, 2012, 97, 128-133 |
9016729 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.347; 12.347; 4.935 90; 90; 120 | 651.539 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 4.30 GPa American Mineralogist, 2012, 97, 872-882 |
9016723 | CIF | H6 Mg O6 Si | P 1 21 1 | 4.958; 5.056; 7.14 90; 89.87; 90 | 178.983 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from Pnam American Mineralogist, 2012, 97, 1043-1048 |
9016721 | CIF | Al7.872 B3 Ca0.01 F0.26 Fe3.258 H3.74 K0.01 Li0.06 Mg0.318 Mn0.222 Na0.61 O39.74 Si5.652 Ti0.24 Zn0.078 | R 3 m :H | 15.9783; 15.9783; 7.1507 90; 90; 120 | 1581.03 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MASR European Journal of Mineralogy, 2012, 24, 695-715 |
9016719 | CIF | Al2 Co0.08 Mg0.91 O4 | F d -3 m :2 | 8.0848; 8.0848; 8.0848 90; 90; 90 | 528.455 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl1 American Mineralogist, 2012, 97, 1834-1840 |
9016710 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.5605; 6.5605; 9.6574 90; 90; 120 | 359.969 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.01 GPa American Mineralogist, 2012, 97, 1749-1763 |
9016704 | CIF | Al0.16 As4.92 Fe0.84 H16 Mg1.66 Mn23.39 O62 Si7.22 Zn2.81 | C 2 2 21 | 8.1821; 14.1946; 43.9103 90; 90; 90 | 5099.81 | Cooper, M. A.; Hawthorne, F. C. Crystal structure of kraisslite, Zn3(Mn,Mg)25(Fe3+,Al)(As3+O3)2[(Si,As5+)O4]10(OH)16, from the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA Mineralogical Magazine, 2012, 76, 2819-2836 |
9016698 | CIF | Al1.459 Fe0.54 Mg1.003 O4 | F d -3 m :2 | 8.1709; 8.1709; 8.1709 90; 90; 90 | 545.519 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016689 | CIF | Cr Mn2 O9 Pb2 | P -1 | 5.0278; 7.5865; 10.2808 91.968; 99.405; 109.159 | 363.813 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Bottrill, R. S.; Kolitsch, U. Reynoldsite, Pb2Mn4+2O5(CrO4), a new phyllomanganate-chromate from the Blue Bell claims, California and the Red Lead mine, Tasmania American Mineralogist, 2012, 97, 1187-1192 |
9016687 | CIF | Ca1.325 K2 Mg0.67 O12 S3 | P 21 3 | 10.19; 10.19; 10.19 90; 90; 90 | 1058.09 | Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Yapaskurt, V. O.; Chukanov, N. V.; Belakovskiy, D. I.; Pushcharovsky, D. Y. Calciolangbeinite, K2Ca2(SO4)3, a new mineral from the Tolbachik volcano, Kamchatka, Russia Mineralogical Magazine, 2012, 76, 673-682 |
9016680 | CIF | Al1.356 Ca1.09 Ce0.42 Fe1.134 H La0.49 Mg0.05 Mn0.29 O13 Si3 Ti0.17 | P 1 21/m 1 | 8.938; 5.789; 10.153 90; 114.54; 90 | 477.884 | Kolitsch, U.; Mills, S. J.; Miyawaki, R.; Blass, G. Ferriallanite-(La), a new member of the epidote supergroup from the Eifel, Germany European Journal of Mineralogy, 2012, 24, 741-747 |
9016678 | CIF | H12 Li2 O20 Se2 U3 | P 1 21/c 1 | 7.5213; 7.0071; 17.3282 90; 98.834; 90 | 902.406 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 5 The Canadian Mineralogist, 2012, 50, 147-157 |
9016676 | CIF | Al1.46 Fe0.541 Mg1.001 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 240 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016670 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.784; 9.1338; 5.1924 90; 101.753; 90 | 454.291 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 15 K American Mineralogist, 2012, 97, 694-706 |
9016665 | CIF | Ca4.64 F3 Mn0.45 Na1.62 O15 Si4 Zr1.29 | P -1 | 10.973; 10.306; 7.367 90.03; 109.63; 90.11 | 784.696 | Bellezza, M.; Merlino, S.; Perchiazzi, N. Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain I The Canadian Mineralogist, 2012, 50, 531-548 |
9016658 | CIF | Mg1.96 O4 Si | F d -3 m :2 | 8.0746; 8.0746; 8.0746 90; 90; 90 | 526.457 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 143 K American Mineralogist, 2012, 97, 573-582 |
9016648 | CIF | Fe | F m -3 m | 3.484; 3.484; 3.484 90; 90; 90 | 42.29 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 22.34 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
9016639 | CIF | As Fe S | P 1 21/c 1 | 5.7612; 5.6841; 5.7674 90; 111.721; 90 | 175.456 | Bindi, L.; Moelo, Y.; Leone, P.; Suchaud, M. Stoichiometric arsenopyrite, FeAsS, from La Roche-Balue Quarry, Loire-Atlantique, France: Crystal structure and Mossbauer study The Canadian Mineralogist, 2012, 50, 471-479 |
9016637 | CIF | C4 H0.19 Ba Ca0.39 Ce0.66 F0.75 La0.7 Na0.61 Nd0.12 O12.19 Pr0.04 Sr0.46 | P 63/m m c | 5.1196; 5.1196; 23.1784 90; 90; 120 | 526.122 | Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Konev, A. A.; Raudsepp, M. Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 2 The Canadian Mineralogist, 2012, 50, 1281-1290 |
9016635 | CIF | Fe | F m -3 m | 3.495; 3.495; 3.495 90; 90; 90 | 42.692 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 19.82 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
9016634 | CIF | Al0.5 Nb0.5 O2 | C 1 2/m 1 | 12.1545; 3.735; 6.4884 90; 107.62; 90 | 280.735 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N00 American Mineralogist, 2012, 97, 910-917 |
9016625 | CIF | Mg1.88 O4 Si0.97 | F d -3 m :2 | 8.0947; 8.0947; 8.0947 90; 90; 90 | 530.398 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 635 K, split Si model American Mineralogist, 2012, 97, 573-582 |
9016616 | CIF | Ag16 As4 Cu0.213 Hg0.786 S15 | C 1 2 1 | 26.03; 15.059; 15.524 90; 90.45; 90 | 6085 | Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S. A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R110042 Mineralogical Magazine, 2012, 76, 551-566 |
9016613 | CIF | C0.805 H1.998 Al2.91 Ca0.81 Na2.915 O15.414 Si3.09 | P 63 | 12.613; 12.613; 5.124 90; 90; 120 | 705.954 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# mmf62633/2 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9016604 | CIF | C Ca0.001 O3 Pb | P m c n | 5.182; 8.4953; 6.1436 90; 90; 90 | 270.458 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist, 2012, 97, 707-712 |
9016602 | CIF | Fe2.48 Mg0.09 O4 Si0.43 | I m m a | 5.8506; 17.9793; 8.3779 90; 90; 90 | 881.269 | Woodland, A. B.; Angel, R. J.; Koch, M. Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8b1195, Spinelloid-II European Journal of Mineralogy, 2012, 24, 657-668 |
9016598 | CIF | Mg2 O4 Si | I m m a | 5.7214; 11.4789; 8.2924 90; 90; 90 | 544.607 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 728 K American Mineralogist, 2012, 97, 1582-1590 |
9016597 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9564; 7.9536; 5.7253 90; 90; 90 | 225.698 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 224 K American Mineralogist, 2012, 97, 707-712 |
9016596 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.9015; 8.4047; 5.4036 90; 110.637; 90 | 420.828 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAG American Mineralogist, 2012, 97, 1213-1218 |
9016593 | CIF | Ba0.001 Fe0.001 O4 S Sr0.966 | P b n m | 6.87032; 8.3603; 5.34732 90; 90; 90 | 307.139 | Antao, S. M. Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups American Mineralogist, 2012, 97, 661-665 |
9016592 | CIF | C Ba0.981 O3 Sr0.019 | P m c n | 5.3193; 8.9056; 6.4353 90; 90; 90 | 304.85 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist, 2012, 97, 707-712 |
9016577 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016575 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.5976; 12.5976; 5.1168 90; 90; 120 | 703.242 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-AIR) American Mineralogist, 2012, 97, 872-882 |
9016574 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.784; 9.1342; 5.1924 90; 101.754; 90 | 454.309 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 30 K American Mineralogist, 2012, 97, 694-706 |
9016572 | CIF | Fe0.087 Mg0.913 O3 Si | P b c a | 17.868; 8.491; 5.0565 90; 90; 90 | 767.158 | Zhang, J. S.; Dera, P.; Bass, J. D. A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 12.66 GPa American Mineralogist, 2012, 97, 1070-1074 |
9016564 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1696; 8.1696; 8.1696 90; 90; 90 | 545.258 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 360 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016563 | CIF | Cr2 O3 | R -3 c :H | 4.8273; 4.8273; 13.264 90; 90; 120 | 267.679 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 20.4 GPa American Mineralogist, 2012, 97, 1764-1770 |
9016554 | CIF | As0.024 Ca2.19 Mn1.978 Na0.81 O12 Si0.21 V2.781 | I a -3 d | 12.5433; 12.5433; 12.5433 90; 90; 90 | 1973.49 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
9016551 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.278; 12.278; 4.876 90; 90; 120 | 636.575 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 5.73 GPa American Mineralogist, 2012, 97, 872-882 |
9016540 | CIF | H18 Na2.76 Nb3 O26 Si4 | P 3 | 9.937; 9.937; 7.004 90; 90; 120 | 598.946 | Haring, M. M. M.; McDonald, A. M.; Cooper, M. A.; Poirier, G. A. Laurentianite, [NbO(H2O)]3(Si2O7)2[Na(H2O)2]3, a new mineral from Mont Saint-Hilaire, Quebec: description, crystal-structure determination and paragenesis The Canadian Mineralogist, 2012, 50, 1265-1280 |
9016533 | CIF | Al12 Ca5.515 Cl3 K2.505 Na7.5 O60 S3 Si12 | P 3 1 c | 12.7961; 12.7961; 21.4094 90; 90; 120 | 3035.92 | Ballirano, P.; Bosi, F. Thermal behavior of afghanite, an ABABACAC member of the cancrinite group American Mineralogist, 2012, 97, 630-640 |
9016511 | CIF | Al2 Cu0.7 Mg0.3 O4 | F d -3 m :2 | 8.0831; 8.0831; 8.0831 90; 90; 90 | 528.122 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl90dm American Mineralogist, 2012, 97, 1821-1827 |
9016506 | CIF | Fe | F m -3 m | 3.507; 3.507; 3.507 90; 90; 90 | 43.133 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 17.47 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
9016504 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1461; 8.1461; 8.1461 90; 90; 90 | 540.567 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 22,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016498 | CIF | Al H Na2 O9 Si3 | P -1 | 7.2474; 7.6813; 8.6432 90.835; 99.771; 122.581 | 396.295 | Williams, E. R.; Weller, M. T. A variable-temperature neutron diffraction study of ussingite; a strong asymmetric hydrogen bond in an aluminosilicate framework Note: T = 4 K Physics and Chemistry of Minerals, 2012, 39, 471-478 |
9016497 | CIF | Al2.916 H6 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9916; 6.9916; 17.621 90; 90; 120 | 745.958 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 450 C Mineralogical Magazine, 2012, 76, 613-623 |
9016487 | CIF | Al4 Ca2 H4.92 O19 Si4 | C 1 2/c 1 | 21.524; 8.667; 9.292 90; 91.067; 90 | 1733.11 | Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 150 C American Mineralogist, 2012, 97, 1866-1873 |
9016482 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.0545; 11.0545; 10.4131 90; 90; 120 | 1102.02 | Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D. Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 301 K American Mineralogist, 2012, 97, 1060-1069 |
9016480 | CIF | Fe | F m -3 m | 3.519; 3.519; 3.519 90; 90; 90 | 43.577 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 15.37 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
9016474 | CIF | Al1.459 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1704; 8.1704; 8.1704 90; 90; 90 | 545.419 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016471 | CIF | Ca8 O18 Si5 | P b c n | 5.0851; 11.4165; 28.6408 90; 90; 90 | 1662.71 | Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M. Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus American Mineralogist, 2012, 97, 503-512 |
9016467 | CIF | Mg1.92 O4 Si0.98 | F d -3 m :2 | 8.0777; 8.0777; 8.0777 90; 90; 90 | 527.064 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 243 K American Mineralogist, 2012, 97, 573-582 |
9016458 | CIF | As S | P 1 21/n 1 | 8.719; 12.634; 6.149 90; 107.1; 90 | 647.405 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 5.40 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
9016453 | CIF | C3 H2 K3 Na O12 U | P -6 2 c | 9.3; 9.3; 8.294 90; 90; 120 | 621.242 | Plasil, J.; Fejfarova, K.; Skala, R.; Skoda, R.; Meisser, N.; Hlousek, J.; Cisarova, I.; Dusek, M.; Veselovsky, F.; Cejka, J.; Sejkora, J.; Ondrus, P. The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample B Mineralogical Magazine, 2012, 76, 443-453 |
9016450 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.3382; 11.3382; 9.6584 90; 90; 120 | 1075.29 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.75 GPa American Mineralogist, 2012, 97, 1749-1763 |
9016449 | CIF | Fe1.04 Mg0.02 Mn1.87 Na0.18 O38 Pb0.61 Sr0.39 Ti7.02 U0.02 V7.74 Zn0.25 | R -3 :H | 10.3894; 10.3894; 20.8709 90; 90; 120 | 1950.98 | Mills, S. J.; Bindi, L.; Cadoni, M.; Kampf, A. R.; Ciriotti, M. E.; Ferraris, G. Paseroite, PbMn2+(Mn2+,Fe2+)2(V5+,Ti,Fe3+,_)18O38, a new member of the crichtonite group European Journal of Mineralogy, 2012, 24, 1061-1067 |
9016445 | CIF | Al2.889 H6 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9859; 6.9859; 17.481 90; 90; 120 | 738.825 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 300 C Mineralogical Magazine, 2012, 76, 613-623 |
9016439 | CIF | As8 S9 | P 1 2/c 1 | 9.9342; 9.5566; 9.1104 90; 102.397; 90 | 844.749 | Zoppi, M.; Pratesi, G. The dual behavior of the beta-As4S4 altered by light American Mineralogist, 2012, 97, 890-896 |
9016434 | CIF | Al2 Cu0.44 Mg0.56 O4 | F d -3 m :2 | 8.0846; 8.0846; 8.0846 90; 90; 90 | 528.416 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70bm American Mineralogist, 2012, 97, 1821-1827 |
9016433 | CIF | Mg1.92 O4 Si | F d -3 m :2 | 8.0889; 8.0889; 8.0889 90; 90; 90 | 529.259 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 396 K American Mineralogist, 2012, 97, 573-582 |
9016427 | CIF | Cr2 O3 | R -3 c :H | 4.605; 4.605; 12.854 90; 90; 120 | 236.063 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 70.4 GPa American Mineralogist, 2012, 97, 1764-1770 |
9016425 | CIF | Ag0.44 Bi13.19 Cu4 Pb12.27 S34 | C 1 2/m 1 | 37.432; 4.0529; 43.545 90; 108.8; 90 | 6253.69 | Ilinca, G.; Makovicky, E.; Topa, D.; Zagler, G. Cuproneyite, Cu7Pb27Bi25S68, a new mineral species from Baita Bihor, Romania The Canadian Mineralogist, 2012, 50, 353-370 |
9016416 | CIF | Al1.461 Fe0.54 Mg0.999 O4 | F d -3 m :2 | 8.1694; 8.1694; 8.1694 90; 90; 90 | 545.218 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 45 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016399 | CIF | Hg Pt2 Se3 | P -3 m 1 | 7.3477; 7.3477; 5.2955 90; 90; 90 | 285.897 | Vymazalova, A.; Laufek, F.; Drabek, M.; Cabral, A. R.; Haloda, J.; Sidorinova, T.; Lehmann, B.; Galbiatti, H. F.; Drahokoupil, J. Jacutingaite, Pt2HgSe3, a new platinum-group mineral species from the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil Localiy: the Caue iron-ore deposit, Itabira District, Minas Gerais, Brazil The Canadian Mineralogist, 2012, 50, 431-440 |
9016392 | CIF | Al2.892 H6 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9897; 6.9897; 17.574 90; 90; 120 | 743.564 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 400 C Mineralogical Magazine, 2012, 76, 613-623 |
9016388 | CIF | Fe S4 Sb2 | P n a m | 11.4164; 14.1705; 3.7632 90; 90; 90 | 608.796 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 0.0001 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
9016377 | CIF | Al2 Ca4.33 F13 Fe0.03 H24 Na0.12 O16 S | F d -3 :2 | 16.749; 16.749; 16.749 90; 90; 90 | 4698.58 | Vignola, P.; Hatert, F.; Bersani, D.; Diella, V.; Gentile, P.; Risplendente, A. Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy European Journal of Mineralogy, 2012, 24, 1069-1076 |
9016372 | CIF | C2 H2 Al1.7 Ba2 Ca F0.66 O18 Si2.98 V1.323 | C 1 2 1 | 5.205; 9.033; 32.077 90; 93.49; 90 | 1505.36 | Liu, J.; Li, G.; Mao, Q.; Wu, S.; Liu, Z.; Su, S.; Xiong, M.; Yu, X. Hanjiangite, a new barium-vanadium phyllosilicate carbonate mineral, from the Shiti barium deposit in the Dabashan region, China Note: data is taken from the deposited cif, which unfortunately does not agree with the published tables. American Mineralogist, 2012, 97, 281-290 |
9016370 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1478; 8.1478; 8.1478 90; 90; 90 | 540.905 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 765 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016368 | CIF | H6 Mg O6 Si | P 21 21 21 | 5.173; 5.21; 7.371 90; 89.88; 90 | 198.658 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048 |
9016364 | CIF | Al1.459 Fe0.539 Mg1.002 O4 | F d -3 m :2 | 8.1684; 8.1684; 8.1684 90; 90; 90 | 545.018 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 5340 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016363 | CIF | Al1.609 Fe0.389 Mg1.002 O4 | F d -3 m :2 | 8.1471; 8.1471; 8.1471 90; 90; 90 | 540.766 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 381 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016362 | CIF | Al1.99 Cu0.41 Mg0.59 O4 | F d -3 m :2 | 8.0852; 8.0852; 8.0852 90; 90; 90 | 528.533 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70aw American Mineralogist, 2012, 97, 1821-1827 |
9016361 | CIF | Bi9 Br4.272 Cl43.728 H21 K3.627 N17.373 | R -3 c :H | 13.093; 13.093; 102.682 90; 90; 120 | 15244.2 | Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M. Argesite, (NH4)7Bi3Cl16, a new mineral from La Fossa Crater, Vulcano, Aeolian Islands, Italy: A first example of the [Bi2Cl10]4- anion American Mineralogist, 2012, 97, 1446-1451 |
9016358 | CIF | Al36 Ca6.986 H3.76 K12.636 Na30.232 O169.914 S14.656 Si36 | R 3 2 :H | 12.877; 12.877; 95.244 90; 90; 120 | 13677.2 | Camara, F.; Bellatreccia, F.; Della Ventura, G.; Gunter, M. E.; Sebastiani, M.; Cavallo, A. Kircherite, a new mineral of the cancrinite-sodalite group with a 36-layer stacking sequence: Occurrence and crystal structure American Mineralogist, 2012, 97, 1494-1504 |
9016353 | CIF | C0.736 H1.998 Al2.7 Ca0.21 Na3.73 O15.207 Si3.3 | P 63 | 12.607; 12.607; 5.111 90; 90; 120 | 703.493 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# kir2343 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9016347 | CIF | Fe S4 Sb2 | P n a m | 11.034; 13.5152; 3.7136 90; 90; 90 | 553.797 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 4.89 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
9016343 | CIF | Al1.468 Fe0.53 Mg1.004 O4 | F d -3 m :2 | 8.1709; 8.1709; 8.1709 90; 90; 90 | 545.519 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 30 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016338 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9579; 7.9595; 5.7328 90; 90; 90 | 226.23 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 265 K American Mineralogist, 2012, 97, 707-712 |
9016336 | CIF | Al1.459 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016329 | CIF | Fe | F m -3 m | 3.48; 3.48; 3.48 90; 90; 90 | 42.144 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 25.01 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9016328 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016317 | CIF | Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09 | P 63/m | 9.3687; 9.3687; 6.8739 90; 90; 120 | 522.507 | Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J. A multi-domain gem-grade Brazilian apatite Note: single-crystal neutron at T = 130 K American Mineralogist, 2012, 97, 1574-1581 |
9016316 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1468; 8.1468; 8.1468 90; 90; 90 | 540.706 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016314 | CIF | Al0.56 Fe1.44 H14 Mn O16 P2 | P -1 | 10.277; 9.826; 7.205 90.077; 98.865; 118.442 | 629.77 | Grey, I. E.; Macrae, C. M.; Keck, E.; Birch, W. D. Aluminium-bearing strunzite derived from jahnsite at the Hagendorf-Sud pegmatite, Germany Mineralogical Magazine, 2012, 76, 1165-1174 |
9016270 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.8976; 8.3985; 5.402 90; 110.64; 90 | 420.219 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LAF_L_tr American Mineralogist, 2012, 97, 1213-1218 |
9016268 | CIF | Al7.728 B3 F0.14 H6 Mn1.272 Na0.674 O30.86 Si6 | R 3 m :H | 15.852; 15.852; 7.148 90; 90; 120 | 1555.55 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3h, heated in air at 750 C for 30 h American Mineralogist, 2012, 97, 1402-1416 |
9016267 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1475; 8.1475; 8.1475 90; 90; 90 | 540.845 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 67,020 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016265 | CIF | Mg O3 Si | P b c a | 17.897; 8.575; 5.0664 90; 90; 90 | 777.524 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 9.36(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
9016257 | CIF | Mg O3 Si | P b c a | 18.019; 8.668; 5.1073 90; 90; 90 | 797.703 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 5.21(7) GPa American Mineralogist, 2012, 97, 1741-1748 |
9016256 | CIF | Ba0.3 Ca0.7 Fe0.5 H18 K1.2 Mg0.15 Na0.15 O36 Si13 | P n m 21 | 6.538; 6.975; 37.26 90; 90; 90 | 1699.15 | Rastvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V. Crystal structure of gunterblassite, a new mineral with a triple tetrahedral layer Note: tetrahedral sites, Si8.83 Al3.06, but occupancies were not reported Doklady Chemistry, 2012, 442, 57-62 |
9016254 | CIF | Al5.295 B3 Ca0.06 F0.3 Fe3.705 H3.23 Na0.94 O30.7 Si6 | R 3 m :H | 16.0393; 16.0393; 7.2536 90; 90; 120 | 1616.05 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls1 American Mineralogist, 2012, 97, 1402-1416 |
9016246 | CIF | Ba1.5 Ca0.4 F1.6 Fe0.6 K0.3 Mg0.8 Mn0.2 Na1.9 Nb0.1 O16.4 Si4 Sr0.2 Ti2 | C 1 2/m 1 | 19.905; 7.098; 5.405 90; 96.349; 90 | 758.966 | Chukanov, N. V.; Pekov, I. V.; Rastsvetaeva, R. K.; Aksenov, S. M.; Zadov, A. E.; Van, K. V.; Blass, G.; Schuller, W.; Ternes, B. Lileyite, Ba2(Na,Fe,Ca)3MgTi2(Si2O7)2O2F2, a new lamprophyllite-group mineral from the Eifel volcanic area, Germany European Journal of Mineralogy, 2012, 24, 181-188 |
9016238 | CIF | Al1.608 Fe0.39 Mg O4 | F d -3 m :2 | 8.1463; 8.1463; 8.1463 90; 90; 90 | 540.606 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 960 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016228 | CIF | Cu3 H6 O11 V2 | I 1 2/a 1 | 10.6418; 5.8485; 14.4157 90; 95.443; 90 | 893.17 | Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z. Orbital Switching in a Frustrated Magnet Nature Communications, 2012, 3, 860-865 |
9016221 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.5689; 6.5689; 9.6804 90; 90; 120 | 361.751 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 3.56 GPa American Mineralogist, 2012, 97, 1749-1763 |
9016216 | CIF | Al7.767 B3 F0.57 H6 Mn1.233 Na0.666 O30.43 Si6 | R 3 m :H | 15.951; 15.951; 7.138 90; 90; 120 | 1572.83 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample mnelb3 American Mineralogist, 2012, 97, 1402-1416 |
9016214 | CIF | Pb10.15 S22 Sb7.85 | P 1 21/a 1 | 21.554; 23.454; 8.079 90; 100.76; 90 | 4012.35 | Ventruti, G.; Stasi, F.; Pinto, D.; Vurro, F.; Renna, M. The plumose boulangerite from Bottino, Apuan Alps, Italy: Crystal structure, OD character and twinning Note: MDO1 polytype The Canadian Mineralogist, 2012, 50, 181-199 |
9016213 | CIF | Cr2 O3 | R -3 c :H | 4.953; 4.953; 13.5884 90; 90; 120 | 288.693 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 0 GPa, data from Ovsyannikov and Dubrovinsky (2011) American Mineralogist, 2012, 97, 1764-1770 |
9016203 | CIF | As2.889 Ca2.01 Mg0.304 Mn1.696 Na0.99 O12 | I a -3 d | 12.4929; 12.4929; 12.4929 90; 90; 90 | 1949.8 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
9016195 | CIF | Co1.5 Cs H4 O26 Se2 U4 | C 1 2/c 1 | 8.744; 14.38; 17.901 90; 103.654; 90 | 2187.24 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 2 The Canadian Mineralogist, 2012, 50, 147-157 |
9016184 | CIF | Fe | F m -3 m | 3.504; 3.504; 3.504 90; 90; 90 | 43.022 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 20.64 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9016180 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.2004; 5.5529; 10.0423 90; 90; 90 | 903.397 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = .0001 GPa American Mineralogist, 2012, 97, 1165-1176 |
9016177 | CIF | As1.079 H6.74 O7.87 Zn2 | P 1 21/c 1 | 11.793; 9.1138; 6.8265 90; 103.859; 90 | 712.346 | Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Hawthorne, F. C.; Back, M. E.; Tait, K. T.; Schluter, J.; Malcherek, T.; Pohl, D.; Gebhard, G. Ianbruceite, ideally [Zn2(OH)(H2O)(AsO4)](H2O)2, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure Mineralogical Magazine, 2012, 76, 1119-1131 |
9016175 | CIF | Al1.61 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1481; 8.1481; 8.1481 90; 90; 90 | 540.965 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 46,161 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016172 | CIF | Ag0.507 Au1.49 Te4 | P m a 2 | 16.59; 8.867; 4.4886 90; 90; 90 | 660.289 | Dye, M. D.; Smyth, J. R. The crystal structure and genesis of krennerite, Au3AgTe8 The Canadian Mineralogist, 2012, 50, 119-127 |
9016167 | CIF | Ca Fe2 H16 Mg0.464 Mn O25 P4 Zn2.036 | P 1 21/c 1 | 6.3868; 21.26; 15.365 90; 90.564; 90 | 2086.21 | Kampf, A. R.; Mills, S. J.; Simmons, W. B.; Nizamoff, J. W.; Whitmore, R. W. Falsterite, Ca2MgMn2+2(Fe2+0.5Fe3+0.5)4Zn4(PO4)8(OH)4(H2O)14, a new secondary phosphate mineral from the Palermo No. 1 pegmatite, North Groton, New Hampshire American Mineralogist, 2012, 97, 496-502 |
9016165 | CIF | Al2 Co O4 | F d -3 m :2 | 8.1047; 8.1047; 8.1047 90; 90; 90 | 532.367 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl100 American Mineralogist, 2012, 97, 1834-1840 |
9016156 | CIF | Al4 Ca2 O17 Si4 | C 1 2/c 1 | 20.82; 9.35; 8.359 90; 78.86; 90 | 1596.56 | Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: T = 275 C American Mineralogist, 2012, 97, 1866-1873 |
9016153 | CIF | Mg O3 Si | P b c a | 18.105; 8.734; 5.1376 90; 90; 90 | 812.404 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 2.69(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
9016145 | CIF | Ag7.998 S3.897 Sn Te2.103 | F -4 3 m | 11.0003; 11.0003; 11.0003 90; 90; 90 | 1331.11 | Bindi, L.; Nestola, F.; Guastoni, A.; Zorzi, F.; Peruzzo, L.; Raber, T. Te-rich canfieldite, Ag8Sn(S,Te)6, from Lengenbach Quarry, Binntal, Canton Valais, Switzerland: Occurrence, description and crystal structure The Canadian Mineralogist, 2012, 50, 111-118 |
9016141 | CIF | Ca3 F3 K2.44 Mg3 Na6.56 O36 S9 | P 63/m c m | 16.6682; 16.6682; 6.9007 90; 90; 120 | 1660.36 | Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Ksenofontov, D. A.; Kabalov, Y. K.; Chukanov, N. V.; Yapaskurt, V. O.; Zadov, A. E.; Pushcharovsky, D. Y. Krasheninnikovite, KNa2CaMg(SO4)3F, a new mineral from the Tolbachik volcano, Kamchatka, Russia American Mineralogist, 2012, 97, 1788-1795 |
9016139 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.7838; 9.1349; 5.1929 90; 101.75; 90 | 454.385 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 50 K American Mineralogist, 2012, 97, 694-706 |
9016138 | CIF | Mg1.88 O4 Si0.98 | F d -3 m :2 | 8.1084; 8.1084; 8.1084 90; 90; 90 | 533.096 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 586 K American Mineralogist, 2012, 97, 573-582 |
9016133 | CIF | As S | P 1 21/n 1 | 9.164; 13.227; 6.47 90; 106.56; 90 | 751.714 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0.89 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
9016124 | CIF | As2 H14 Mg0.4 Ni0.6 O17 U2 | C 1 2/m 1 | 17.91; 6.985; 6.594 90; 99.89; 90 | 812.659 | Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Chukanov, N. V.; Bryzgalov, I. A.; Zadov, A. E. New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: II. Dymkovite, Ni(UO2)2(As3+O3)2*7H2O, a seelite-related arsenite European Journal of Mineralogy, 2012, 24, 923-930 |
9016123 | CIF | As2 H10 Mn3 O14 | P 1 | 5.5828; 9.766; 5.5455 94.467; 111.348; 93.85 | 279.26 | Callegari, A. M.; Boiocchi, M.; Ciriotti, M. E.; Balestra, C. Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate: crystal structure and relationships with bermanite and whitmoreite mineral groups American Mineralogist, 2012, 97, 727-734 |
9016111 | CIF | Mg1.84 O4 Si0.98 | F d -3 m :2 | 8.1031; 8.1031; 8.1031 90; 90; 90 | 532.051 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 685 K, split Si model American Mineralogist, 2012, 97, 573-582 |
9016110 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.8986; 8.4008; 5.4016 90; 110.648; 90 | 420.323 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LA2n_L_tr American Mineralogist, 2012, 97, 1213-1218 |
9016106 | CIF | O0.18 Pb13.44 S36 Sb15.56 | C 1 2/m 1 | 48.19; 4.11; 34.24 90; 106.059; 90 | 6516.97 | Topa, D.; Sejkora, J.; Makovicky, E.; Prsek, J.; Ozdin, D.; Putz, H.; Dittrich, H.; Karup-Moller S Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from the Low Tatra Mountains, Western Carpathians, Slovakia European Journal of Mineralogy, 2012, 24, 727-740 |
9016102 | CIF | Al2.964 H6.159 K0.876 Na0.071 O14.053 S2 | R -3 m :H | 6.9749; 6.9749; 17.315 90; 90; 120 | 729.506 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 25 C Mineralogical Magazine, 2012, 76, 613-623 |
9016101 | CIF | Al9.024 B6.288 Ca0.12 F0.69 Fe0.18 H6.31 Li1.38 Mn0.858 Na0.76 O42.31 Si5.712 Ti0.018 | R 3 m :H | 15.843; 15.843; 7.1051 90; 90; 120 | 1544.46 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLP1 European Journal of Mineralogy, 2012, 24, 695-715 |
9016100 | CIF | Ca3 O7 Si2 | I 2 c m | 11.4525; 5.0867; 21.9963 90; 90; 90 | 1281.4 | Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M. Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus American Mineralogist, 2012, 97, 503-512 |
9016096 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016095 | CIF | As S | P 1 21/n 1 | 8.873; 12.789; 6.251 90; 107; 90 | 678.349 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 3.53 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
9016092 | CIF | Fe3.797 H12 Mg1.203 Na0.365 O24 P4 | C 2 2 21 | 12.7997; 17.9081; 8.2112 90; 90; 90 | 1882.16 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V. Angarfite, NaFe3+5(PO4)4(OH)4*4H2O, a new mineral species from the Angarf-Sud pegmatite, Morocco: description and crystal structure The Canadian Mineralogist, 2012, 50, 781-791 |
9016090 | CIF | Al1.609 Fe0.39 Mg1.001 O4 | F d -3 m :2 | 8.1476; 8.1476; 8.1476 90; 90; 90 | 540.865 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 17,520 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016076 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1712; 8.1712; 8.1712 90; 90; 90 | 545.579 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 6141 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016072 | CIF | Al0.94 Cr0.06 Nb O4 | C 1 2/m 1 | 12.162; 3.7454; 6.491 90; 107.64; 90 | 281.772 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N06 American Mineralogist, 2012, 97, 910-917 |
9016053 | CIF | C0.5 Ca3 O25 S1.27 Si | P 63 | 11.07; 11.07; 10.4397 90; 90; 120 | 1107.93 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample Zb-01, single crystal Mineralogical Magazine, 2012, 76, 1133-1152 |
9016052 | CIF | Mg O3 Si | P b c a | 18.056; 8.692; 5.1192 90; 90; 90 | 803.421 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 4.19(4) GPa American Mineralogist, 2012, 97, 1741-1748 |
9016051 | CIF | Al1.463 Fe0.535 Mg1.002 O4 | F d -3 m :2 | 8.1704; 8.1704; 8.1704 90; 90; 90 | 545.419 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 6 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016034 | CIF | Al2.872 H3 K0.201 N0.78 O12 Si3.128 | C 1 2/c 1 | 9.024; 5.2055; 20.825 90; 99.995; 90 | 963.396 | Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E. Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample tob_7 American Mineralogist, 2012, 97, 1460-1468 |
9016033 | CIF | Ca Fe0.05 H4 K4 N2 Na4 O24 S4 | C 1 2/c 1 | 24.902; 5.3323; 17.246 90; 94.281; 90 | 2283.62 | Nestola, F.; Camara, F.; Chukanov, N. V.; Atencio, D.; Coutinho, J. M. V.; Contreira, R. R.; Farber, G. Witzkeite: A new rare nitrate-sulphate mineral from a guano deposit at Punta de Lobos, Chile American Mineralogist, 2012, 97, 1783-1787 |
9016029 | CIF | Al1.459 Fe0.54 Mg1.003 O4 | F d -3 m :2 | 8.1705; 8.1705; 8.1705 90; 90; 90 | 545.439 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 381 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016025 | CIF | Fe | F m -3 m | 3.475; 3.475; 3.475 90; 90; 90 | 41.963 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 24.37 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
9016021 | CIF | Al1.455 Fe0.545 Mg O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 17,520 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016007 | CIF | Al1.46 Fe0.54 Mg1.002 O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 339,180 min European Journal of Mineralogy, 2012, 24, 633-643 |
9016004 | CIF | Al1.61 Fe0.391 Mg1.001 O4 | F d -3 m :2 | 8.1465; 8.1465; 8.1465 90; 90; 90 | 540.646 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 189 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015971 | CIF | Al1.608 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1477; 8.1477; 8.1477 90; 90; 90 | 540.885 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 240 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015970 | CIF | Al2.73 Ba0.01 H2.86 K0.465 N0.36 Na0.03 O11.236 Si3.128 | C 1 2/c 1 | 9.027; 5.1999; 20.616 90; 100.113; 90 | 952.67 | Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E. Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample musc_4 American Mineralogist, 2012, 97, 1460-1468 |
9015967 | CIF | Cr H2 O2 | P n n m | 4.8623; 4.2972; 2.9567 90; 90; 90 | 61.778 | Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N. Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9 European Journal of Mineralogy, 2012, 24, 839-850 |
9015959 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.1353; 5.5062; 9.9432 90; 90; 90 | 883.396 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 2.945 GPa American Mineralogist, 2012, 97, 1165-1176 |
9015949 | CIF | Al Ca0.5 O4 Si | P 1 21 1 | 8.22; 8.951; 4.828 90; 90; 90 | 355.231 | Krivovichev, S. V.; Shcherbakova, E. P.; Nishanbaev, T. P. The crystal structure of svyatoslavite and evolution of complexity during crystallization of a CaAl2Si2O8 melt: A structural automata description The Canadian Mineralogist, 2012, 50, 585-592 |
9015946 | CIF | Al1.608 Fe0.389 Mg1.003 O4 | F d -3 m :2 | 8.1481; 8.1481; 8.1481 90; 90; 90 | 540.965 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3069 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015942 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9596; 7.9644; 5.7416 90; 90; 90 | 226.795 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, low-temperature experiment American Mineralogist, 2012, 97, 707-712 |
9015935 | CIF | Cs2 H4 O25 Se5 U4 | P 1 21/n 1 | 10.913; 12.427; 18.448 90; 90.393; 90 | 2501.78 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 6 The Canadian Mineralogist, 2012, 50, 147-157 |
9015930 | CIF | Al1.457 Fe0.539 Mg1.002 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015913 | CIF | Al8.37 B6.06 Ca0.05 F0.79 Fe1.122 H6.03 K0.01 Li1.182 Mn0.96 Na0.89 O42.21 Si5.868 Ti0.078 Zn0.018 | R 3 m :H | 15.9107; 15.9107; 7.1267 90; 90; 120 | 1562.42 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLG1 European Journal of Mineralogy, 2012, 24, 695-715 |
9015912 | CIF | Al7.392 B3.042 Ca0.02 F0.81 H3.19 Li0.78 Mn0.651 Na0.84 O30.19 Si5.922 Ti0.009 | R 3 m :H | 15.8887; 15.8887; 7.1202 90; 90; 120 | 1556.68 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MAP12 European Journal of Mineralogy, 2012, 24, 695-715 |
9015911 | CIF | Al2.06 Ca1.88 Cr0.6 Fe0.14 H2 K0.07 Mg4.06 Na O24 Si6.12 Ti0.02 | C 1 2/m 1 | 9.9176; 18.0057; 5.2865 90; 105.395; 90 | 910.155 | Nishio-Hamane D; Ohnishi, M.; Minakawa, T.; Yamaura, J.; Saito, S.; Kadota, R. Ehimeite, NaCa2Mg4CrSi6Al2O22(OH)2: The first Cr-dominant amphibole from the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2012, 107, 1-7 |
9015906 | CIF | Fe | F m -3 m | 3.477; 3.477; 3.477 90; 90; 90 | 42.035 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 25.72 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9015886 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9723; 7.9983; 5.7931 90; 90; 90 | 230.391 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 527 K American Mineralogist, 2012, 97, 707-712 |
9015880 | CIF | Fe3 H14 O16 P2 | P -1 | 7.989; 9.321; 4.629 97.34; 95.96; 108.59 | 320.184 | Chukanov, N. V.; Scholz, R.; Aksenov, S. M.; Rastsvetaeva, R. K.; Pekov, I. V.; Belakovskiy, D. I.; Krambrock, K.; Paniago, R. M.; Righi, A.; Martins, R. F.; Belotti, F. M.; Bermanec, V. Metavivianite, Fe2+Fe3+2(PO4)2(OH)2*6H2O: new data and formula revision Mineralogical Magazine, 2012, 76, 725-741 |
9015875 | CIF | C0.704 H2 Al2.28 Na3.702 O15.112 Si3.72 | P 63 m c | 12.584; 12.584; 5.101 90; 90; 120 | 699.557 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# u1631 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9015869 | CIF | Cr0.5 H12 O21.5 Pb5 Te3 | C 2 2 21 | 9.6646; 19.4962; 10.5101 90; 90; 90 | 1980.34 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite American Mineralogist, 2012, 97, 212-219 |
9015859 | CIF | Al1.898 Ca1.93 Fe0.05 H2 K0.06 Mg4.24 Mn0.57 Na1.8 O24 Pb0.134 Si6.372 | C 1 2/m 1 | 9.9448; 18.0171; 5.2829 90; 105.445; 90 | 912.387 | Halenius, U.; Bosi, F. Cation ordering in Pb2±bearing, Mn3±rich pargasite from Langban, Sweden American Mineralogist, 2012, 97, 1635-1640 |
9015858 | CIF | Mg2 O4 Si | I m m a | 5.7016; 11.4427; 8.2491 90; 90; 90 | 538.185 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 297 K American Mineralogist, 2012, 97, 1582-1590 |
9015854 | CIF | As2 Fe3 H27.12 Mo8 Na3.52 O50.56 | P n m b | 14.8866; 11.088; 15.056 90; 90; 90 | 2485.18 | Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Dini, M.; Birch, W. D.; Spratt, J.; Pluth, J. J.; Steele, I. M.; Jenkins, R. A.; Pinch, W. W. The heteropolymolybdate family: structural relations, nomenclature scheme and new species Mineralogical Magazine, 2012, 76, 1175-1207 |
9015852 | CIF | Ag As1.89 Mn1.76 Pb2.12 S12 Sb3.23 | P 1 21/n 1 | 19.233; 12.633; 8.476 90; 90.08; 90 | 2059.42 | Bindi, L.; Keutsch, F. N.; Bonazzi, P. Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, belonging to the lillianite series from the Uchucchacua polymetallic deposit, Lima Department, Peru Note site occupancy model I American Mineralogist, 2012, 97, 440-446 |
9015845 | CIF | Al1.46 Fe0.537 Mg1.001 O4 | F d -3 m :2 | 8.1703; 8.1703; 8.1703 90; 90; 90 | 545.399 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015830 | CIF | Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07 | P 1 2/a 1 | 15.02; 6.959; 10.137 90; 111.74; 90 | 984.199 | Yakovenchuk, V. N.; Keck, E.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Chernyatieva, A. P.; Ivanyuk, G. Y. Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany Mineralogical Magazine, 2012, 76, 2761-2771 |
9015811 | CIF | Al6.81 As0.093 B O17.884 Sb0.023 Si2.884 | P n m a | 4.6971; 11.8149; 20.2267 90; 90; 90 | 1122.5 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D21 The Canadian Mineralogist, 2012, 50, 855-872 |
9015809 | CIF | Mg O3 Si | P b c a | 18.204; 8.81; 5.1731 90; 90; 90 | 829.648 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.22(3) GPa American Mineralogist, 2012, 97, 1741-1748 |
9015808 | CIF | Ca H8 O15 Si4 V | P n m a | 9.6329; 13.6606; 9.7949 90; 90; 90 | 1288.92 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: room temperature American Mineralogist, 2012, 97, 1874-1880 |
9015806 | CIF | Al11 Fe0.783 H Mg4.217 O24 Ti | P 63 m c | 5.7105; 5.7105; 27.676 90; 90; 120 | 781.596 | Shimura, T.; Akai, J.; Lazic, B.; Armbruster, T.; Shimizu, M.; Kamei, A.; Tsukada, K.; Owada, M.; Yuhara, M. Magnesiohogbomite-2N4S: A new polysome from the central Sor Rondane Mountains, East Antarctica American Mineralogist, 2012, 97, 268-280 |
9015801 | CIF | Cs H5 O12 Se U2 | P -1 | 8.6877; 8.7164; 8.9589 95.964; 99.155; 117.318 | 582.847 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 3 The Canadian Mineralogist, 2012, 50, 147-157 |
9015800 | CIF | Al0.798 B3 Cr5.322 F0.46 H2.67 Mg2.073 Na O30.54 Si5.898 Ti0.039 V0.87 | R 3 m :H | 16.1121; 16.1121; 7.3701 90; 90; 120 | 1656.95 | Bosi, F.; Reznitskii, L.; Skogby, H. Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup American Mineralogist, 2012, 97, 2024-2030 |
9015797 | CIF | As S | C 1 2/c 1 | 9.967; 9.355; 8.921 90; 102.52; 90 | 812.025 | Zoppi, M.; Pratesi, G. The dual behavior of the beta-As4S4 altered by light American Mineralogist, 2012, 97, 890-896 |
9015784 | CIF | Al7.14 B3.06 Ca0.02 F0.41 H6.39 K0.01 Li0.54 Mn1.341 Na0.67 O30.59 Si5.94 Ti0.039 | R 3 m :H | 15.9461; 15.9461; 7.138 90; 90; 120 | 1571.87 | Bosi, F.; Skogby, H.; Agrosì G; Scandale, E. Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the standard tourmaline model American Mineralogist, 2012, 97, 989-994 |
9015782 | CIF | Al1.461 Fe0.537 Mg1.001 O4 | F d -3 m :2 | 8.1705; 8.1705; 8.1705 90; 90; 90 | 545.439 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 67,020 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015779 | CIF | Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 | I a -3 d | 11.5826; 11.5825; 11.5826 90; 90; 90 | 1553.87 | Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M. In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: uncorrected for pressure inside the diamond European Journal of Mineralogy, 2012, 24, 599-606 |
9015770 | CIF | Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 | R 3 m :H | 15.856; 15.856; 7.1079 90; 90; 120 | 1547.6 | Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V. A single-crystal neutron and X-ray diffraction study of elbaite Note: neutron data Physics and Chemistry of Minerals, 2012, 39, 577-588 |
9015764 | CIF | Ca O13.014 Si4 V | P n m a | 9.4746; 13.262; 9.605 90; 90; 90 | 1206.89 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 175 C American Mineralogist, 2012, 97, 1874-1880 |
9015763 | CIF | As Ni Rh | P 4/n m m :2 | 3.5498; 3.5498; 6.1573 90; 90; 90 | 77.589 | Vymazalova, A.; Laufek, F.; Drabek, M.; Stanley, C. J.; Baker, R. J.; Bermejo, R.; Garuti, G.; Thalhammer, O.; Proenza, J. A.; Longo, F. Zaccariniite, RhNiAs, a new platinum-group mineral from Loma Peguera, Dominican Republic The Canadian Mineralogist, 2012, 50, 1321-1329 |
9015759 | CIF | Al1.61 Fe0.39 Mg O4 | F d -3 m :2 | 8.146; 8.146; 8.146 90; 90; 90 | 540.547 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 93 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015756 | CIF | Al2 Cu0.78 Mg0.22 O4 | F d -3 m :2 | 8.0841; 8.0841; 8.0841 90; 90; 90 | 528.318 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl95b American Mineralogist, 2012, 97, 1821-1827 |
9015752 | CIF | Fe | F m -3 m | 3.509; 3.509; 3.509 90; 90; 90 | 43.207 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 19.70 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9015730 | CIF | Ag16 As4 Fe0.526 Hg0.474 S15 | C 1 2 1 | 26.011; 15.048; 15.513 90; 90.4; 90 | 6071.85 | Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S. A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R100124 Mineralogical Magazine, 2012, 76, 551-566 |
9015717 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9541; 7.9494; 5.7186 90; 90; 90 | 225.211 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 184 K American Mineralogist, 2012, 97, 707-712 |
9015716 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1685; 8.1685; 8.1685 90; 90; 90 | 545.038 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 2460 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015711 | CIF | As S | P 1 21/n 1 | 9.3272; 13.566; 6.5903 90; 106.433; 90 | 799.826 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
9015709 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1693; 8.1693; 8.1693 90; 90; 90 | 545.198 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 22,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015706 | CIF | C0.39 Al0.3 Ca3 O25 S1.57 Si0.7 | P 63 | 11.1178; 11.1178; 10.5381 90; 90; 120 | 1128.06 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3049, powder Mineralogical Magazine, 2012, 76, 1133-1152 |
9015705 | CIF | Al1.611 Fe0.388 Mg O4 | F d -3 m :2 | 8.1457; 8.1457; 8.1457 90; 90; 90 | 540.487 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015703 | CIF | B10 Cl2 H2 O19 Pb4 | P n n 2 | 11.376; 11.505; 6.5568 90; 90; 90 | 858.16 | Brugger, J.; Meisser, N.; Ansermat, S.; Krivovichev, S. V.; Kahlenberg, V.; Belton, D.; Ryan, C. G. Leucostaurite, Pb2[B5O9]Cl*0.5H2O, from the Atacama Desert: The first Pb-dominant member of the hilgardite group, and micro-determination of boron minerals by PIGE American Mineralogist, 2012, 97, 1206-1212 |
9015692 | CIF | Cr2 O3 | R -3 c :H | 4.714; 4.714; 13.029 90; 90; 120 | 250.738 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 44.8 GPa American Mineralogist, 2012, 97, 1764-1770 |
9015690 | CIF | Ca4.974 Cl0.06 F0.76 H0.18 Na0.026 O12.18 P2.844 S0.066 Si0.09 | P 63/m | 9.3687; 9.3687; 6.8739 90; 90; 120 | 522.507 | Baikie, T.; Schreyer, M. K.; Wong, C. L.; Pramana, S. S.; Klooster, W. T.; Ferraris, C.; McIntyre, G. J.; White, T. J. A multi-domain gem-grade Brazilian apatite Note: single-crystal X-ray at T = 100 K American Mineralogist, 2012, 97, 1574-1581 |
9015687 | CIF | Fe | F m -3 m | 3.494; 3.494; 3.494 90; 90; 90 | 42.655 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 22.44 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9015677 | CIF | Ca0.32 Ce0.01 Dy0.03 Er0.03 F0.17 Fe0.01 Gd0.01 Ho0.01 Mn0.01 Na0.39 Nb0.02 Nd0.01 O4.83 Si Sn0.01 Ti0.94 Tm0.01 V0.01 Y0.15 Yb0.03 | C 1 2/c 1 | 6.5691; 8.6869; 7.0924 90; 114.127; 90 | 369.372 | Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Hawthorne, F. C. Natrotitanite, ideally (Na0.5Y0.5)Ti(SiO4)O, a new mineral from the Verkhnee Espe deposit, Akjailyautas mountains, Eastern Kazakhstan district, Kazakhstan: description and crystal structure Mineralogical Magazine, 2012, 76, 37-44 |
9015670 | CIF | Fe S4 Sb2 | P n a m | 11.1063; 13.6291; 3.7249 90; 90; 90 | 563.834 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 3.72 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
9015664 | CIF | Al1.459 Fe0.537 Mg1.003 O4 | F d -3 m :2 | 8.1707; 8.1707; 8.1707 90; 90; 90 | 545.479 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 97,260 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015659 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0539; 5.4609; 9.8437 90; 90; 90 | 862.985 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 6.511 GPa American Mineralogist, 2012, 97, 1165-1176 |
9015654 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0271; 5.4473; 9.8119 90; 90; 90 | 856.622 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 7.766 GPa American Mineralogist, 2012, 97, 1165-1176 |
9015653 | CIF | Cr2 O3 | R -3 c :H | 4.8152; 4.8152; 13.242 90; 90; 120 | 265.897 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 24.1 GPa American Mineralogist, 2012, 97, 1764-1770 |
9015647 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1687; 8.1687; 8.1687 90; 90; 90 | 545.078 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015626 | CIF | Al2 Co0.07 Mg0.93 O4 | F d -3 m :2 | 8.0851; 8.0851; 8.0851 90; 90; 90 | 528.514 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl0.5 American Mineralogist, 2012, 97, 1834-1840 |
9015625 | CIF | Bi6.188 Cd0.812 In0.208 Pb3.792 S13.539 Se0.461 | P 1 21/m 1 | 15.4172; 4.0582; 20.8071 90; 98.031; 90 | 1289.05 | Borisov, S. V.; Pervukhina, N. V.; Magarill, S. A.; Kuratieva, N. V.; Bryzgalov, I. A.; Mozgova, N. N.; Chaplygin, I. V. The crystal structure of (Cd,In)-rich cannizzarite from Kudriavy Volcano, Iturup Island, Kuriles, Russia The Canadian Mineralogist, 2012, 50, 387-395 |
9015624 | CIF | Al2.916 H6.117 K0.876 Na0.071 O14.039 S2 | R -3 m :H | 6.9806; 6.9806; 17.425 90; 90; 120 | 735.341 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 200 C Mineralogical Magazine, 2012, 76, 613-623 |
9015620 | CIF | Al2 O4 Zn | F d -3 m :2 | 8.08514; 8.08514; 8.08514 90; 90; 90 | 528.521 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.000, Co content = 0.00 apfu American Mineralogist, 2012, 97, 1394-1401 |
9015611 | CIF | Fe0.183 Li0.91 Mn0.8 O4 P | P b n m | 4.736; 10.432; 6.088 90; 90; 90 | 300.783 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 1, colorless The Canadian Mineralogist, 2012, 50, 843-854 |
9015610 | CIF | Mg1.9 O4 Si0.99 | F d -3 m :2 | 8.0816; 8.0816; 8.0816 90; 90; 90 | 527.828 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 303 K American Mineralogist, 2012, 97, 573-582 |
9015600 | CIF | C Ca0.147 O3 Sr0.853 | P m c n | 5.0914; 8.3519; 5.9901 90; 90; 90 | 254.716 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist, 2012, 97, 707-712 |
9015594 | CIF | Al6.772 Ca6 Cl0.624 Fe0.228 O16.748 | I -4 3 d | 12.032; 12.032; 12.032 90; 90; 90 | 1741.86 | Galuskin, E. V.; Kusz, J.; Armbruster, T.; Bailau, R.; Galuskina, I. O.; Ternes, B.; Murashko, M. A reinvestigation of mayenite from the type locality, the Ettringer Bellerberg volcano near Mayen, Eifel district, Germany Mineralogical Magazine, 2012, 76, 707-716 |
9015592 | CIF | Al0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44 | C m c m | 14.15; 10.395; 7.529 90; 90; 90 | 1107.44 | Atencio, D.; Roberts, A. C.; Cooper, M. A.; Menezes, L. A. D.; Coutinho, J. M. V.; Stirling, J. A. R.; Venance, K. E.; Ball, N. A.; Moffatt, E.; Chaves, M. L. S. C.; Brandao, P. R. G.; Romano, A. W. Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: description and crystal structure Mineralogical Magazine, 2012, 76, 75-90 |
9015589 | CIF | Al2 Co0.48 Mg0.52 O4 | F d -3 m :2 | 8.0914; 8.0914; 8.0914 90; 90; 90 | 529.75 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl34 American Mineralogist, 2012, 97, 1834-1840 |
9015577 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1699; 8.1699; 8.1699 90; 90; 90 | 545.318 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015554 | CIF | C4 H0.03 Ba Ca0.39 Ce0.66 F0.89 La0.78 Na0.61 Nd0.08 O12.03 Pr0.02 Sr0.44 | P 63/m m c | 5.1182; 5.1182; 23.1785 90; 90; 120 | 525.836 | Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Konev, A. A.; Raudsepp, M. Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 1 The Canadian Mineralogist, 2012, 50, 1281-1290 |
9015553 | CIF | C0.437 H1.998 Al2.67 K0.15 Na3.43 O14.31 Si3.33 | P 63 | 12.683; 12.683; 5.19 90; 90; 120 | 723.006 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd15/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9015551 | CIF | Al2 Cu0.06 Mg0.94 O4 | F d -3 m :2 | 8.0858; 8.0858; 8.0858 90; 90; 90 | 528.651 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl15a2 American Mineralogist, 2012, 97, 1821-1827 |
9015539 | CIF | Al1.457 Fe0.544 Mg1.001 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 765 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015537 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.322; 12.322; 4.905 90; 90; 120 | 644.959 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 5.00 GPa American Mineralogist, 2012, 97, 872-882 |
9015529 | CIF | Fe | F m -3 m | 3.531; 3.531; 3.531 90; 90; 90 | 44.024 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 13.36 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
9015524 | CIF | O4 Pb S | P b n m | 6.95802; 8.48024; 5.39754 90; 90; 90 | 318.486 | Antao, S. M. Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups American Mineralogist, 2012, 97, 661-665 |
9015514 | CIF | Al2 Co0.34 Mg0.66 O4 | F d -3 m :2 | 8.0902; 8.0902; 8.0902 90; 90; 90 | 529.514 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl20 American Mineralogist, 2012, 97, 1834-1840 |
9015502 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.2984; 11.2984; 9.6051 90; 90; 120 | 1061.86 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 6.14 GPa American Mineralogist, 2012, 97, 1749-1763 |
9015501 | CIF | As2 Cu0.4 H8 O12 Zn2.6 | P -1 | 5.9756; 7.6002; 5.4471 84.2892; 90.492; 87.9958 | 245.988 | Hawthorne, F. C.; Cooper, M. A.; Abdu, Y. A.; Ball, N. A.; Back, M. E.; Tait, K. T. Davidlloydite, ideally Zn3(AsO4)2(H2O)4, a new arsenate mineral from the Tsumeb mine, Otjikoto (Oshikoto) region, Namibia: description and crystal structure Mineralogical Magazine, 2012, 76, 45-57 |
9015497 | CIF | Ag9 As6 Hg0.5 S12.14 Te1.86 | P -1 | 7.832; 8.606; 10.755 95.563; 95.88; 116.79 | 635.282 | Guastoni, A.; Bindi, L.; Nestola, F. Debattistiite, Ag9Hg0.5As6S12Te2, a new Te-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure Mineralogical Magazine, 2012, 76, 743-750 |
9015485 | CIF | Bi13.604 Cu0.842 Fe0.45 Pb7.25 S28 | P m c n | 4.0307; 22.7011; 54.6145 90; 90; 90 | 4997.3 | Topa, D.; Makovicky, E. Eclarite: New data and interpretations The Canadian Mineralogist, 2012, 50, 371-386 |
9015472 | CIF | H12 O21.5 Pb5 S0.5 Te3 | C 2 2 21 | 9.6581; 19.5833; 10.5027 90; 90; 90 | 1986.45 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rumsey, M. S.; Spratt, J. Lead-tellurium oxysalts from Otto Mountain near Baker, California: VII. Chromschieffelinite, Pb10Te6O20(OH)14(CrO4)(H2O)5, the chromate analog of schieffelinite American Mineralogist, 2012, 97, 212-219 |
9015470 | CIF | Al1.61 Fe0.39 Mg O4 | F d -3 m :2 | 8.1469; 8.1469; 8.1469 90; 90; 90 | 540.726 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015469 | CIF | Al Na O6 Si2 | I 1 2/a 1 | 13.7249; 13.527; 13.6938 90; 90.18; 90 | 2542.33 | Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V. The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0 GPa Mineralogical Magazine, 2012, 76, 129-142 |
9015465 | CIF | As S | P 1 21/n 1 | 9.003; 12.919; 6.318 90; 106.87; 90 | 703.221 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.14 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
9015449 | CIF | Al1.61 Fe0.39 Mg1.002 O4 | F d -3 m :2 | 8.1479; 8.1479; 8.1479 90; 90; 90 | 540.925 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 30 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015445 | CIF | Fe | F m -3 m | 3.557; 3.557; 3.557 90; 90; 90 | 45.004 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 11.66 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9015442 | CIF | Cr2 O3 | R -3 c :H | 4.674; 4.674; 12.941 90; 90; 120 | 244.836 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 55.1 GPa American Mineralogist, 2012, 97, 1764-1770 |
9015429 | CIF | Al1.463 Fe0.537 Mg O4 | F d -3 m :2 | 8.1697; 8.1697; 8.1697 90; 90; 90 | 545.278 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, Untreated European Journal of Mineralogy, 2012, 24, 633-643 |
9015425 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9596; 7.9644; 5.7416 90; 90; 90 | 226.795 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K American Mineralogist, 2012, 97, 707-712 |
9015409 | CIF | Al8 H1.12 Na7.69 O48.56 Si16 | R 3 :H | 18.468; 18.468; 11.601 90; 90; 120 | 3426.62 | Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V. The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0.9 GPa Mineralogical Magazine, 2012, 76, 129-142 |
9015406 | CIF | Fe | F m -3 m | 3.545; 3.545; 3.545 90; 90; 90 | 44.55 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 13.63 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9015403 | CIF | As S | P 1 21/n 1 | 8.876; 12.887; 6.272 90; 106.85; 90 | 686.622 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 2.82 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
9015369 | CIF | Al2 Co0.25 O4 Zn0.75 | F d -3 m :2 | 8.09014; 8.09014; 8.09014 90; 90; 90 | 529.503 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.025, Co content = 0.25 apfu American Mineralogist, 2012, 97, 1394-1401 |
9015366 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1472; 8.1472; 8.1472 90; 90; 90 | 540.786 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015364 | CIF | Ca3.841 F2.5 Fe0.402 Mn0.116 Na1.733 Nb0.461 O15.5 Si4 Ti0.539 Zr0.884 | P 1 21 1 | 10.80498; 10.25458; 7.28606 90; 109.117; 90 | 762.779 | Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609 |
9015363 | CIF | Mg1.9 O4 Si | F d -3 m :2 | 8.0931; 8.0931; 8.0931 90; 90; 90 | 530.084 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 443 K American Mineralogist, 2012, 97, 573-582 |
9015358 | CIF | Fe S4 Sb2 | P n a m | 10.9404; 13.3719; 3.6973 90; 90; 90 | 540.893 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 6.62 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
9015352 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.1466; 8.1466; 8.1466 90; 90; 90 | 540.666 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 35,340 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015341 | CIF | Mg1.92 O4 Si | F d -3 m :2 | 8.103; 8.103; 8.103 90; 90; 90 | 532.032 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 537 K American Mineralogist, 2012, 97, 573-582 |
9015340 | CIF | Cr H O2 | P 21 n m | 4.8623; 4.2972; 2.9567 90; 90; 90 | 61.778 | Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N. Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9 European Journal of Mineralogy, 2012, 24, 839-850 |
9015335 | CIF | Fe0.46 Mg0.04 Mn0.16 S Zn0.32 | P 63 m c | 3.8357; 3.8357; 6.3002 90; 90; 120 | 80.274 | Ma, C.; Beckett, J. R.; Rossman, G. R. Buseckite, (Fe,Zn,Mn)S, a new mineral from the Zaklodzie meteorite American Mineralogist, 2012, 97, 1226-1233 |
9015333 | CIF | F H Mg O | P n m a | 10.1299; 3.0723; 4.676 90; 90; 90 | 145.527 | Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D. Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Mineralogical Magazine, 2012, 76, 25-36 |
9015325 | CIF | Al0.76 Cr0.24 Nb O4 | C 1 2/m 1 | 12.1881; 3.7726; 6.5033 90; 107.7; 90 | 284.872 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N25 American Mineralogist, 2012, 97, 910-917 |
9015321 | CIF | Fe | F m -3 m | 3.485; 3.485; 3.485 90; 90; 90 | 42.326 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 24.19 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9015320 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9615; 7.9629; 5.7428 90; 90; 90 | 226.886 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, high-temperature experiment American Mineralogist, 2012, 97, 707-712 |
9015316 | CIF | C0.767 H1.998 Al2.82 Ca0.6 Na3.155 O15.3 Si3.18 | P 63 | 12.625; 12.625; 5.122 90; 90; 120 | 707.022 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz3/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9015315 | CIF | Al2.036 Ca1.16 Fe0.964 H Mn0.128 Nd0.712 O13 Si3 | P 1 21/m 1 | 8.8897; 5.7308; 10.101 90; 115.166; 90 | 465.751 | Skoda, R.; Cempirek, J.; Filip, J.; Novak, M.; Veselovsky, F.; Ctvrtlik, R. Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden American Mineralogist, 2012, 97, 983-988 |
9015304 | CIF | Al2 Cu0.12 Mg0.88 O4 | F d -3 m :2 | 8.0857; 8.0857; 8.0857 90; 90; 90 | 528.631 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl30bw American Mineralogist, 2012, 97, 1821-1827 |
9015302 | CIF | As Pb S4 Sb | P 1 21/c 1 | 8.527; 7.971; 20.102 90; 101.814; 90 | 1337.36 | Makovicky, E.; Topa, D.; Tajjedin, H.; Rastad, E.; Yaghubpur, A. The crystal structure of guettardite, PbAsSbS4, and the twinnite-guettardite problem The Canadian Mineralogist, 2012, 50, 253-265 |
9015294 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0796; 5.4721; 9.869 90; 90; 90 | 868.365 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 5.533 GPa American Mineralogist, 2012, 97, 1165-1176 |
9015291 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.169; 8.169; 8.169 90; 90; 90 | 545.138 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 960 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015285 | CIF | Mg1.9 O4 Si | F d -3 m :2 | 8.086; 8.086; 8.086 90; 90; 90 | 528.69 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 350 K American Mineralogist, 2012, 97, 573-582 |
9015284 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.447; 12.447; 5.006 90; 90; 120 | 671.662 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 2.33 GPa American Mineralogist, 2012, 97, 872-882 |
9015281 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0845; 5.477; 9.8785 90; 90; 90 | 870.245 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 5.145 GPa American Mineralogist, 2012, 97, 1165-1176 |
9015274 | CIF | Mg2 O4 Si | I m m a | 5.7321; 11.4998; 8.3163 90; 90; 90 | 548.194 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 929 K American Mineralogist, 2012, 97, 1582-1590 |
9015272 | CIF | Al2 Cu0.24 Mg0.76 O4 | F d -3 m :2 | 8.0867; 8.0867; 8.0867 90; 90; 90 | 528.827 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl50bw American Mineralogist, 2012, 97, 1821-1827 |
9015271 | CIF | Al2.46 Cu2.86 H36 O36 Sb3 Zn3.68 | R -3 :H | 5.34; 5.34; 88.01 90; 90; 120 | 2173.43 | Mills, S. J.; Christy, A. G.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V. Zincalstibite-9R: the first nine-layer polytype with the layered double hydroxide structure-type Mineralogical Magazine, 2012, 76, 1337-1345 |
9015268 | CIF | Al8.64 B4.2 H3 Li0.36 Na0.76 O31 Si4.8 | R 3 m :H | 15.723; 15.723; 7.068 90; 90; 120 | 1513.21 | Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-11 American Mineralogist, 2012, 97, 1591-1597 |
9015267 | CIF | Cu3 Mo1.94 O9 S0.06 | P n m a | 7.6638; 6.867; 14.5554 90; 90; 90 | 766.012 | Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Polekhovsky, Y. S.; Pushcharovsky, D. Y. Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from the Tolbachik volcano, Kamchatka Peninsula, Russia European Journal of Mineralogy, 2012, 24, 749-757 |
9015264 | CIF | Cl F O Pb2 | I 4/m m m | 4.065; 4.065; 12.631 90; 90; 90 | 208.717 | Turner, R. W.; Siidra, O. I.; Krivovichev, S. V.; Stanley, C. J.; Spratt, J. Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride mineral with the parent crystal structure for layered lead oxychlorides Mineralogical Magazine, 2012, 76, 1247-1255 |
9015259 | CIF | Al7.29 Fe0.71 H42 O48 P6 | P 1 21/n 1 | 10.604; 16.608; 20.647 90; 98.848; 90 | 3592.9 | Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Spratt, J.; Favreau, G. The crystal structure determination and redefinition of matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O Mineralogical Magazine, 2012, 76, 517-534 |
9015258 | CIF | Fe | F m -3 m | 3.533; 3.533; 3.533 90; 90; 90 | 44.099 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 15.58 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9015256 | CIF | Al2.01 Cu0.01 Mg0.99 O4 | F d -3 m :2 | 8.0853; 8.0853; 8.0853 90; 90; 90 | 528.553 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl05b American Mineralogist, 2012, 97, 1821-1827 |
9015247 | CIF | Mg1.8 O4 Si0.97 | F d -3 m :2 | 8.1115; 8.1115; 8.1115 90; 90; 90 | 533.708 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 736 K, split Si model American Mineralogist, 2012, 97, 573-582 |
9015246 | CIF | Ca O12.18 Si4 V | P n m a | 9.39; 13.11; 9.39 90; 90; 90 | 1155.94 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 350 C American Mineralogist, 2012, 97, 1874-1880 |
9015245 | CIF | Al6.591 B3.018 Ca0.05 F0.58 Fe1.896 H3.18 K0.01 Li0.069 Mg0.228 Mn0.288 Na0.76 O30.42 Si5.772 Ti0.12 Zn0.009 | R 3 m :H | 15.987; 15.987; 7.163 90; 90; 120 | 1585.47 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK12 European Journal of Mineralogy, 2012, 24, 695-715 |
9015242 | CIF | Ca3 H30 O25.66 S1.82 Si | P 63/m | 11.1548; 11.1548; 10.5702 90; 90; 120 | 1139.04 | Chukanov, N. V.; Britvin, S. N.; Van, K. V.; Mockel, S.; Zadov, A. E. Kottenheimite, Ca3Si(OH)6(SO4)2*12H2O, a new member of the ettringite group from the Eifel area, Germany Rhineland-Palatinate, Germany The Canadian Mineralogist, 2012, 50, 55-63 |
9015226 | CIF | Ca9 F0.96 O17.04 Si4 | P 21/b 1 1 | 5.0687; 11.3579; 15.4004 100.598; 90; 90 | 871.474 | Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S. Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia American Mineralogist, 2012, 97, 1998-2006 |
9015218 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1482; 8.1482; 8.1482 90; 90; 90 | 540.985 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 1533 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015214 | CIF | Mg1.84 O4 Si0.93 | F d -3 m :2 | 8.143; 8.143; 8.143 90; 90; 90 | 539.95 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 736 K American Mineralogist, 2012, 97, 573-582 |
9015211 | CIF | Al7.23 B3 Ca0.06 F0.54 Fe0.42 H3.46 Li1.02 Mg0.06 Mn0.18 Na0.73 O30.46 Si6 | R 3 m :H | 15.856; 15.856; 7.1079 90; 90; 120 | 1547.6 | Diego Gatta, G.; Danisi, R. M.; Adamo, I.; Meven, M.; Diella, V. A single-crystal neutron and X-ray diffraction study of elbaite Note: X-ray data Physics and Chemistry of Minerals, 2012, 39, 577-588 |
9015207 | CIF | Fe Ge3 H4 O10 Pb | P 1 21/m 1 | 5.8279; 13.615; 6.3097 90; 127.314; 90 | 398.184 | Origlieri, M. J.; Yang, H.; Downs, R. T.; Posner, E. S.; Domanik, K. J.; Pinch, W. W. The crystal structure of bartelkeite, with a revised chemical formula, PbFeGeVI(GeIV2O7)(OH)2*H2O, isotypic with high-pressure P21/m lawsonite American Mineralogist, 2012, 97, 1812-1815 |
9015202 | CIF | Al1.609 Fe0.388 Mg1.001 O4 | F d -3 m :2 | 8.1476; 8.1476; 8.1476 90; 90; 90 | 540.865 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015198 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.514; 12.514; 5.034 90; 90; 120 | 682.71 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 1.39 GPa American Mineralogist, 2012, 97, 872-882 |
9015194 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.5518; 6.5518; 9.6503 90; 90; 120 | 358.751 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.28 GPa American Mineralogist, 2012, 97, 1749-1763 |
9015183 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.1477; 8.1477; 8.1477 90; 90; 90 | 540.885 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1680 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015182 | CIF | Cu29 S16 | P -1 | 13.409; 13.4051; 15.4852 90.022; 90.021; 90.02 | 2783.45 | Mumme, W. G.; Gable, R. W.; Petricek, V. The crystal structure of roxbyite, Cu58S32 The Canadian Mineralogist, 2012, 50, 423-430 |
9015179 | CIF | Al1.608 Fe0.388 Mg1.002 O4 | F d -3 m :2 | 8.1483; 8.1483; 8.1483 90; 90; 90 | 541.005 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 6141 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015172 | CIF | Fe0.2 Li0.84 Mn0.8 O4 P | P b n m | 4.7403; 10.4145; 6.0795 90; 90; 90 | 300.132 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 3, yellow The Canadian Mineralogist, 2012, 50, 843-854 |
9015170 | CIF | As2.847 Ca2.1 Mg1.762 Mn0.238 Na0.9 O12 Si0.12 | I a -3 d | 12.345; 12.345; 12.345 90; 90; 90 | 1881.37 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
9015166 | CIF | Fe | F m -3 m | 3.569; 3.569; 3.569 90; 90; 90 | 45.461 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 8.02 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
9015141 | CIF | Ag As1.89 Mn1.6 Pb2.28 S12 Sb3.15 | P 1 21/n 1 | 19.233; 12.633; 8.476 90; 90.08; 90 | 2059.42 | Bindi, L.; Keutsch, F. N.; Bonazzi, P. Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt, belonging to the lillianite series from the Uchucchacua polymetallic deposit, Lima Department, Peru Note site occupancy model II American Mineralogist, 2012, 97, 440-446 |
9015138 | CIF | H15.716 K3.762 O41.858 Si10 U4 | C 1 2/m 1 | 14.1957; 14.2291; 9.6305 90; 111.578; 90 | 1808.95 | Fejfarova, K.; Plasil, J.; Yang, H.; Cejka, J.; Dusek, M.; Downs, R. T.; Barkley, M. C.; Skoda, R. Revision of the crystal structure and chemical formula of weeksite, K2(UO2)2(Si5O13)*4H2O American Mineralogist, 2012, 97, 750-754 |
9015135 | CIF | Ca0.824 F Mn0.725 Na1.176 O8 Si2 Ti1.075 Zr0.2 | P 1 21/a 1 | 10.8044; 9.7945; 7.0532 90; 108.056; 90 | 709.639 | Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609 |
9015126 | CIF | Al2 Cu O4 | F d -3 m :2 | 8.0793; 8.0793; 8.0793 90; 90; 90 | 527.377 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl100h American Mineralogist, 2012, 97, 1821-1827 |
9015109 | CIF | Al1.462 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 15 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015105 | CIF | Fe | F m -3 m | 3.498; 3.498; 3.498 90; 90; 90 | 42.802 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 21.57 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9015096 | CIF | Al2.925 H6.147 K0.876 Na0.071 O14.049 S2 | R -3 m :H | 6.9771; 6.9771; 17.36 90; 90; 120 | 731.864 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 100 C Mineralogical Magazine, 2012, 76, 613-623 |
9015063 | CIF | Ag0.29 As1.73 Pb2.956 S18 Sb7.794 Tl1.23 | P -1 | 8.0929; 8.761; 22.497 90.868; 97.247; 90.793 | 1581.96 | Orlandi, P.; Biagioni, C.; Bonaccorsi, E.; Moelo, Y.; Paar, W. H. Lead-antimony sulfosalts from Tuscany (Italy). XII. Boscardinite, TiPb4(Sb7As2)S9S18, a new mineral species from the Monte Arsiccio mine: Occurrence and crystal structure Monte Arsiccio, near Sant'Anna di Stazzema, Apuan Alps, Tuscany, Italy The Canadian Mineralogist, 2012, 50, 235-251 |
9015062 | CIF | Al2 As2 H18 Mg O18 | P -1 | 5.4363; 10.5; 7.075 97.701; 110.295; 102.021 | 360.987 | Meisser, N.; Brugger, J.; Krivovichev, S.; Armbruster, T.; Favreau, G. Description and crystal structure of maghrebite, MgAl2(AsO4)2(OH)2*8H2O, from Aghbar, Anti-Atlas, Morocco: first arsenate in the laueite mineral group European Journal of Mineralogy, 2012, 24, 717-726 |
9015061 | CIF | Al6.79 B O18 Si3 | P n m a | 4.6995; 11.779; 20.1671 90; 90; 90 | 1116.36 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D67 The Canadian Mineralogist, 2012, 50, 855-872 |
9015051 | CIF | Al1.46 Fe0.537 Mg1.002 O4 | F d -3 m :2 | 8.1698; 8.1698; 8.1698 90; 90; 90 | 545.298 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 35,340 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015046 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.6031; 6.6031; 9.71 90; 90; 120 | 366.645 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 2.14 GPa American Mineralogist, 2012, 97, 1749-1763 |
9015034 | CIF | C0.2 H2.912 Al0.4 O3.056 Zn0.6 | R -3 m :H | 3.06616; 3.06616; 22.6164 90; 90; 120 | 184.138 | Lozano, R. P.; Rossi, C.; La Iglesia, A.; Matesanz, E. Zaccagnaite-3R, a new Zn-Al hydrotalcite polytype from El Soplao cave (Cantabria, Spain) Note: polytype zaccagnaite-3R American Mineralogist, 2012, 97, 513-523 |
9015031 | CIF | Dy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12 | I -4 2 d | 6.947; 6.947; 6.133 90; 90; 90 | 295.984 | Malcherek, T.; Mihailova, B.; Schluter, J.; Husdal, T. Atelisite-(Y), a new rare earth defect silicate of the KDP structure type European Journal of Mineralogy, 2012, 24, 1053-1060 |
9015025 | CIF | Al Ca0.66 F5 | C 1 2/c 1 | 8.601; 6.2903; 7.219 90; 114.61; 90 | 355.091 | Balic-Zunic T; Garavelli, A.; Mitolo, D.; Acquafredda, P.; Leonardsen, E. Jakobssonite, CaAlF5, a new mineral from fumaroles at the Eldfell and Hekla volcanoes, Iceland Mineralogical Magazine, 2012, 76, 751-760 |
9015023 | CIF | Mg1.92 O4 Si0.98 | F d -3 m :2 | 8.0976; 8.0976; 8.0976 90; 90; 90 | 530.969 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 489 K American Mineralogist, 2012, 97, 573-582 |
9015020 | CIF | Al1.46 Fe0.538 Mg O4 | F d -3 m :2 | 8.1701; 8.1701; 8.1701 90; 90; 90 | 545.359 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 3 min European Journal of Mineralogy, 2012, 24, 633-643 |
9015019 | CIF | Fe | F m -3 m | 3.49; 3.49; 3.49 90; 90; 90 | 42.509 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 23.17 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9015010 | CIF | Cl3 Fe0.52 Na21.48 O40 S10 | I -4 3 d | 15.882; 15.882; 15.882 90; 90; 90 | 4006.04 | Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M. D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles Mineralogical Magazine, 2012, 76, 2773-2783 |
9014990 | CIF | Al1.463 Fe0.537 Mg1.002 O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014989 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1465; 8.1465; 8.1465 90; 90; 90 | 540.646 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 21 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014985 | CIF | Mg1.86 O4 Si0.94 | F d -3 m :2 | 8.1031; 8.1031; 8.1031 90; 90; 90 | 532.051 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 685 K American Mineralogist, 2012, 97, 573-582 |
9014984 | CIF | Al6.696 B3 F0.03 Fe1.2 H3.91 Li0.009 Mg1.032 Mn0.039 Na0.49 O30.97 Si5.952 Ti0.009 | R 3 m :H | 15.9476; 15.9476; 7.1578 90; 90; 120 | 1576.53 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK42 European Journal of Mineralogy, 2012, 24, 695-715 |
9014983 | CIF | Mg O3 Si | P b c a | 17.933; 8.595; 5.0766 90; 90; 90 | 782.477 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.26(6) GPa American Mineralogist, 2012, 97, 1741-1748 |
9014978 | CIF | Ag4 As5.78 S15 Sb1.22 Tl5 | P -1 | 8.92; 9.429; 20.062 79.66; 88.84; 62.72 | 1471.6 | Bindi, L.; Nestola, F.; Guastoni, A.; Peruzzo, L.; Ecker, M.; Carampin, R. Raberite, Ti5Ag4As6SbS15, a new Ti-bearing sulfosalt from Lengenbach quarry, Binn valley, Switzerland: description and crystal structure Mineralogical Magazine, 2012, 76, 1153-1163 |
9014977 | CIF | Fe0.093 Mg0.908 O3 Si | P 1 21/c 1 | 17.87; 8.526; 4.9485 90; 92.88; 90 | 752.999 | Zhang, J. S.; Dera, P.; Bass, J. D. A new high-pressure phase transition in natural Fe-bearing orthoenstatite Note: P = 14.26 GPa American Mineralogist, 2012, 97, 1070-1074 |
9014976 | CIF | Ca4.71 F3 Mn0.67 Na1.62 O15 Si4 Ti0.26 Zr0.74 | P -1 | 10.934; 10.991; 7.366 109.43; 109.6; 83.56 | 786.429 | Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609 |
9014974 | CIF | B11 Ca0.301 H7 O22 Sr1.699 | P 1 21 1 | 6.7127; 20.704; 6.6276 90; 119.209; 90 | 803.98 | Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: high-T polytype veatchite-1M, formally known as veatchite-p American Mineralogist, 2012, 97, 489-495 |
9014973 | CIF | As2.544 Ca2.01 Mg0.446 Mn1.554 Na0.99 O12 V0.456 | I a -3 d | 12.4829; 12.4829; 12.4829 90; 90; 90 | 1945.12 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
9014967 | CIF | As Fe2 H19 O18 S | P -1 | 7.549; 10.305; 10.904 115.136; 99.798; 92.864 | 749.581 | Majzlan, J.; Lazic, B.; Armbruster, T.; Johnson, M. B.; White, M. A.; Fisher, R. A.; Plasil, J.; Loun, J.; Skoda, R.; Novak, M. Crystal structure, thermodynamic properties, and paragenesis of bukovskyite, Fe2(AsO4)(SO4)(OH)*9H2O Journal of Mineralogical and Petrological Sciences, 2012, 107, 133-148 |
9014961 | CIF | As Cl2 H O3 Pb2 | P 1 21/m 1 | 6.4235; 5.5399; 9.321 90; 90.767; 90 | 331.663 | Siidra, O. I.; Chukanov, N. V.; Pekov, I. V.; Krivovichev, S. V.; Magganas, A.; Katerinopoulos, A.; Voudouris, P. Pb2(AsO2OH)Cl2, a new phase from the Lavrion ancient slags, Greece: occurrence and characterization Mineralogical Magazine, 2012, 76, 597-602 |
9014959 | CIF | Al1.611 Fe0.391 Mg O4 | F d -3 m :2 | 8.1473; 8.1473; 8.1473 90; 90; 90 | 540.806 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = Untreated min European Journal of Mineralogy, 2012, 24, 633-643 |
9014956 | CIF | Ba O9 Si3 Ti | P 3 1 c | 11.3177; 11.3177; 9.6293 90; 90; 120 | 1068.17 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 5.29 GPa American Mineralogist, 2012, 97, 1749-1763 |
9014938 | CIF | Ca0.002 Fe0.01 Mn0.993 S | F -4 3 m | 5.601; 5.601; 5.601 90; 90; 90 | 175.71 | Ma, C.; Beckett, J. R.; Rossman, G. R. Browneite, MnS, a new sphalerite-group mineral from the Zaklodzie meteorite American Mineralogist, 2012, 97, 2056-2059 |
9014929 | CIF | Ca O14.249 Si4 V | P n m a | 9.609; 13.6833; 9.7559 90; 90; 90 | 1282.73 | Danisi, R. M.; Armbruster, T.; Lazic, B. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 75 C American Mineralogist, 2012, 97, 1874-1880 |
9014927 | CIF | Al6 B3 Ca0.05 F0.038 Fe0.231 H3.42 K0.01 Mg2.769 Na0.711 O30.962 Si6 | R 3 m :H | 15.921; 15.921; 7.175 90; 90; 120 | 1575.05 | Bacik, P.; Uher, P.; Ertl, A.; Jonsson, E.; Nysten, P.; Kanicky, V.; Vaculovic, T. Zoned REE-enriched dravite from a granitic pegmatite in Forshammar Bergslagen Province, Sweden: An EMPA, XRD and LA-ICP-MS study Sample: TSW an3 (rim) The Canadian Mineralogist, 2012, 50, 825-841 |
9014926 | CIF | Ag As Mn S3 | P 43 2 2 | 5.4496; 5.4496; 32.949 90; 90; 90 | 978.524 | Bonazzi, P.; Keutsch, F. N.; Bindi, L. Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua polymetallic deposit, Lima Department, Peru: Description and crystal structure American Mineralogist, 2012, 97, 1199-1205 |
9014925 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.6094; 6.6094; 9.7239 90; 90; 120 | 367.871 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 1.12 GPa American Mineralogist, 2012, 97, 1749-1763 |
9014923 | CIF | Al1.463 Fe0.538 Mg1.003 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 120 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014921 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.785; 9.1324; 5.1924 90; 101.751; 90 | 454.271 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 4 K American Mineralogist, 2012, 97, 694-706 |
9014904 | CIF | C0.771 H1.998 Al2.91 Ca0.6 Na3.255 O15.312 Si3.09 | P 63 | 12.617; 12.617; 5.129 90; 90; 120 | 707.091 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# mmf28962 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9014903 | CIF | Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3 | I a -3 d | 11.6044; 11.6044; 11.6044 90; 90; 90 | 1562.67 | Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M. In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: Parameters transformed to room conditions from pressure effect of diamond European Journal of Mineralogy, 2012, 24, 599-606 |
9014902 | CIF | F H O Zn | P n m a | 10.228; 3.1125; 4.7165 90; 90; 90 | 150.148 | Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D. Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Note: transformed from Serier et al (2007) Mineralogical Magazine, 2012, 76, 25-36 |
9014899 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.266; 12.266; 4.864 90; 90; 120 | 633.768 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 6.16 GPa American Mineralogist, 2012, 97, 872-882 |
9014896 | CIF | Al1.61 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1465; 8.1465; 8.1465 90; 90; 90 | 540.646 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014889 | CIF | Ba0.985 Ca0.002 Mg0.002 O4 S Sr0.007 | P b n m | 7.15505; 8.88101; 5.45447 90; 90; 90 | 346.599 | Antao, S. M. Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups American Mineralogist, 2012, 97, 661-665 |
9014887 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9692; 7.9873; 5.7796 90; 90; 90 | 229.395 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 471 K American Mineralogist, 2012, 97, 707-712 |
9014886 | CIF | Fe O7 Ti3 | I m m 2 | 9.9522; 2.7397; 5.9953 90; 90; 90 | 163.468 | Nishio-Hamane D; Zhang, M.; Yagi, T.; Ma, Y. High-pressure and high-temperature phase transitions in FeTiO3 and a new dense FeTi3O7 structure Note: P = 61 GPa, T = 300 K American Mineralogist, 2012, 97, 568-572 |
9014885 | CIF | Al0.76 Cr0.24 Nb O4 | C 1 2/m 1 | 12.1886; 3.7748; 6.5033 90; 107.72; 90 | 285.018 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N37 American Mineralogist, 2012, 97, 910-917 |
9014883 | CIF | Al8.61 B3.546 H3 Li0.39 Na0.68 O31 Si5.454 | R 3 m :H | 15.765; 15.765; 7.083 90; 90; 120 | 1524.53 | Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-13 American Mineralogist, 2012, 97, 1591-1597 |
9014870 | CIF | Fe S4 Sb2 | P n a m | 11.1825; 13.753; 3.7359 90; 90; 90 | 574.555 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 2.63 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
9014860 | CIF | Mg O3 Si | P b c a | 18.158; 8.78; 5.1574 90; 90; 90 | 822.23 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 1.23(4) GPa American Mineralogist, 2012, 97, 1741-1748 |
9014859 | CIF | Fe0.85 Mg0.49 Mn1.66 O8 P2 | P 1 21/c 1 | 6.088; 4.814; 10.484 90; 89.42; 90 | 307.245 | Hatert, F.; Roda-Robles E; de Parseval, P.; Wouters, J. Zavaliaite, (Mn2+,Fe2+,Mg)3(PO4)2, a new member of the sarcopside group from La Empleada pegmatite, San Luis Province, Argentina The Canadian Mineralogist, 2012, 50, 1445-1452 |
9014857 | CIF | H6 Mg O6 Si | P 21 21 21 | 4.976; 5.023; 7.115 90; 89.89; 90 | 177.835 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from P2_12_12_1 American Mineralogist, 2012, 97, 1043-1048 |
9014856 | CIF | Ca4.25 F Fe0.18 Na1.57 Nb0.57 O17 Si4 Zr1.43 | P 1 21 1 | 10.836; 10.27; 7.296 90; 109.13; 90 | 767.103 | Bellezza, M.; Merlino, S.; Perchiazzi, N. Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain II The Canadian Mineralogist, 2012, 50, 531-548 |
9014851 | CIF | Fe | F m -3 m | 3.473; 3.473; 3.473 90; 90; 90 | 41.89 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 26.55 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9014847 | CIF | Cs2 H9.5 O37.75 Se4 U7 | P 1 21/m 1 | 9.1381; 15.0098; 15.1732 90; 91.171; 90 | 2080.74 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 4 The Canadian Mineralogist, 2012, 50, 147-157 |
9014846 | CIF | Mg1.84 O4 Si0.95 | F d -3 m :2 | 8.1164; 8.1164; 8.1164 90; 90; 90 | 534.676 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 635 K American Mineralogist, 2012, 97, 573-582 |
9014836 | CIF | Al6 As0.078 Bi0.276 Ca8.935 Cl0.4 Mn4.579 O38.63 Si9 | P 4/n n c :2 | 15.5948; 15.5948; 11.7794 90; 90; 90 | 2864.72 | Groat, L. A.; Evans, R. J. Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 1 American Mineralogist, 2012, 97, 1627-1634 |
9014833 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9638; 7.9698; 5.7545 90; 90; 90 | 227.651 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 359 K American Mineralogist, 2012, 97, 707-712 |
9014831 | CIF | Al1.611 Fe0.39 Mg O4 | F d -3 m :2 | 8.1472; 8.1472; 8.1472 90; 90; 90 | 540.786 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 52,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014828 | CIF | Fe2.16 Mg0.31 O4 Si0.53 | I m m a | 5.8319; 11.8873; 8.3522 90; 90; 90 | 579.021 | Woodland, A. B.; Angel, R. J.; Koch, M. Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 8f5v0128, Spinelloid-III European Journal of Mineralogy, 2012, 24, 657-668 |
9014826 | CIF | Al2 Co O4 | F d -3 m :2 | 8.10559; 8.10559; 8.10559 90; 90; 90 | 532.542 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.072, Co content = 1.00 apfu American Mineralogist, 2012, 97, 1394-1401 |
9014824 | CIF | Cr2 O3 | R -3 c :H | 4.69; 4.69; 12.972 90; 90; 120 | 247.106 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 50.2 GPa American Mineralogist, 2012, 97, 1764-1770 |
9014822 | CIF | Ag Pb S6 Sb3 | P 1 21/c 1 | 19.1686; 17.16; 13.042 90; 90.008; 90 | 4289.95 | Nespolo, M.; Ozawa, T.; Kawasaki, Y.; Sugiyama, K. Structural relations and pseudosymmetries in the andorite homologous series Journal of Mineralogical and Petrological Sciences, 2012, 107, 226-243 |
9014821 | CIF | Al1.61 Fe0.389 Mg1.001 O4 | F d -3 m :2 | 8.1479; 8.1479; 8.1479 90; 90; 90 | 540.925 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 120 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014819 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.62; 12.62; 5.083 90; 90; 120 | 701.083 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.0001 GPa (P-DAC) American Mineralogist, 2012, 97, 872-882 |
9014816 | CIF | Al2 Co0.75 O4 Zn0.25 | F d -3 m :2 | 8.10011; 8.10011; 8.10011 90; 90; 90 | 531.463 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.049, Co content = 0.75 apfu American Mineralogist, 2012, 97, 1394-1401 |
9014810 | CIF | Cr2 O3 | R -3 c :H | 4.8949; 4.8949; 13.432 90; 90; 120 | 278.714 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 8.1 GPa American Mineralogist, 2012, 97, 1764-1770 |
9014800 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.386; 12.386; 4.954 90; 90; 120 | 658.186 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 3.59 GPa American Mineralogist, 2012, 97, 872-882 |
9014789 | CIF | Fe | F m -3 m | 3.521; 3.521; 3.521 90; 90; 90 | 43.651 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 17.59 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9014785 | CIF | Mg1.88 O4 Si0.96 | F d -3 m :2 | 8.0947; 8.0947; 8.0947 90; 90; 90 | 530.398 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 635 K American Mineralogist, 2012, 97, 573-582 |
9014784 | CIF | Fe H4 K3 O19 S4 Ti | C 1 2/c 1 | 7.55943; 16.7923; 12.1783 90; 94.076; 90 | 1542.01 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Williams, P. A.; Dini, M. Alcaparrosaite, K3Ti4+Fe3+(SO4)4O(H2O)2, a new hydrophobic Ti4+ sulfate from Alcaparrosa, Chile Mineralogical Magazine, 2012, 76, 851-861 |
9014779 | CIF | As1.78 H20 Mg0.31 Ni0.69 O22 P0.22 U2 | I -1 | 7.1; 7.125; 19.955 92.406; 94.924; 90.42 | 1004.8 | Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Bryzgalov, I. A.; Zadov, A. E.; Chukanov, N. V. New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: I. Rauchite, Ni(UO2)2(AsO4)2*10H2O, a member of the autunite group European Journal of Mineralogy, 2012, 24, 913-922 |
9014762 | CIF | Ce0.6 Fe0.366 O22 Si4 Sr3.4 Ti3.724 Zr0.91 | C 1 2/m 1 | 13.973; 5.6984; 11.988 90; 114.1; 90 | 871.327 | Yang, Z.; Giester, G.; Ding, K.; Tillmanns, E. Hezuolinite, (Sr,REE)4Zr(Ti,Fe3+,Fe2+)2Ti2O8(Si2O7)2, a new mineral species of the chevkinite group from Saima alkaline complex, Liaoning Province, NE China European Journal of Mineralogy, 2012, 24, 189-196 |
9014759 | CIF | As0.132 Ca2.19 Mn1.978 Na0.81 O12 Si0.18 V2.7 | I a -3 d | 12.5359; 12.5359; 12.5359 90; 90; 90 | 1970 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
9014752 | CIF HKL | C3 H10 Mg9 O48 Pb8 Si10 | C 1 2 1 | 16.232; 9.373; 14.06 90; 97.36; 90 | 2121.5 | Kolitsch, U.; Merlino, S.; Holtstam, D. Molybdophyllite: crystal chemistry, crystal structure, OD character and modular relationships with britvinite Mineralogical Magazine, 2012, 76, 493-516 |
9014747 | CIF | In19 S19.6 Se21.4 Sn12 | C 1 2/m 1 | 56.29; 3.924; 15.916 90; 102.56; 90 | 3431.43 | Topa, D.; Makovicky, E. Structures and classification of indium sulfosalts, and the crystal structure of Sn12In19(Se,S)41 The Canadian Mineralogist, 2012, 50, 397-422 |
9014742 | CIF | Al1.45 Fe0.55 Mg O4 | F d -3 m :2 | 8.1706; 8.1706; 8.1706 90; 90; 90 | 545.459 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1680 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014739 | CIF | B Cs O6 Si2 | I 41/a c d :2 | 13.019; 13.019; 12.899 90; 90; 90 | 2186.31 | Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.; Sokolova, E.; Hawthorne, F. C. Kirchhoffite, CsBSi2O6, a new mineral species from the Darai-Pioz Alkaline Massif,Tajikistan: Description and crystal structure The Canadian Mineralogist, 2012, 50, 523-529 |
9014735 | CIF | Al2 Co0.5 O4 Zn0.5 | F d -3 m :2 | 8.09491; 8.09491; 8.09491 90; 90; 90 | 530.44 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.035, Co content = 0.50 apfu American Mineralogist, 2012, 97, 1394-1401 |
9014729 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.176; 5.5342; 10.0007 90; 90; 90 | 895.275 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 1.144 GPa American Mineralogist, 2012, 97, 1165-1176 |
9014722 | CIF | C0.736 H1.998 Al2.79 Ca0.27 Na3.7 O15.207 Si3.21 | P 63 | 12.618; 12.618; 5.116 90; 90; 120 | 705.411 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# 11/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9014717 | CIF | Al1.462 Fe0.537 Mg O4 | F d -3 m :2 | 8.169; 8.169; 8.169 90; 90; 90 | 545.138 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 93 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014715 | CIF | Al1.61 Fe0.391 Mg0.999 O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 6 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014712 | CIF | Cu3 H8 Mo O8 | P 1 21/m 1 | 9.9904; 5.9934; 5.5255 90; 97.428; 90 | 328.071 | Yang, H.; Jenkins, R. A.; Thompson, R. M.; Downs, R. T.; Evans, S. H.; Bloch, E. M. Markascherite, Cu3(MoO4)(OH)4, a new mineral species polymorphic with szenicsite, from Copper Creek, Pinal County, Arizona, U.S.A. American Mineralogist, 2012, 97, 197-202 |
9014710 | CIF | Nb1.32 O18 Sb5 Ta1.28 Ti0.16 W1.24 | C 1 2/c 1 | 54.116; 4.9143; 5.5482 90; 90.425; 90 | 1475.46 | Hawthorne, F. C.; Cooper, M. A.; Ball, N. A.; Abdu, Y. A.; Cerny, P.; Camara, F.; Laurs, B. M. Billwiseite, ideally Sb3+5(Nb,Ta)3WO18, a new oxide mineral species from the Stak Nala Pegmatite, Nanga Parbat - Haramosh Massif, Pakistan: description and crystal structure The Canadian Mineralogist, 2012, 50, 805-814 |
9014708 | CIF | Al2.796 K0.876 Na0.071 O14 S2 | R -3 m :H | 6.9935; 6.9935; 17.64 90; 90; 120 | 747.168 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 500 C Mineralogical Magazine, 2012, 76, 613-623 |
9014701 | CIF | C Ca O3 | C 1 2/c 1 | 12.17; 7.12; 9.47 90; 118.37; 90 | 722.026 | Mugnaioli, E.; Andrusenko, I.; Schuler, T.; Loges, N.; Dinnebier, R. E.; Panthofer, M.; Tremel, W.; Kolb, U. Ab-initio-Strukturbestimmung von Vaterit mit automatischer Beugungstomographie Angewandte Chemie, 2012, 124, 1-6 |
9014693 | CIF | Fe S4 Sb2 | P n a m | 11.2796; 13.9181; 3.7359 90; 90; 90 | 586.501 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 1.41 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
9014689 | CIF | As0.154 Cu1.368 Fe2.148 H24 Mg0.222 Ni2.262 O24 Sb1.846 | P -3 | 5.3506; 5.3506; 19.5802 90; 90; 120 | 485.459 | Mills, S. J.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Pasero, M.; Biagioni, C.; Merlino, S.; Berbain, C.; Orlandi, P. Omsite, (Ni,Cu)2Fe3+(OH)6[Sb(OH)6], a new member of the cualstibite group from Oms, France Mineralogical Magazine, 2012, 76, 1347-1354 |
9014688 | CIF | H12 O10 S Zn | C 1 2/c 1 | 9.9692; 7.2441; 24.2493 90; 98.488; 90 | 1732.05 | Anderson, J. L.; Peterson, R. C.; Swainson, I. The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O American Mineralogist, 2012, 97, 1905-1914 |
9014684 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.7993; 9.1491; 5.1991 90; 101.891; 90 | 456.122 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 298 K American Mineralogist, 2012, 97, 694-706 |
9014678 | CIF | As S | P 1 21/n 1 | 9.065; 13.03; 6.375 90; 106.77; 90 | 720.971 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 1.55 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
9014672 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.7848; 9.1369; 5.1936 90; 101.764; 90 | 454.569 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 100 K American Mineralogist, 2012, 97, 694-706 |
9014651 | CIF | H3 K O8 S U | P 1 21/c 1 | 8.0462; 7.9256; 11.3206 90; 107.726; 90 | 687.651 | Plasil, J.; Hlousek, J.; Veselovsky, F.; Fejfarova, K.; Dusek, M.; Skoda, R.; Novak, M.; Cejka, J.; Sejkora, J.; Ondrus, P. Adolfpateraite, K(UO2)(SO4)(OH)(H2O), a new uranyl, sulphate mineral from Jachymov, Czech Republic American Mineralogist, 2012, 97, 447-454 |
9014650 | CIF | As1.38 Ca2.04 Mn1.936 Na0.96 O12 Si0.03 V1.563 | I a -3 d | 12.5342; 12.5342; 12.5342 90; 90; 90 | 1969.2 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
9014648 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.53; 12.53; 5.072 90; 90; 120 | 689.623 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.99 GPa American Mineralogist, 2012, 97, 872-882 |
9014644 | CIF | B Be2 F0.04 H0.96 O3.96 | P b c a | 9.762; 12.201; 4.43 90; 90; 90 | 527.64 | Gatta, G. D.; McIntyre, G. J.; Bromiley, G.; Guastoni, A.; Nestola, F. A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F) American Mineralogist, 2012, 97, 1891-1897 |
9014642 | CIF | C0.721 H1.998 Al2.76 Ca0.45 Na3.31 O15.162 Si3.24 | P 63 | 12.618; 12.618; 5.144 90; 90; 120 | 709.272 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz5/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9014637 | CIF | Al1.61 Fe0.39 Mg O4 | F d -3 m :2 | 8.1457; 8.1457; 8.1457 90; 90; 90 | 540.487 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 2460 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014621 | CIF | Al8 Be Fe0.885 Mg1.73 O16 Sn0.063 Zn0.322 | P 63 m c | 5.6978; 5.6978; 18.373 90; 90; 120 | 516.565 | Yang, Z.; Ding, K.; De Fourestier, J.; Mao, Q.; Li, H. Ferrotaaffeite-2N'2S, a new mineral species, and the crystal structure of Fe2±rich magnesiotaaffeite-2N'2S from the Xianghualing tin-polymetallic ore field, Hunan Province, China The Canadian Mineralogist, 2012, 50, 21-29 |
9014618 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9667; 7.9775; 5.768 90; 90; 90 | 228.539 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 415 K American Mineralogist, 2012, 97, 707-712 |
9014615 | CIF | Cr H2 O2 | P n n m | 4.8691; 4.3184; 2.9594 90; 90; 90 | 62.226 | Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N. Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run #630 European Journal of Mineralogy, 2012, 24, 839-850 |
9014605 | CIF | Fe | F m -3 m | 3.555; 3.555; 3.555 90; 90; 90 | 44.928 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 9.90 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
9014594 | CIF | Cr2 O3 | R -3 c :H | 4.756; 4.756; 13.109 90; 90; 120 | 256.793 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 35.4 GPa American Mineralogist, 2012, 97, 1764-1770 |
9014591 | CIF | Fe | F m -3 m | 3.583; 3.583; 3.583 90; 90; 90 | 45.998 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 8.36 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9014588 | CIF | Al2 Co0.63 Mg0.37 O4 | F d -3 m :2 | 8.0957; 8.0957; 8.0957 90; 90; 90 | 530.595 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl50 American Mineralogist, 2012, 97, 1834-1840 |
9014587 | CIF | Fe S4 Sb2 | P n a m | 10.9015; 13.3136; 3.69 90; 90; 90 | 535.56 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 7.41 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
9014583 | CIF | Al5.466 B3 Ca0.03 Fe3.534 Na0.97 O31 Si6 | R 3 m :H | 15.917; 15.917; 7.252 90; 90; 120 | 1591.15 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2h1, heated in air at 700 C for 10 h American Mineralogist, 2012, 97, 1402-1416 |
9014567 | CIF | As2 Fe0.08 H7 Mg0.05 Mn0.05 O12 Zn2.82 | P n m a | 10.804; 19.003; 5.112 90; 90; 90 | 1049.54 | Neuhold, F.; Kolitsch, U.; Bernhardt, H. J.; Lengauer, C. L. Arsenohopeite, a new zinc arsenate mineral from the Tsumeb mine, Namibia Mineralogical Magazine, 2012, 76, 603-612 |
9014561 | CIF | Cs H4 Ni1.5 O26 Se2 U4 | C 1 2/c 1 | 8.755; 14.228; 17.927 90; 103.739; 90 | 2169.2 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 1 The Canadian Mineralogist, 2012, 50, 147-157 |
9014548 | CIF | Al1.458 Fe0.541 Mg1.001 O4 | F d -3 m :2 | 8.1697; 8.1697; 8.1697 90; 90; 90 | 545.278 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 21 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014542 | CIF | As2 Ca1.928 Fe3 H48.352 Mg Mo8 Na0.072 O61.176 | C 1 2/m 1 | 19.5336; 11.0637; 15.2559 90; 131.528; 90 | 2468.25 | Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Dini, M.; Birch, W. D.; Spratt, J.; Pluth, J. J.; Steele, I. M.; Jenkins, R. A.; Pinch, W. W. The heteropolymolybdate family: structural relations, nomenclature scheme and new species Mineralogical Magazine, 2012, 76, 1175-1207 |
9014540 | CIF | Fe | F m -3 m | 3.527; 3.527; 3.527 90; 90; 90 | 43.875 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 16.63 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9014538 | CIF | Ca1.98 Fe2.76 H20 Mn0.14 O32 Si8 | C 1 2/m 1 | 14.319; 17.825; 5.242 90; 103.5; 90 | 1300.98 | Chukanov, N. V.; Britvin, S. N.; Blass, G.; Belakovskiy, D. I.; Van, K. V. Windhoekite, Ca2Fe3+3-x(Si8O20)(OH)4*10H2O, a new palygorskite-group mineral from the Aris phonolite, Namibia Note: the chemical formula for this mineral cannot be obtained from the crystal structure. The structure is missing two oxygens, and the OH positions were not given. European Journal of Mineralogy, 2012, 24, 171-179 |
9014537 | CIF | Mg1.84 O4 Si0.91 | F d -3 m :2 | 8.1115; 8.1115; 8.1115 90; 90; 90 | 533.708 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 736 K American Mineralogist, 2012, 97, 573-582 |
9014535 | CIF | Mg O3 Si | P b c a | 17.982; 8.633; 5.0926 90; 90; 90 | 790.568 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 6.57(5) GPa American Mineralogist, 2012, 97, 1741-1748 |
9014534 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.58; 12.58; 5.058 90; 90; 120 | 693.219 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 0.76 GPa American Mineralogist, 2012, 97, 872-882 |
9014529 | CIF | Ca4.52 F3 Mn0.41 Na1.88 O15 Si4 Zr1.19 | P -1 | 10.97; 10.943; 7.365 109.63; 109.65; 83.39 | 784.247 | Bellezza, M.; Merlino, S.; Perchiazzi, N. Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain IV The Canadian Mineralogist, 2012, 50, 531-548 |
9014526 | CIF | Al1.61 Fe0.392 Mg1.001 O4 | F d -3 m :2 | 8.1457; 8.1457; 8.1457 90; 90; 90 | 540.487 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 5340 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014516 | CIF | H6 Mg O6 Si | P 1 21 1 | 5.148; 5.252; 7.404 90; 89.88; 90 | 200.184 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from Pnam American Mineralogist, 2012, 97, 1043-1048 |
9014511 | CIF | Al2 Co0.76 Mg0.25 O4 | F d -3 m :2 | 8.101; 8.101; 8.101 90; 90; 90 | 531.638 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl67 American Mineralogist, 2012, 97, 1834-1840 |
9014510 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.17; 8.17; 8.17 90; 90; 90 | 545.339 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014508 | CIF | Al2 Co0.25 Mg0.75 O4 | F d -3 m :2 | 8.0875; 8.0875; 8.0875 90; 90; 90 | 528.984 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl14 American Mineralogist, 2012, 97, 1834-1840 |
9014505 | CIF | O3 Ti1.67 | P b c a | 9.781; 9.778; 9.815 90; 90; 90 | 938.693 | Ma, C.; Tschauner, O.; Beckett, J. R.; Rossman, G. R.; Liu, W. Panguite, (Ti4+,Sc,Al,Mg,Zr,Ca)1.8O3, a new ultra-refractory titania mineral from the Allende meteorite: Synchrotron micro-diffraction and EBSD American Mineralogist, 2012, 97, 1219-1225 |
9014502 | CIF | C3 H2 K2.463 Na1.537 O12 U | P -6 2 c | 9.2507; 9.2507; 8.1788 90; 90; 120 | 606.135 | Plasil, J.; Fejfarova, K.; Skala, R.; Skoda, R.; Meisser, N.; Hlousek, J.; Cisarova, I.; Dusek, M.; Veselovsky, F.; Cejka, J.; Sejkora, J.; Ondrus, P. The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample A Mineralogical Magazine, 2012, 76, 443-453 |
9014501 | CIF | Mg2 O4 Si | I m m a | 5.7391; 11.5134; 8.335 90; 90; 90 | 550.748 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 1084 K American Mineralogist, 2012, 97, 1582-1590 |
9014499 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1478; 8.1478; 8.1478 90; 90; 90 | 540.905 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 60 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014497 | CIF | Fe0.18 Li0.76 Mn0.8 O4 P | P b n m | 4.767; 10.403; 6.072 90; 90; 90 | 301.117 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 4, orange The Canadian Mineralogist, 2012, 50, 843-854 |
9014495 | CIF | Ca3 O25 S2 Si | P 63 | 11.106; 11.106; 10.492 90; 90; 120 | 1120.74 | Pekov, I. V.; Chukanov, N. V.; Britvin, S. N.; Kabalov, Y. K.; Gottlicher, J.; Yapaskurt, V. O.; Zadov, A. E.; Krivovichev, S. V.; Schuller, W.; Ternes, B. The sulfite anion in ettringite-group minerals: a new mineral species hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite solid-solution series Note: sample G-3231, single crystal Mineralogical Magazine, 2012, 76, 1133-1152 |
9014477 | CIF | Al4 Ca2 H10 O21 Si4 | C 1 2/c 1 | 21.5474; 8.75638; 9.30578 90; 91.5524; 90 | 1755.14 | Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L. Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: room temperature American Mineralogist, 2012, 97, 1866-1873 |
9014476 | CIF | Fe | F m -3 m | 3.595; 3.595; 3.595 90; 90; 90 | 46.462 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 6.81 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9014473 | CIF | Cl6 H10.02 Mg2 O18.02 Pb14 | P m m 2 | 5.8034; 11.3574; 12.9393 90; 90; 90 | 852.849 | Rumsey, M. S.; Krivovichev, S. V.; Siidra, O. I.; Kirk, C. A.; Stanley, C. J.; Spratt, J. Rickturnerite, Pb7O4[Mg(OH)4](OH)Cl3, a complex new lead oxychloride mineral Mineralogical Magazine, 2012, 76, 59-73 |
9014471 | CIF | Mg1.94 O4 Si | F d -3 m :2 | 8.0756; 8.0756; 8.0756 90; 90; 90 | 526.653 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 193 K American Mineralogist, 2012, 97, 573-582 |
9014465 | CIF | Al1.457 Fe0.541 Mg O4 | F d -3 m :2 | 8.1712; 8.1712; 8.1712 90; 90; 90 | 545.579 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 1533 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014464 | CIF | Al6 B3 H3 Li1.152 Mn1.848 Na0.754 O31 Si6 | R 3 m :H | 15.9461; 15.9461; 7.138 90; 90; 120 | 1571.87 | Bosi, F.; Skogby, H.; Agrosì G; Scandale, E. Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the split atom model American Mineralogist, 2012, 97, 989-994 |
9014463 | CIF | Mg1.88 O4 Si0.95 | F d -3 m :2 | 8.1279; 8.1279; 8.1279 90; 90; 90 | 536.951 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 685 K American Mineralogist, 2012, 97, 573-582 |
9014457 | CIF | Al1.61 Fe0.389 Mg0.999 O4 | F d -3 m :2 | 8.1465; 8.1465; 8.1465 90; 90; 90 | 540.646 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 360 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014454 | CIF | Fe | F m -3 m | 3.551; 3.551; 3.551 90; 90; 90 | 44.777 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 12.71 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9014450 | CIF | Fe2.38 Mg0.17 O4 Si0.45 | I m m a | 5.8448; 17.9749; 8.3771 90; 90; 90 | 880.096 | Woodland, A. B.; Angel, R. J.; Koch, M. Structural systematics of spinel and spinelloid phases in the system MFe2O4-M2SiO4 with M = Fe2+ and Mg Sample: 4f8v0095, Spinelloid-II European Journal of Mineralogy, 2012, 24, 657-668 |
9014447 | CIF | Mg O3 Si | P b c a | 17.916; 8.59; 5.0726 90; 90; 90 | 780.665 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 8.65(7) GPa American Mineralogist, 2012, 97, 1741-1748 |
9014440 | CIF | C0.722 H1.998 Al2.67 Ca0.09 Na3.91 O15.165 Si3.33 | P 63 | 12.606; 12.606; 5.118 90; 90; 120 | 704.345 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# Kovd5 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9014432 | CIF | Cr2 O3 | R -3 c :H | 4.8645; 4.8645; 13.355 90; 90; 120 | 273.685 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 14.0 GPa American Mineralogist, 2012, 97, 1764-1770 |
9014430 | CIF | Al1.46 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.17; 8.17; 8.17 90; 90; 90 | 545.339 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 189 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014418 | CIF | Al2 Co0.11 Mg0.89 O4 | F d -3 m :2 | 8.084; 8.084; 8.084 90; 90; 90 | 528.298 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl10 American Mineralogist, 2012, 97, 1834-1840 |
9014412 | CIF | Bi Cu6 Se6 | P m c n | 4.0341; 27.056; 9.5559 90; 90; 90 | 1042.99 | Paar, W. H.; Cooper, M. A.; Moelo, Y.; Stanley, C. J.; Putz, H.; Topa, D.; Roberts, A. C.; Stirling, J.; Raith, J. G.; Rowe, R. Eldragonite, Cu6BiSe4(Se2), a new mineral species from the El Dragon mine, Potosi, Bolivia, and its crystal structure The Canadian Mineralogist, 2012, 50, 281-294 |
9014409 | CIF | Al1.609 Fe0.388 Mg1.001 O4 | F d -3 m :2 | 8.1482; 8.1482; 8.1482 90; 90; 90 | 540.985 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 339,180 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014404 | CIF | Fe Si2 | P 4/m m m | 2.696; 2.696; 5.147 90; 90; 90 | 37.411 | Li, G.; Bai, W.; Shi, N.; Fang, Q.; Xiong, M.; Yang, J.; Ma, Z.; Rong, H. Linzhiite, FeSi2, a redefined and revalidated new mineral species from Luobusha, Tibet, China European Journal of Mineralogy, 2012, 24, 1047-1052 |
9014394 | CIF | Al6.809 As0.099 B O17.876 Sb0.025 Si2.876 | P n m a | 4.6871; 11.7901; 20.1825 90; 90; 90 | 1115.31 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D31 The Canadian Mineralogist, 2012, 50, 855-872 |
9014390 | CIF | C H30 Ca3 O25 S Si | P 63 | 11.036; 11.036; 10.3845 90; 90; 120 | 1095.32 | Gatta, G. D.; McIntyre, G. J.; Swanson, J. G.; Jacobsen, S. D. Minerals in cement chemistry: A single-crystal neutron diffraction and Raman spectroscopic study of thaumasite, Ca3Si(OH)6(CO3)(SO4)*12H2O Note: T = 22.5 K American Mineralogist, 2012, 97, 1060-1069 |
9014389 | CIF | Al6.668 As0.087 B O17.898 Sb0.022 Si2.89 | P n m a | 4.6901; 11.7874; 20.1872 90; 90; 90 | 1116.03 | Groat, L. A.; Evans, R. J.; Grew, E. S.; Pieczka, A. The crystal chemistry of As- and Sb-bearing dumortierite Sample: D27 The Canadian Mineralogist, 2012, 50, 855-872 |
9014388 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.643; 6.643; 9.766 90; 90; 120 | 373.229 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 0.0001 GPa American Mineralogist, 2012, 97, 1749-1763 |
9014386 | CIF | Al1.461 Fe0.54 Mg1.001 O4 | F d -3 m :2 | 8.1701; 8.1701; 8.1701 90; 90; 90 | 545.359 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 52,620 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014382 | CIF | Cl6 K3 Mn Na | R -3 c :H | 12.0966; 12.0966; 13.9555 90; 90; 120 | 1768.49 | Kampf, A. R.; Mills, S. J.; Nestola, F.; Ciriotti, M. E.; Kasatkin, A. V. Saltonseaite, K3NaMn2+Cl6, the Mn analogue of rinneite from the Salton Sea, California American Mineralogist, 2012, 98, 231-235 |
9014375 | CIF | Ca0.62 Cs0.04 F0.35 Fe3.15 H4.65 K0.76 Mg0.18 Mn2.96 Na0.5 Nb0.3 O30.65 Rb0.18 Si8 Sn0.12 Ti1.58 Zn0.01 Zr0.01 | P -1 | 5.3868; 11.9141; 11.7171 112.978; 94.641; 103.189 | 661.831 | Stepanov, A. V.; Bekenova, G. K.; Levin, V. L.; Sokolova, E.; Hawthorne, F. C.; Dobrovol'skaya, E. A. Tarbagataite, (K,_)2(Ca,Na)(Fe2+,Mn)7Ti2(Si4O12)2O2(OH)4(OH,F), a new astrophyllite-group mineral species from the Verkhnee Espe Deposit, Akjailyautas Mountains, Kazakhstan: Description and crystal structure The Canadian Mineralogist, 2012, 50, 159-168 |
9014368 | CIF | Al8.922 B6.15 Ca0.01 F0.26 Fe1.338 H8.22 K0.01 Li0.42 Mn0.798 Na0.56 O42.74 Si5.568 Ti0.018 Zn0.06 | R 3 m :H | 15.883; 15.883; 7.1093 90; 90; 120 | 1553.18 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample MAG European Journal of Mineralogy, 2012, 24, 695-715 |
9014356 | CIF | As2.874 Ca2.01 Mg1.758 Mn0.242 Na0.99 O12 V0.126 | I a -3 d | 12.3404; 12.3404; 12.3404 90; 90; 90 | 1879.26 | Nagashima, M.; Armbruster, T. Palenzonaite, berzeliite, and manganberzeliite:(As5+,V5+,Si4+)O4 tetrahedra in garnet structures Mineralogical Magazine, 2012, 76, 1081-1097 |
9014354 | CIF | Fe0.183 Li0.86 Mn0.8 O4 P | P b n m | 4.734; 10.423; 6.094 90; 90; 90 | 300.693 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 2, light yellow The Canadian Mineralogist, 2012, 50, 843-854 |
9014339 | CIF | Al2 Cu0.69 Mg0.31 O4 | F d -3 m :2 | 8.0857; 8.0857; 8.0857 90; 90; 90 | 528.631 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl90dw American Mineralogist, 2012, 97, 1821-1827 |
9014334 | CIF | Al1.61 Fe0.39 Mg O4 | F d -3 m :2 | 8.1472; 8.1472; 8.1472 90; 90; 90 | 540.786 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 9 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014324 | CIF | Al0.875 Cr0.125 Nb O4 | C 1 2/m 1 | 12.1724; 3.755; 6.4957 90; 107.67; 90 | 282.894 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N12 American Mineralogist, 2012, 97, 910-917 |
9014318 | CIF | Ca0.82 F1.25 Mn0.79 Na1.18 O7.75 Si2 Ti0.477 Zr0.733 | P 1 21/a 1 | 10.8475; 9.9364; 7.1488 90; 108.392; 90 | 731.175 | Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609 |
9014304 | CIF | Cu3 H6 O11 V2 | C 1 2/m 1 | 10.657; 5.887; 7.228 90; 95.035; 90 | 451.7 | Yoshida, H.; Yamaura, J.; Isobe, M.; Nilsen, G. J.; Hiroi, Z. Orbital Switching in a Frustrated Magnet Nature Communications, 2012, 3, 860-865 |
9014301 | CIF | H0.5 K1.5 Mg2 O7 Si2 | P 63/m c m | 5.0646; 5.0646; 13.2379 90; 90; 120 | 294.063 | Welch, M. D.; Konzett, J.; Bindi, L.; Kohn, S. C.; Frost, D. J. New structural features of the high-pressure synthetic sheet-disilicate Phase-X, K(2-x)Mg2Si2O7Hx American Mineralogist, 2012, 97, 1849-1857 |
9014293 | CIF | H6 Na O9 P U | P 4/n c c :2 | 6.9935; 6.9935; 17.5101 90; 90; 90 | 856.402 | Mills, S. J.; Kampf, A. R.; Birch, W. D. The crystal structure of metanatroautunite, Na[(UO2)(PO4)](H2O)3, from the Lake Boga Granite, Victoria, Australia Note: z-coordinate of U changed from .40959 to match reported bond lengths American Mineralogist, 2012, 97, 735-738 |
9014292 | CIF | Fe0.195 Li0.748 Mn0.8 O4 P | P b n m | 4.7651; 10.3379; 6.0595 90; 90; 90 | 298.498 | Hatert, F.; Ottolini, L.; Wouters, J.; Fontan, F. A structural study of the lithiophilite-sicklerite series Sample 5, deep orange The Canadian Mineralogist, 2012, 50, 843-854 |
9014291 | CIF | Al1.61 Fe0.388 Mg O4 | F d -3 m :2 | 8.148; 8.148; 8.148 90; 90; 90 | 540.945 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 97,260 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014287 | CIF | Fe | F m -3 m | 3.544; 3.544; 3.544 90; 90; 90 | 44.512 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 11.48 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
9014285 | CIF | Fe | F m -3 m | 3.514; 3.514; 3.514 90; 90; 90 | 43.392 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 18.69 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9014277 | CIF | Cu2.937 H26 O34 S2 U4 | P -1 | 8.6744; 8.8692; 10.009 72.105; 70.544; 76.035 | 682.606 | Plasil, J.; Fejfarova, K.; Wallwork, K. S.; Dusek, M.; Skoda, R.; Sejkora, J.; Cejka, J.; Veselovsky, F.; Hlousek, J.; Meisser, N.; Brugger, J. Crystal structure of pseudojohannite, with a revised formula, Cu3(OH)2[(UO2)4O4(SO4)2](H2O)12 American Mineralogist, 2012, 97, 1796-1803 |
9014261 | CIF | Cr2 O3 | R -3 c :H | 4.737; 4.737; 13.071 90; 90; 120 | 254.007 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 39.7 GPa American Mineralogist, 2012, 97, 1764-1770 |
9014256 | CIF | H8 O8 S Zn | P 1 21/n 1 | 5.9144; 13.5665; 7.8924 90; 90.688; 90 | 633.222 | Anderson, J. L.; Peterson, R. C.; Swainson, I. The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O American Mineralogist, 2012, 97, 1905-1914 |
9014254 | CIF | Al1.609 Fe0.389 Mg1.002 O4 | F d -3 m :2 | 8.1469; 8.1469; 8.1469 90; 90; 90 | 540.726 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014250 | CIF | Pb10.159 S22 Sb7.841 | P 1 21/a 1 | 21.554; 23.454; 8.079 90; 100.76; 90 | 4012.35 | Kaden, R.; Wagner, G.; Bente, K. Crystal chemistry and electrical conductivity of boulangerite, dadsonite and iodine-substituted pillaite grown by chemical vapor transport The Canadian Mineralogist, 2012, 50, 219-233 |
9014245 | CIF | Al5.636 As0.067 Bi0.06 Ca9.156 Cl0.064 Fe0.223 Mn0.864 O39 Si9 | P 4/n n c :2 | 15.5852; 15.5852; 11.7782 90; 90; 90 | 2860.91 | Groat, L. A.; Evans, R. J. Crystal chemistry of Bi- and Mn-bearing vesuvianite from Langban, Sweden Note: sample vesuvianite 2 American Mineralogist, 2012, 97, 1627-1634 |
9014243 | CIF | Fe4 O5 | C m c m | 2.87366; 9.694; 12.4116 90; 90; 90 | 345.753 | Woodland, A. B.; Frost, D. J.; Trots, D. M.; Klimm, K.; Mezouar, M. In situ observation of the breakdown of magnetite (Fe3O4) to Fe4O5 and hematite at high pressures and temperatures American Mineralogist, 2012, 97, 1808-1811 |
9014240 | CIF | Ca4 H2 O11 Si3 | A m a 2 | 20.5805; 10.324; 9.1053 90; 90; 90 | 1934.6 | Armbruster, T.; Lazic, B.; Galuskina, I. O.; Galuskin, E. V.; Gnos, E.; Marzec, K. M.; Gazeev, V. M. Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence and relation to killalaite Mineralogical Magazine, 2012, 76, 455-472 |
9014233 | CIF | H6 Mg O6 Si | P 1 21 1 | 5.1131; 5.1898; 7.3303 90; 90.03; 90 | 194.517 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy American Mineralogist, 2012, 97, 1043-1048 |
9014231 | CIF | Fe | F m -3 m | 3.539; 3.539; 3.539 90; 90; 90 | 44.324 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 14.45 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9014227 | CIF | B11 Ca0.087 H7 O22 Sr1.913 | P -1 | 6.6378; 6.7387; 20.982 87.86; 82.696; 60.476 | 809.684 | Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: low-T, low-P polytype veatchite-1A American Mineralogist, 2012, 97, 489-495 |
9014226 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.171; 8.171; 8.171 90; 90; 90 | 545.539 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3069 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014220 | CIF | B11 Ca0.62 H7 O22 Sr1.38 | C 1 c 1 | 6.607; 11.7125; 20.6848 90; 91.998; 90 | 1599.71 | Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: moderate-T, high-P polytype veatchite-2M American Mineralogist, 2012, 97, 489-495 |
9014205 | CIF | Ca0.978 H8 O10 Sr0.022 V2 | I 1 2/a 1 | 14.6389; 6.9591; 17.052 90; 102.568; 90 | 1695.52 | Kampf, A. R.; Marty, J.; Nash, B. P.; Plasil, J.; Kasatkin, A. V.; Skoda, R. Calciodelrioite, Ca(VO3)2(H2O)4, the Ca analogue of delrioite, Sr(VO3)2(H2O)4 Mineralogical Magazine, 2012, 76, 2803-2817 |
9014203 | CIF | Cr2 O3 | R -3 c :H | 4.785; 4.785; 13.162 90; 90; 120 | 260.986 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 29.6 GPa American Mineralogist, 2012, 97, 1764-1770 |
9014195 | CIF | Al2 Co0.59 Mg0.41 O4 | F d -3 m :2 | 8.0943; 8.0943; 8.0943 90; 90; 90 | 530.32 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl45 American Mineralogist, 2012, 97, 1834-1840 |
9014192 | CIF | Al5.478 B3 Ca0.029 Fe3.522 Na0.971 O31 Si6 | R 3 m :H | 15.918; 15.918; 7.26 90; 90; 120 | 1593.1 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2h2, heated a second time in air at 750 C for 72 h American Mineralogist, 2012, 97, 1402-1416 |
9014165 | CIF | Al1.46 Fe0.539 Mg1.001 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 46,161 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014164 | CIF | H8 Mn O8 S | P 1 21/n 1 | 5.9753; 13.8186; 8.0461 90; 90.826; 90 | 664.3 | Anderson, J. L.; Peterson, R. C.; Swainson, I. The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O American Mineralogist, 2012, 97, 1905-1914 |
9014133 | CIF | Al8.55 B3.906 H3 Li0.45 Na0.79 O31 Si5.094 | R 3 m :H | 15.746; 15.746; 7.075 90; 90; 120 | 1519.14 | Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-9 American Mineralogist, 2012, 97, 1591-1597 |
9014124 | CIF | Ag1.621 Bi9.379 Cu4 Pb2 S19 | C 1 2/m 1 | 13.3801; 4.0007; 31.083 90; 93.064; 90 | 1661.49 | Topa, D.; Makovicky, E.; Ilinca, G.; Dittrich, H. Cupromakopavonite, Cu8Ag3Pb4Bi19S38, a new mineral species, its crystal structure and the cupropavonite homologous series The Canadian Mineralogist, 2012, 50, 295-312 |
9014123 | CIF | Cl3 Mn0.508 Na21.492 O40 S10 | I -4 3 d | 15.9291; 15.9291; 15.9291 90; 90; 90 | 4041.79 | Demartin, F.; Campostrini, I.; Castellano, C.; Gramaccioli, C. M.; Russo, M. D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles Mineralogical Magazine, 2012, 76, 2773-2783 |
9014117 | CIF | Mg O3 Si | P b c a | 18.21; 8.82; 5.1767 90; 90; 90 | 831.441 | Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J. Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 0.00010(1) GPa American Mineralogist, 2012, 97, 1741-1748 |
9014116 | CIF | Ca0.25 Ce0.348 Fe0.03 Gd0.01 La0.12 Nb1.14 Nd0.14 O6 Pr0.04 Sm0.02 Sr0.01 Th0.06 Ti0.86 Y0.02 | P n m a | 11.0563; 7.56; 5.3637 90; 90; 90 | 448.328 | Morrison, S. M.; Downs, R. T.; Domanik, K. J.; Yang, H.; Doell, D. Nioboaeschynite-(Ce), Ce(NbTi)O6 Acta Crystallographica, Section E, 2012, 68, i64-i65 |
9014114 | CIF | Al1.461 Fe0.539 Mg O4 | F d -3 m :2 | 8.1699; 8.1699; 8.1699 90; 90; 90 | 545.318 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014113 | CIF | Fe | F m -3 m | 3.468; 3.468; 3.468 90; 90; 90 | 41.71 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 27.44 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
9014111 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.1124; 5.4917; 9.911 90; 90; 90 | 876.97 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 4.025 GPa American Mineralogist, 2012, 97, 1165-1176 |
9014108 | CIF | Al1.609 Fe0.39 Mg1.001 O4 | F d -3 m :2 | 8.1462; 8.1462; 8.1462 90; 90; 90 | 540.587 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 45 min European Journal of Mineralogy, 2012, 24, 633-643 |
9014107 | CIF | H7 Mg2 Na O11 P2 | P b c a | 16.295; 13.009; 8.434 90; 90; 90 | 1787.85 | Atencio, D.; Chukanov, N. V.; Nestola, F.; Witzke, T.; Coutinho, J. M. V.; Zadov, A. E.; Contreira, R. R.; Farber, G. Mejillonesite, a new acid sodium, magnesium phosphate mineral, from Mejillones, Antofagasta, Chile American Mineralogist, 2012, 97, 19-25 |
9014092 | CIF | Al2 H56 Mg O57 V10 | P c c n | 16.3357; 24.2434; 11.7343 90; 90; 90 | 4647.17 | Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B. Postite, Mg(H2O)6Al2(OH)2(H2O)8(V10O28)*13H2O, a new mineral species from the La Sal Mining District, Utah: Crystal structure and descriptive mineralogy The Canadian Mineralogist, 2012, 50, 45-53 |
9014073 | CIF | Ca9 F0.784 H1.2 O17.216 Si4 | P 21/b 1 1 | 5.0672; 11.3545; 15.3941 100.587; 90; 90 | 870.63 | Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S. Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia American Mineralogist, 2012, 97, 1998-2006 |
9014068 | CIF | Al0.03 Ba0.6 Fe0.98 H0.4 Mg0.02 O11.4 Si0.86 V5.305 Zn0.11 | P -3 m 1 | 5.75; 5.75; 14.459 90; 90; 120 | 414.004 | Bartholomew, P. R.; Mancini, F.; Harlow, G. E.; Deifel, N.; Cahill, C.; Bernhardt, H. J. Greenwoodite, a new nesosilicate from British Columbia with a Ba-VOH coupled substitution and tetrahedral Fe: description and structure The Canadian Mineralogist, 2012, 50, 1233-1242 |
9014067 | CIF | Cr2 O3 | R -3 c :H | 4.629; 4.629; 12.88 90; 90; 120 | 239.013 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 63.9 GPa American Mineralogist, 2012, 97, 1764-1770 |
9014066 | CIF | Ba0.06 Ca4.2 Ce0.82 F1.88 Gd0.04 La0.1 Na2.36 Nd1.14 O24 P5.88 Pr0.2 Si0.12 Sm0.22 Sr0.9 | P -3 | 9.4553; 9.4553; 6.9825 90; 90; 120 | 540.62 | Pekov, I. V.; Zubkova, N. V.; Husdal, T. A.; Kononkova, N. N.; Agakhanov, A. A.; Zadov, A. E.; Pushcharovsky, D. Y. Carlgieseckeite-(Nd), NaNdCa3(PO4)3F, a new belovite-group mineral species from the Ilimaussaq alkaline complex, South Greenland The Canadian Mineralogist, 2012, 50, 571-580 |
9014056 | CIF | Fe | F m -3 m | 3.581; 3.581; 3.581 90; 90; 90 | 45.921 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 6.41 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
9014053 | CIF | Ca3 Cu0.92 O13 Si3 | P n 2 n | 5.6551; 3.683; 27.1372 90; 90; 90 | 565.206 | Kampf, A. R.; Mills, S. J.; Merlino, S.; Pasero, M.; McDonald, A. M.; Wray, W. B.; Hindman, J. R. Whelanite, Cu2Ca6[Si6O17(OH)](CO3)(OH)3(H2O)2, an (old) new mineral from the Bawana mine, Milford, Utah Note: not all atoms could be located American Mineralogist, 2012, 97, 2007-2015 |
9014049 | CIF | As S | P 1 21/n 1 | 8.827; 12.683; 6.213 90; 106.95; 90 | 665.347 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 3.97 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
9014024 | CIF | Al5.451 B3 Ca0.062 F0.3 Fe3.549 H3.23 Na0.938 O30.7 Si6 | R 3 m :H | 16.043; 16.043; 7.247 90; 90; 120 | 1615.33 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2 American Mineralogist, 2012, 97, 1402-1416 |
9014015 | CIF | C0.85 H1.998 Al2.82 Ca0.51 Na3.49 O15.549 Si3.18 | P 63 | 12.627; 12.627; 5.136 90; 90; 120 | 709.179 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# ggm44331 The Canadian Mineralogist, 2012, 49, 1129-1150 |
9014011 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.24; 12.24; 4.843 90; 90; 120 | 628.359 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 6.63 GPa American Mineralogist, 2012, 97, 872-882 |
9014009 | CIF | Al6.873 B3 F0.05 Fe1.188 H5.85 Li0.021 Mg0.819 Mn0.081 Na0.37 O30.95 Si5.958 Ti0.009 Zn0.009 | R 3 m :H | 15.9537; 15.9537; 7.1448 90; 90; 120 | 1574.87 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK3 European Journal of Mineralogy, 2012, 24, 695-715 |
8104543 | CIF | C17 H14 Br4 N2 O5 S | P 1 21/c 1 | 17.3522; 13.6891; 9.5605 90; 101.638; 90 | 2224.3 | Li, Jian Crystal structure of benzothiazol-2-aminium 3,4,5,6-tetrabromo-2-(methoxycarbonyl)benzoate methanol monosolvate C~7~H~7~N~2~s~^+^.C~9~H~3~Br~4~O~4~^-^.CH~4~O~ Zeitschrift fur Kristallographie - NCS, 2012, 152 |
8103381 | CIF | C27 H36 Cl N2 O9 P S | C 1 2/c 1 | 36.495; 8.5574; 20.487 90; 101.177; 90 | 6276.8 | Sabino Maggi; Giuseppe Chita; Claudio Bruno; Angelo Lovece; Giovanni Lentini Crystal structure of N-(2-{[(2E)-3-(4-chlorophenyl)-2-propenyl]-(methyl)ammonio}methylphenyl)-N-(2-hydroxyethyl)- 4-methoxybenzenesulfonamide dihydrogen phosphate — methanol (1:1), [C26H30ClN2SO4][H2PO4] · CH4O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 220 |
8103380 | CIF | C16 H10 Co N O4 | P -1 | 7.295; 9.469; 11.046 83.435; 73.225; 69.766 | 685.4 | Songbai Han; Yuntao Liu Crystal structure of catena-[m2-bis(biphenyl-2,2'-dicarboxylato-O:O')]-(m2-pyrazine-N:N')dicobalt(II), Co(C4H4N2)(C14H8O4)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 269 |
8103379 | CIF | C20 H17 N O | P 1 21 1 | 8.5059; 6.0803; 15.417 90; 99.745; 90 | 785.8 | Xiu-Guang Yi; Lu-Ping Zhong; Li-Qun Yan; Yun-Ling Hu; Zheng-Da Zou Crystal structure of 2-((benzhydrylimino)methyl)phenol, C20H17NO Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 249 |
8103378 | CIF | C16 H10 Br Cl2 N O2 | P 21 21 21 | 7.6061; 9.4475; 21.6928 90; 90; 90 | 1558.8 | Wan-Xi Peng; Cui Le Crystal structure of 3-(3-bromophenyl)-4-(3,5-dichlorophenylamino)furan-2(5H)-one, C16H10BrCl2NO2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 267 |
8103377 | CIF | C14 H14 N2 | P -1 | 7.352; 7.88; 10.978 78.294; 73.39; 81.909 | 594.5 | Xin-E Duan; Bin Jia; Hong-Bo Tong; Diansheng Liu Crystal structure of (E)-phenylacetaldehyde phenylhydrazone, C14H14N2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 247 |
8103376 | CIF | C24 H20 Cl6 Cu N4 O4 | C 1 2/c 1 | 9.1776; 16.938; 18.819 90; 97.22; 90 | 2902.2 | Li-Min Li; Huan-Mei Guo; Yu-Feng Li; Zeng-Hui Zhang; Li Liu Crystal structure of tetrapyridine-bis(trichloroacetato)copper(II), Cu(C2Cl3O2)2(C5H5N)4 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 257 |
8103375 | CIF | C22 H17 F6 N O | P -1 | 8.9012; 10.8414; 11.8312 92.029; 111.222; 109.585 | 986.63 | Weijun Liu; Congbin Fan; Seik Weng Ng Crystal structure of 1-(2-methoxyphenyl)-2-(1,2-dimethylindol-3-yl)-3,3,4,4,5,5-hexafluoro- cyclopent-1-ene, C22H17F6NO Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 263 |
8103374 | CIF | C18 H14 O S2 | P -1 | 9.47; 9.754; 10.458 64.773; 67.786; 62.736 | 756.5 | Xiaochuan Li; Yunfeng Xu; Young-A Son Crystal structure of 2,3-bis(3-methylthiophen-2-yl)benzofuran, C18H14OS2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 235 |
8103373 | CIF | C22 H14 Cd0.5 Cl N4 Ni O2 | P 1 2/n 1 | 12.66; 10.09; 14.706 90; 95.532; 90 | 1869.8 | Dan Wang; Xiaojian Kong; Xiaozeng Li Crystal structure of (dichloro-2k2Cl)bis[tribenzo-[d,h,l][3,7,10,14]-tetraaza[14]annulene- 1,2-diolato-1k4N,N',N'',N''':2k2O,O')cadmium(II)dinickel(II), CdCl2[Ni(C22H14N4O2)]2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 191 |
8103372 | CIF | C36 H33 Cl Fe N3 O P Pd | P 1 21/c 1 | 23.707; 9.1945; 17.6282 90; 106.035; 90 | 3693 | Su-Zhen Bai; Xin-Hua Lou; Lu-Meng Duan; Zhen Li Crystal structure of chloro(4-morpholinyl-pyrimidin-6-yl-ferrocenyl-k2C1,N1)(triphenylphosphine-kP)palladium(II), PdCl[Fe(C5H5)(C13H13N3O)][P(C6H5)3] Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 203 |
8103371 | CIF | C43 H42 N3 O2.5 Ru | P -1 | 7.9365; 10.1819; 23.2824 86.036; 88.575; 83.484 | 1864.52 | Barbara Enk; Holger Kopacka; Benno Bildstein; Klaus Wurst Crystal structure of [(E)-2-(2-((2,6-dimethylphenylimino)-(phenyl)methyl)-h5-cyclopentadienylamino)-3H-phenoxazin- 3-one]-(h5-pentamethylcyclopentadienyl)ruthenium(II) — ethanol (1:0.5), Ru(C10H15)(C32H24N3O2) · 0.5C2H6O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 217 |
8103370 | CIF | C20 H17 Fe N3 | P c c n | 13.4045; 20.349; 12.0946 90; 90; 90 | 3299 | Su-Zhen Bai; Xin-Hua Lou; Lu-Meng Duan; Zhen Li Crystal structure of N-(6-ferrocenylpyrimidin-4-yl)phenylamine, Fe(C5H5)(C15H12N3) Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 179 |
8103369 | CIF | C64 H52 N16 Na4 O20 | I 41/a :2 | 15.6635; 15.6635; 27.1833 90; 90; 90 | 6669.29 | Hui Gao; Chen Xu; Lu-Meng Duan; Zhi-Qiang Wang; Yao-Ting Fan Crystal structure of methanol[m-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-nitrobenzamide-k2N1,O1:kN2]sodium, Na(CH4O)(C15H9N4O4) Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 189 |
8103368 | CIF | C7 H7 Co N O6 | P 1 21/c 1 | 11.043; 10.259; 7.684 90; 102.617; 90 | 849.5 | Yu Feng; Guo-Fu Wu; Tian-Tian Ren; Cai-Li Huang; Meng-Jie Huang Crystal structure of diaqua(m3-pyridine-3,4-dicarboxylato-O,O'':O':N)cobalt(II), Co(C7H3NO4)(H2O)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 209 |
8103367 | CIF | C15 H12 Br2 N2 O2 | P 1 21/n 1 | 12.6952; 9.3693; 13.8755 90; 114.94; 90 | 1496.5 | Li Xu; Tian-Hao Zhao; Jiao Wang; Sen-Hua Liu; Guo-Hua Liu; Xi Fang Crystal structure of 1-{3-[(E)-3,5-dibromo-2-hydroxybenzylideneamino]phenyl}ethanone oxime, C15H12Br2N2O2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 187 |
8103366 | CIF | C15 H12 Cl2 N2 O | C 1 2/c 1 | 39.827; 3.9297; 17.8945 90; 90.108; 90 | 2800.6 | Li Zhao; Xu-Tao Dong; Jia Zhang; Qian Cheng; Ji-Xing Zhao Crystal structure of 1-{4-[(E)-2,4-dichlorobenzylideneamino]phenyl}ethanone oxime, C15H12Cl2N2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 185 |
8103365 | CIF | C14 H13 N3 O4 | P 1 21/c 1 | 8.0781; 16.109; 10.6222 90; 102.001; 90 | 1352.1 | Jian-Guo Wang; Ying-Quan Zou Crystal structure of 2,4-dinitro-N,N-ethylphenylaniline, C14H13N3O4 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 177 |
8103364 | CIF | C42 H72.56 Hg N2 O6.28 S4 | P -1 | 9.787; 14.999; 17.342 74.973; 87.124; 87.609 | 2454.5 | Xi-Man Zhang; Ping Li; Hai Wang; Hong-Yu Chen Crystal structure of bis(tetrabutylammonium) bis(1,2,3-trioxocyclopent-4-ene-4,5-dithiolato-S,S')mercury(II) — water (1:0.28), [N(C4H9)4]2[Hg(C5O3S2)2] · 0.28H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 230 |
8103363 | CIF | C18 H20 N2 O4 | P 1 21/c 1 | 20.195; 5.1601; 8.3019 90; 100.775; 90 | 849.87 | Wen-Kui Dong; Jiao Wang; Lan-Qin Chai; Li Zhao; Yu-Hua Yang; Li Wang; Jia Zhang Crystal structure of bis(4-hydroxybenzaldehyde) O,O'-(butane-1,4-diyl)dioxime, C18H20N2O4 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 171 |
8103362 | CIF | C16 H15 Cl N2 O | P -1 | 7.6036; 10.152; 10.479 102.272; 108.689; 96.463 | 734.33 | Sergey Belyakov; Daina Jansone; Edgars Abele; Mendel Fleisher Crystal structure of 4-[2-(2-chlorophenyl)vinyl]-6,6-dimethyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carbonitrile, C16H15ClN2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 175 |
8103361 | CIF | C18 H16 Cl2 O4 | P 1 21/n 1 | 7.2641; 16.3533; 14.6158 90; 102.514; 90 | 1695 | Jian-Zhang Wu; Xin Jiang; Cheng-Guang Zhao; Xiao-Kun Li; Shu-Lin Yang Crystal structure of (E)-3-(2,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, C18H16Cl2O4 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 215 |
8103360 | CIF | C18 H16 N2 O4 | P 1 21/c 1 | 15.358; 13.1056; 7.9322 90; 98.144; 90 | 1580.5 | Xiao-Rong Li; Shan-Shan Huang; Chuan-Xun Li; Yun-Peng Diao; Hou-Li Zhang Crystal structure of 3,5-dihydroxy-N'-(1-naphthyl-methyl)benzohydrazide monohydrate, C18H14N2O3 · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 167 |
8103359 | CIF | C19.5 H30 Cl3 In N2 O1.5 | P 1 21/n 1 | 14.2031; 16.9331; 21.7111 90; 106.513; 90 | 5006.2 | Anita Abedi; Ali Reza Safari; Vahid Amani Crystal structure of trichloro(4,4'-di-tert-butyl-2,2'-bipyridine-k2N,N')(methanol-kO)indium(III) — methanol (1:0.5), InCl3(CH3OH)(C18H24N2) · 0.5CH3OH Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 196 |
8103358 | CIF | C14 H19 Cl N4 O4 | P b c a | 17.218; 8.3969; 21.955 90; 90; 90 | 3174.2 | Xiao-Liang Zhou; Hao Wang; Yan Wang; Pei-Ji Shi Crystal structure of 1-(2-(diethylamino)ethyl)-5-nitro-1H-indazole-3-carboxylic acid hydrochloride, C14H18N4O4 · HCl Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 173 |
8103357 | CIF | C15 H12 Br Fe N | P b c a | 12.7998; 11.0971; 18.159 90; 90; 90 | 2579.3 | Ning Ma; Ye Wang; Hong-Mei Li; Zhi-Qiang Wang; Chen Xu Crystal structure of (5-bromo-2-pyridyl)ferrocene, C15H12BrFeN Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 165 |
8103356 | CIF | C28 H32 N4 O3 P2 | P 1 21/c 1 | 13.0365; 9.6142; 22.3704 90; 106.08; 90 | 2694.11 | Mehrdad Pourayoubi; Hassan Fadaei; Atekeh Tarahhomi; Masood Parvez Crystal structure of N,N',N'',N'''-tetrakis(4-methylphenyl)diphosphoric tetraamide, C28H32N4O3P2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 205 |
8103355 | CIF | C104 H64 Cl6 Mn3 N4 O18 | P -1 | 12.331; 14.065; 14.803 86.552; 69.715; 73.444 | 2306.2 | Xiu-Mei Li; Bo Liu; Qing-Wei Wang Crystal structure of bis(2,2'-bipyridyl)-hexa[m-2-(4'-chlorobenzoyl)benzoato-k2O:O')trimanganese(II), Mn3(C10H8N2)2(C14H8O3Cl)6 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 158 |
8103354 | CIF | C11 H12 Cl Cu N O6 | P -1 | 7.327; 11.465; 15.565 85.35; 83.5; 88.2 | 1294.5 | Xuefan Gu Crystal structure of bis[aqua(2-hydroxy-5-chlorobenzylamino-N,N-diacetato-k4N,O,O',O'')copper(II)], [Cu(C11H10ClNO5)(H2O)]2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 259 |
8103353 | CIF | C20 H20 Br4 Co N2 O2 | P -1 | 9.9465; 13.3142; 19.9025 73.035; 76.02; 81.725 | 2438.6 | Xuejun Long; Pan Zhou; Yingjie Cai Crystal structure of bis(3,5-dibromo-N-isopropylsalicylaldiminato-k2N,O)cobalt(II), Co(C10H10Br2NO)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 193 |
8103352 | CIF | C20 H20 Br4 N2 O2 Zn | P -1 | 9.911; 13.316; 19.908 73.054; 76.083; 81.981 | 2432.7 | Mingxia Guo; Tifeng Shen; Yingjie Cai Crystal structure of bis(3,5-dibromo-N-isopropylsalicylaldiminato-k2N,O)zinc(II), Zn(C10H10Br2NO)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 140 |
8103351 | CIF | C22 H28 Cl4 Mn N4 O3 | P b c n | 12.3759; 9.249; 22.827 90; 90; 90 | 2612.9 | Limei Wang; Xifeng Zhang; Wanyong Zeng; Zhiguo Liu; Lieju Liu Crystal structure of bis(3,5-dichloro-N-2-(dimethylamino)ethylsalicylaldiminato-k3N,N',O)manganese(II) monohydrate, Mn(C11H13Cl2N2O)2 · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 261 |
8103350 | CIF | C14 H16 Fe N2 O6 | P 1 21/n 1 | 9.122; 8.625; 9.544 90; 105.968; 90 | 721.9 | Peng Gao; Zhong-Jing Huang; Li-Ying Nong; Xia-Min Tang; Gui-Yan Li Crystal structure of catena-(trans-diaqua)-di(m-3-pyridinylacetato-k2N:O)iron(II), Fe(C7H6NO2)(H2O)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 201 |
8103349 | CIF | C25 H23 Cl2 Cu N3 O0 | P 1 21/c 1 | 7.8744; 10.9456; 25.9386 90; 94.129; 90 | 2229.85 | Daocheng Xia; Lifeng Liu; Xiuying Ma; Jingxia Ma; Jihuan Yao Crystal structure of dichloro(4'-(4-t-butylphenyl)-2,2':6',2''-terpyridyl)copper(II), CuCl2(C25H23N3) Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 133 |
8103348 | CIF | C10 H8 Cd2 N0 O7 | P 1 21/n 1 | 6.886; 7.359; 22.779 90; 94.518; 90 | 1150.7 | Daocheng Xia; Lifeng Liu; Xiuying Ma; Jingxia Ma; Jihuan Yao Crystal structure of (m4-phthalato-O:O':O'':O''':O'''')(m3-acetato-O:O:O')(m-hydroxo)dicadmium(II), Cd2(C2H3O2)(C8H4O4)(OH) Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 183 |
8103347 | CIF | C36 H26 Co N9 O | P 1 21/n 1 | 13.329; 12.5385; 18.3604 90; 103.007; 90 | 2989.8 | Daocheng Xia; Xiuying Ma; Jingxia Ma; Jihuan Yao; Xuqing Yang; Qingyang Liu Crystal structure of tris(2-(2-pyridyl)benzimidazole)cobalt(III) monohydrate, Co(C12H8N3)3 · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 243 |
8103346 | CIF | C18 H20 Cu N4 O7 | P c c n | 21.659; 11.0123; 16.923 90; 90; 90 | 4036.4 | Daocheng Xia; Jingxia Ma; Xiuying Ma; Jihuan Yao; Xuqing Yang; Qingyang Liu Crystal structure of catena-aqua(m-bis(2-(1-imidazolyl)ethyl)ether-N:N')(m-5-hydroxybenzene-1,3- dicarboxylato-O:O')copper(II), Cu(C8O5H4)(C10H14ON4)(H2O) Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 241 |
8103345 | CIF | C18 H18 Co N4 O5 | P -1 | 9.275; 9.751; 11.434 72.931; 80.267; 64.018 | 887.7 | Rui-Li Fu; Jian-Fang Ma Crystal structure of catena-(m2-5-hydroxybenzene-1,3-dicarboxylato)-(m2-1,1'-(1,4-butyl)bis(imidazole))-cobalt(II), Co(C8H4O5)(C10H14N4) Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 281 |
8103344 | CIF | C17 H21 N5 O | P 1 21/c 1 | 8.73445; 14.1564; 13.9178 90; 93.3807; 90 | 1717.92 | Byung-Soon Kim; Shinya Matsumoto; Young-A Son Crystal structure of (Z)-2-amino-3-[(E)-4-(diethylamino)-2-ethoxybenzylideneamino]-2-butenedinitrile, C17H21N5O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 223 |
8103343 | CIF | C18 H14 O2 S3 | P 1 21/n 1 | 12.7062; 8.729; 15.085 90; 99.904; 90 | 1648.2 | Xiaochuan Li; Yunfeng Xu; Young-A Son Crystal structure of 2,3-bis(3-methylthiophen-2-yl)benzothiophene 1,1-dioxide, C18H14O2S3 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 233 |
8103342 | CIF | C30 H18 Br4 Cu N2 O4 | P -1 | 8.02; 9.3672; 10.5894 75.775; 76.767; 80.645 | 745.88 | Rui-Li Fu; Jian-Fang Ma Crystal structure of bis{1-[3-(2-hydroxy-3,5-dibromobenzylideneamino)phenyl]ethanone-k2N,O}copper(II), Cu(C15H9Br2NO2)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 279 |
8103341 | CIF | C56 H48 Co N8 O28 Sm2 | P -1 | 10.122; 10.806; 13.723 79.153; 78.796; 86.392 | 1445.5 | Chun-Hua Zhang; Xiong-Wen Tan; Man-Sheng Chen Crystal structure of catena-tetraaqua-1k2O,2k2O-bis[m3-5-(isonicotinamido)isophthalato-1k4O,O':O'',O''',2kN]- bis[m3-5-(isonicotinamido)isophthalato-1k3O,O':O'',2kO''']cobalt(II)disamarium(III) tetrahydrate, CoSm2(C14H8N2O5)4(H2O)4 · 4H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 211 |
8103340 | CIF | C21 H16 Mn N2 O5 | P 1 21/n 1 | 8.9125; 19.29; 11.15 90; 97.992; 90 | 1898.3 | Xiao-Ling Li; Ke-Qiang Wang Crystal structure of bis{aqua[m-2-(2-carboxylatophenyl)acetato-k3O1:O3,O4](1,10-phenanthroline-k2N,N')manganese(II)}, [Mn(C9H6O4)(C12H8N2)(H2O)]2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 135 |
8103339 | CIF | C8 H11 N O4 S2 | P b c a | 12.0032; 9.1488; 19.634 90; 90; 90 | 2156.1 | Ai-Guo Zhong Crystal structure of S-1-[(carboxymethyl)sulfanyl]-N-(2-oxotetrahydro-3-thienyl)acetamide, C8H11NO4S2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 255 |
8103338 | CIF | C22 H20 N4 O8 S | P -1 | 8.408; 9.842; 15.154 108.369; 101.227; 96.479 | 1146.7 | Lue Li; Fa-Yan Meng; Li Wang; Zhou-Feng Huang; Shui-Qiang Wei; Cui-Wu Lin Crystal structure of 3,4-bis(acetyloxy)-N-{4-[(6-methoxy-4-pyrimidinyl)aminosulfonyl]phenyl}benzamide, C22H20N4O8S Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 131 |
8103337 | CIF | C18 H28 Na2 O23 Zn2 | P -1 | 7.1117; 11.2113; 18.3804 78.982; 85.788; 73.619 | 1379.79 | Kai-Sheng Diao; Long Li; Yu-Qiu Ding; Xian-Hong Yin Crystal structure of catena-octakisaquabis(m5-1,3,5-benzenetricarboxylato)dizinc(II)disodium — water (1:3), Na2Zn2(C9H3O6)2(H2O)8 · 3H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 137 |
8103336 | CIF | C10 H14 Co N4 O12 | P -1 | 5.0091; 8.1296; 9.55 74.444; 84.718; 88.887 | 373.05 | Bo Xiao Crystal structure of diaquabis(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato-k2O,O')cobalt(II) dihydrate, Co(C5H3N2O4)2(H2O)2 · 2H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 161 |
8103335 | CIF | C15 H11 Cu N2 O4 | C 1 2/c 1 | 13.549; 9.8711; 20.4828 90; 100.876; 90 | 2690.2 | Bo Xiao Crystal structure of m2-oxalato-bis[(acetato)(1,10-phenanthroline-k2N,N')copper(II)], Cu2(C2H3O2)2(C2O4)(C12H8N2)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 181 |
8103334 | CIF | C160 H152 Cu8 N16 O68 | C 1 2/c 1 | 20.423; 12.0232; 16.219 90; 94.18; 90 | 3972 | Bo Xiao Crystal structure of diaquabis(m-4-hydroxyphthalato-k2O,O')bis(1,10-phenanthroline-k2N,N')dicopper(II) pentahydrate, [Cu(H2O)(C12H8N2)(C8H4O5)]2 · 5H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 149 |
8103333 | CIF | C14 H13 N O3 | P 21 21 21 | 6.5399; 6.7787; 25.943 90; 90; 90 | 1150.11 | Min-Dong Chen; Junfeng Wang; Bo Xiao; Xuan Gong Crystal structure of N-propynoyl-(5R)-3-methyl-5-phenylmorpholin-2-one, C14H13NO3 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 199 |
8103332 | CIF | C13 H11 N O3 | P 1 21 1 | 6.5367; 7.4475; 11.7459 90; 90.288; 90 | 571.81 | Min-Dong Chen; Bo Xiao; Xuan Gong Crystal structure of N-propynoyl-(5R)-5-phenylmorpholin-2-one, C13H11NO3 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 103 |
8103331 | CIF | C40 H36 N4 Ni2 O10 S2 | C 1 2/c 1 | 38.387; 8.6881; 11.6559 90; 94.692; 90 | 3874.3 | Yu-Min Yang; Xin-Xiang Cao; Teng-Teng Lv; Ya Song Crystal structure of diaquabis[m-3-(4-carboxylatophenyl)propionato]bis(m-4,4'-thiodipyridine)dinickel(II), Ni2(H2O)2(C10H8O4)2(C10H8N2S)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 129 |
8103330 | CIF | C20 H20 N2 Ni O9 | P 1 21/n 1 | 7.5426; 13.3693; 20.7286 90; 92.02; 90 | 2088.96 | Bo Xiao Crystal structure of triaqua(4-hydroxyphthalato-kO)(1,10-phenanthroline-k2N,N')]nickel(II) hydrate, Ni(H2O)3(C8H4O5)(C12H8N2) · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 115 |
8103329 | CIF | C20 H20 Co N2 O9 | P 1 21/n 1 | 7.5748; 13.4983; 20.5241 90; 92.585; 90 | 2096.39 | Bo Xiao Crystal structure of triaqua(4-hydroxyphthalato-kO)(1,10-phenanthroline-k2N,N')cobalt(II) hydrate, Co(H2O)3(C8H4O5)(C12H8N2) · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 125 |
8103328 | CIF | C18 H19 N O4 | P 1 21/n 1 | 10.204; 14.888; 10.75 90; 95.081; 90 | 1626.7 | Fang Huang; Feng Zhang; Hongmei Xu Crystal structure of spiro[(indane-1,3-dione)-2,3'-(2'-methyl-2'-methyloxycarbonyl-hexahydro-1'H-pyrrolizine)], C18H19NO4 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 225 |
8103327 | CIF | C22 H28 N2 O6 | P 1 21/c 1 | 5.2239; 14.5728; 29.272 90; 92.714; 90 | 2225.9 | Yin-Xia Sun; Guo-Hua Liu; Jiao Wang; Sen-Hua Liu; Gang Wang Crystal structure of bis(3-ethoxy-4-hydroxybenzaldehyde) O,O'-(butane-1,4-diyl)dioxime, C22H28N2O6 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 123 |
8103326 | CIF | C50 H89 Na O17 | P 1 21 1 | 10.1377; 21.345; 13.2198 90; 106.555; 90 | 2742.05 | Viktors Kumpinš; Sergey Belyakov; Erika Bizdena; Maris Turks Crystal structure of methanolsodium dianemycin — methanol (1:2), Na(C47H77O14)(CH4O) · 2CH4O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 145 |
8103325 | CIF | C20 H18 F12 N6 P2 | P -1 | 8.694; 10.978; 14.248 96.086; 106.347; 99.085 | 1272.2 | Shaojin Gu Crystal structure of 3,3'-(1,10-phenanthroline-2,9-diyl)-bis(1-methyl-1H-imidazol-3-ium) bishexafluorophosphate, (C20H18N6)(PF6)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 143 |
8103324 | CIF | C52 H64 N18 O8 Zn | P 1 21/n 1 | 17.8251; 7.3268; 21.182 90; 92.902; 90 | 2762.8 | Fu-Yu Wang; Shu-Fang Lou; Shi-Kun Hai Crystal structure of catena-bis(m-dicyanamido)-bis[2-(4-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide-kN)- zinc(II) — 2-(4-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (1:2), Zn(C12H16N3O2)2(C2N3)2 · 2C52H64N18O8 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 107 |
8103323 | CIF | C15 H12 S | P 21 21 21 | 5.8138; 11.4314; 17.158 90; 90; 90 | 1140.3 | Owen J. Curnow; Kazumi Tsuruta Crystal structure of 3-(phenylthio)indene, C15H12S Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 127 |
8103322 | CIF | C43 H35 Fe N9 O10 | P -1 | 12.7835; 13.507; 15.7852 71.024; 87.263; 64.291 | 2308.3 | Miao-Ling Huang Crystal structure of tris(1,10-phenanthroline-k2N,N')iron(II) dinitrate — 4-aminobenzoic acid — water (1:1:2), [Fe(C12H8N2)3][NO3]2 · C7H7NO2 · 2H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 110 |
8103321 | CIF | C32 H31 Cl0 N5 O9 Sr | P b c a | 19.3728; 13.9007; 23.522 90; 90; 90 | 6334.4 | Ren-Yun Kuang; Hong-Mei Chen; Xiao-Chun Zhou Crystal structure of tetraaqua(5-aminoisophtalato-kO)-(1,10-phenanthroline-k2N,N')strontium(II) — 1,10-phenanthroline — water (1:1:1), Sr(C8H5NO4)(C12H8N2)(H2O)4 · C12H8N2 · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 155 |
8103320 | CIF | C15 H13 Br N2 O2 | P 1 21/c 1 | 15.7226; 13.9648; 6.1959 90; 96.096; 90 | 1352.7 | Li Zhao; Xu-Tao Dong; Shou-Ting Zhang; Qian Chen Crystal structure of 1-(4-{[(E)-5-bromo-2-hydroxybenzylidene]amino}phenyl)ethanone oxime, C15H13BrN2O2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 101 |
8103319 | CIF | C15 H12 Cl2 N2 O2 | P 1 21/c 1 | 10.7831; 14.6259; 9.7936 90; 116.877; 90 | 1377.7 | Lan-Qin Chai; Yu-Li Zhang; Kai Cui; Zai-Rui Wang; Li-Wen Zhang; Yong-Ze Zhang Crystal structure of 2-(3,5-dichloro-2-hydroxyphenyl)-4-methyl-1,2-dihydroquinazoline 3-oxide, C15H12Cl2N2O2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 153 |
8103318 | CIF | C18 H20 N2 O4 | P 1 21/c 1 | 20.674; 8.1642; 10.4029 90; 100.268; 90 | 1727.8 | Yu-Jie Zhang; Shou-Ting Zhang; Jiao Wang; Guo-Hua Liu; Gang Wang; Xiong-Hou Gao Crystal structure of 2,2'-(1,2-ethylenedioxy)bisbenzaldehyde O,O'-dimethyldioxime, C18H20N2O4 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 119 |
8103317 | CIF | C35 H36 N7 Ni O7 | C 1 2/c 1 | 28.1346; 10.6395; 26.3965 90; 120.72; 90 | 6792.7 | Chun Chen; Jian-Fang Ma Crystal structure of bis{aquabis[2-(1H-benzimidazol-2-yl)benzoato-k2N,O]hemi(m-1,10-bis(1,2,4-triazol-1-yl)decane- N:N')nickel(II)} — water (1:4), Ni2(C14H24N6) (C14H9N2O2)4(H2O)2 · 4H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 274 |
8103316 | CIF | C22 H34 Co N10 O10 | P 1 21/n 1 | 7.954; 10.79; 16.864 90; 101.666; 90 | 1417.4 | Hui-Jie Zhu; Hong-Qiang Wang; Le-Jun Shi Crystal structure of bis(2-(2-methylimidazol)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl-3-oxide-k2N,O)cobalt(II) dinitrate, [Co(C11H17N4O2)2][NO3]2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 239 |
8103315 | CIF | C34 H38 Hg2 N12 O4 S4 | P -1 | 7.0767; 12.0722; 12.6814 81.813; 89.79; 76.45 | 1042 | Shu-Fang Lou; Qing Wang; Jie Ding Crystal structure of bis{[4,4,5,5-tetramethyl-2-(1-methyl-1H-benzimidazol-2-yl)-4,5-dihydroimidazole-1-oxyl- 3-oxide-k2N,O]-(m2-thiocyanato-N:S)(thiocyanato-kS)mercury(II)}, Hg2(C15H19N4O2)2(SCN)4 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 105 |
8103314 | CIF | C6 H9 Cl Cu N2 O4 | P -1 | 3.8512; 11.4011; 11.5587 111.337; 96.29; 98.626 | 459.9 | Hai-Jun Qiao; Zhi-Gang Tang; Min Yang Crystal structure of catena-aqua(m-chlorido)-(2-carboxylato-5-methylpyrazine-k2N,O)copper(II) monohydrate, CuCl(H2O)(C6H6N2O2) · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 207 |
8103313 | CIF | C22 H26 N2 O10 | P -1 | 6.5808; 12.609; 12.765 81.731; 85.688; 87.024 | 1044.3 | Weiming Xiao; Chao Chen; Bin Sun; Ning Zhang Crystal structure of 1,4-diazoniabicyclo[2.2.2]octane 3,3'-dicarboxybiphenyl-4,4'-dicarboxylate dihydrate, [C6H14N2][C16H8O8] · 2H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 151 |
8103312 | CIF | C4 H7 Cs N8 S2 | P -1 | 6.27; 6.41; 8.97 69.6; 73.99; 61.6 | 294.58 | Shijun Chen Crystal structure of catena-(m4-1-methyl-1H-1,2,3,4-tetrazole-5-thiolato)cesium(I), Cs(C2H3.5N4S)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 213 |
8103311 | CIF | C22 H28 N4 O13 Zn | P -1 | 7.4065; 9.41; 9.6691 81.61; 75.99; 77.98 | 636.3 | Yang Shen; Duan Qiu Crystal structure of tetraaquabis(1,3-benzimidazol-3-ium-1,3-diacetato)zinc(II) monohydrate, Zn(C11H9N2O4)2(H2O)4 · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 121 |
8103310 | CIF | C16 H10 Ba O8 | P 21 21 21 | 6.056; 8.123; 30.747 90; 90; 90 | 1512.5 | Jing Li; Jian-Fang Ma Crystal structure of aqua(5-(4-carboxybenzyloxy)isophthalato)barium(II), Ba(H2O)(C16H10O7) Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 277 |
8103309 | CIF | C112 H90 Cu4 N8 O37 | P 1 21/c 1 | 10.147; 17.955; 17.301 90; 125.705; 90 | 2559.6 | Xi-Ying Hu; Jian-Xu Wang; Wen-Wen Shan Crystal structure of tetra[(2,6-dicarboxylato-2',6'-dicarboxy-1,1'-biphenyl)-(6,6'-dimethyl-2,2'-bipyridine)copper(II)] pentahydrate, [Cu(C16H8O8)(C12H12N2)]4 · 5H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 227 |
8103308 | CIF | C36 H43 Cd N3 O9 | P -1 | 10.823; 11.516; 14.557 101.831; 100.875; 96.084 | 1724 | Hong-Ye Bai; Jian-Fang Ma Crystal structure of aqua(biphenylethene-4,4'-dicarboxylato-kO)-(1,12,15-triaza-3,4:9,10-dibenzo-5,8-dioxacyclo- heptadecane-k4N,N',N'',O8)cadmium(II)] — water (1:2), Cd(H2O)(C16H10O4)(C20H27N3O2) · 2H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 271 |
8103307 | CIF | C12 H16 Cu N4 O10 | P 1 21/c 1 | 12.29; 7.7777; 9.1004 90; 101.16; 90 | 853.4 | Hui Zhang; Yi-Min Feng Crystal structure of copper(II)malonate — water — imidazole (1:2:2), Cu(C3H2O4) · 2H2O · 2C3H4N2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 237 |
8103306 | CIF | B H6 K Mn O11 P2 | P 65 2 2 | 9.683; 9.683; 16.139 90; 90; 120 | 1310.5 | Ming-Zhen Wang Crystal structure of potassium diaquamanganese(II) borophosphate monohydrate, K[Mn(H2O)2(BP2O8)] · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 3 |
8103305 | CIF | Ba3 N8 O6 P6 | P -3 | 7.40227; 7.40227; 6.31436 90; 90; 120 | 299.633 | Stefan J. Sedlmaier; Daniel Weber; Wolfgang Schnick Crystal structure of barium oxonitridophosphate, Ba3P6O6N8 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 1 |
8103304 | CIF | C20 H21 Br Cd N4 O2 | P 1 21/c 1 | 10.253; 14.323; 17.137 90; 124.293; 90 | 2079.2 | Jian-Hua Qin; Xiang-Dong Han Crystal structure of catena-(acetato-O,O')(bromo)[m-1,1'-(1,4-butanediyl)bis(benzimidazole)-N:N']cadmium(II), CdBr(C2H3O2)(C18H18N2) Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 7 |
8103303 | CIF | C22 H21 Cl5 N2 O Pt | P 1 21/c 1 | 7.2901; 21.9411; 29.264 90; 92.829; 90 | 4675.2 | Kwang Ha Crystal structure of 3-phenylpyridinium pentachloro(3-phenylpyridine-kN)platinate(IV) hydrate, [C11H10N][PtCl5(C11H9N)] · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 12 |
8103302 | CIF | C16 H19 N5 O | P 1 21/n 1 | 10.9025; 12.9499; 11.8235 90; 106.648; 90 | 1599.34 | Byung-Soon Kim; Shinya Matsumoto; Young-A Son Crystal structure of (2Z)-2-amino-3-[(E)-4-(diethylamino)-2-methoxybenzylideneamino]-2-butenedinitrile, C16H19N5O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 19 |
8103301 | CIF | C22 H28 N2 O6 | P 1 21/n 1 | 4.6719; 18.0917; 12.4084 90; 93.914; 90 | 1046.34 | Wen-Kui Dong; Sen-Hua Liu; Shou-Ting Zhang; Li Wang; Yu-Jie Zhang; Xiong-Hou Gao Crystal structure of bis(2-hydroxy-3-ethoxybenzaldehyde) O,O'-(butane-1,4-diyl)dioxime, C22H28N2O6 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 15 |
8103300 | CIF | C27 H25 N3 O8 S3 | P -1 | 10.2147; 10.3124; 14.9403 108.576; 95.653; 105.324 | 1409.7 | Shao-Bin Miao; Lei Cao; Bao-Ming Ji Crystal structure of 1-[bis(p-toluenesulfonyl)amino]-2-(p-toluenesulfonylamino)-3-nitrobenzene, C27H25N3O8S3 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 41 |
8103299 | CIF | C14 H18 Cl2 N6 O6 Pd | P -1 | 7.4741; 8.3215; 9.1618 73.605; 76.146; 70.823 | 509.51 | Gerhard Laus; Klaus Wurst; Herwig Schottenberger Crystal structure of trans-dichlorobis[(E)-2-(1-methoxyimidazol-2-yl)-2-oxoacetaldehyde O-methyl oxime]palladium(II), PdCl2(C7H9N3O3)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 17 |
8103298 | CIF | C11 H23 N2 O3 P Se | P -1 | 7.1451; 8.5754; 14.0997 73.547; 80.983; 75.553 | 798.89 | Carmen Froschauer; Klaus Wurst; Gerhard Laus; Hedda K. Weber; Herwig Schottenberger Crystal structure of 1-butyl-2,3-dimethylimidazolium O,Se-dimethyl selenophosphate, [C9H17N2][C2H6O3PSe], a new ionic liquid Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 21 |
8103297 | CIF | C16 H11 Br Cl N O2 | F d d 2 | 25.3007; 51.746; 4.5806 90; 90; 90 | 5997 | Wanxi Peng; Fengjuan Wu; Lansheng Wang; Qiu Xu Crystal structure of 3-(4-bromophenyl)-4-(4-chlorophenylamino)furan-2(5H)-one, C16H11BrClNO2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 61 |
8103296 | CIF | C28 H40 Ag N O10 S4 W | P 1 21/n 1 | 12.915; 11.515; 24.758 90; 92.12; 90 | 3679.4 | Yuan Cao; Guosheng Cheng; Guozhu Shen Crystal structure of catena-{[bis(benzo-15-crown-5)ammonium][silver(I)-tetrakis(m-sulfido)tungstate(VI)], [(C14H20O5)2(NH4)][AgWS4] Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 50 |
8103295 | CIF | C24 H26 Cu N4 O10 S2 | P -1 | 9.5382; 11.2574; 14.446 98.669; 104.433; 104.77 | 1414 | Xiu-Ju Yin; Miao Ou-Yang Crystal structure of diaquabis{4-[(2-pyridylmethylidene)amino]benzenesulfonato-k2N,N']copper(II) dihydrate, Cu(C12H9N2O3S)2(H2O)2 · 2H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 66 |
8103294 | CIF | C11 H14 O5 | P 1 21 1 | 7.7699; 5.7057; 12.719 90; 101.316; 90 | 552.91 | Peng Liu; Hai-Bo Wang; Ping-An Wang; Xue-Ying Liu; Xiang-Yang Qin Crystal structure of (2R,3S)-methyl 2,3-dihydroxy-3-(4-methoxyphenyl)propanoate, C11H14O5 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 27 |
8103293 | CIF | C13 H21 N O4 | P b c a | 13.9041; 14.221; 14.6213 90; 90; 90 | 2891.1 | Mijit Alimjan; Jin-Ling Li; Zi-Wei Gao; Xiao-Li Ding Crystal structure of triethylammonium 3,5-dihydroxybenzoate, [C6H16N][C7H5O4] Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 39 |
8103292 | CIF | C18 H22 Mo8 N3 Na O34 | P 1 21/c 1 | 15.329; 13.598; 21.674 90; 109.345; 90 | 4262.7 | Guang-Rui Yang; Wen-Hang Zhai; Bing-Tao Liu Crystal structure of tris(4-carboxypyridinium) diaquasodium b-octamolybdate, [C6H6NO2]3[Na(H2O)2(Mo8O26)] Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 47 |
8103291 | CIF | C26 H24 Cl6 N2 O2 Pt | P -1 | 7.222; 9.429; 10.814 77.275; 74.195; 80.075 | 686.2 | Kwang Ha Crystal structure of bis(benzo[h]quinolinium) hexachloroplatinate(IV) dihydrate, [C13H10N]2[PtCl6] · 2H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 33 |
8103290 | CIF | C19 H20 Hg I2 N4 | C 1 2/c 1 | 19.471; 10.564; 21.295 90; 100.343; 90 | 4309 | Bo Xiao Crystal structure of tetraiodobis[m-(1,1'-(1,5-pentanediyl)-bis-1H-benzimidazole)]dimercury(II), [HgI2(C19H20N4)]2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 57 |
8103289 | CIF | C15 H22 O3 | P 21 21 21 | 6.9826; 9.271; 24.155 90; 90; 90 | 1563.7 | Hubiao Fang; Lei Chen; Nianyu Huang; Junzhi Wang; Zhaojiang Liao Crystal structure of (3S,Z)-3-hydroxy-3,6-dimethyl-2-(3-methylbutylidene)-3,3a,7,7a-tetrahydrobenzofuran-4(2H)-one, C15H22O3 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 87 |
8103288 | CIF | C34 H30 Cl4 Cu2 N2 O10 | P 1 21/n 1 | 10.2037; 10.9334; 17.1915 90; 91.703; 90 | 1917.1 | De-Zhong Niu; Chang-Fu Shan; Xin Min; Fan Gao Crystal structure of tetrakis(m-2-chlorobenzoato-O:O')bis(dimethylformamid)dicopper(II), Cu2(C3H7NO)2(C7H4ClO2)4 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 55 |
8103287 | CIF | C13 H9 Br Cl N O | P b c a | 7.1019; 13.082; 25.333 90; 90; 90 | 2353.6 | Fei-Wen Zhao; Feng Zhang Crystal structure of 2-[(2-bromophenylimino)methyl]-4-chlorophenol, C13H9BrClNO Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 53 |
8103286 | CIF | C32 H30 N4 O4 | C 1 2/c 1 | 15.2832; 8.8951; 19.931 90; 93.745; 90 | 2703.7 | Wen-Kui Dong; Shou-Ting Zhang; Yin-Xia Sun; Min Liu; Yu-Jie Zhang; Xiong-Hou Gao Crystal structure of 3,3'-[2,2'-(1,2-ethylenedioxy)dibenzylmethylimino]bis(acetophenone oxime), C32H30N4O4 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 99 |
8103285 | CIF | C18 H20 Cl6 N2 O2 Pt | P -1 | 7.2602; 8.0823; 10.637 78.774; 70.177; 79.724 | 571.66 | Kwang Ha Crystal structure of bis(quinolinium) hexachloroplatinate(IV) dihydrate, [C9H8N]2[PtCl6] · 2H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 31 |
8103284 | CIF | C22 H20 Cl4 N2 O Pt | P 1 21/c 1 | 14.157; 9.1855; 17.0533 90; 92.039; 90 | 2216.2 | Kwang Ha Crystal structure of 2-phenylpyridinium tetrachloro[2-(2-pyridyl)phenyl-k2N,C]platinate(IV) monohydrate, [C11H10N][PtCl4(C11H8N)] · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 29 |
8103283 | CIF | C14 H12 N2 | P 43 | 8.8792; 8.8792; 14.391 90; 90; 90 | 1134.6 | Zhao-Hao Li; Li-Ping Xue Crystal structure of 2-o-tolyl-1H-benzo[d]imidazole, C14H12N2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 71 |
8103282 | CIF | C20 H28 O6 | P 21 21 21 | 7.4438; 14.026; 17.298 90; 90; 90 | 1806 | Lu-Tai Pan; Qi-Ji Li; Jing-Jie Zhang; Ya-Hua Liu; Qi-Long Zhang Crystal structure of 1-oxo-6,15-dihydroxy-6,7-seco-ent-kaura-2,16-dien-7,20-olide monohydrate, C20H26O5 · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 83 |
8103281 | CIF | C20 H22 O5 | P 21 21 21 | 7.7703; 13.761; 16.008 90; 90; 90 | 1711.7 | Lu-Tai Pan; Qi-Ji Li; Ya-Hua Liu; Jing-Jie Zhang; Qi-Long Zhang Crystal structure of 2,16-dien-1,15-dion-6,7-seco-7,20-olide-ent-kaur-6-al, C20H22O5 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 81 |
8103280 | CIF | C4.5 H2.5 Lu0.5 O3.5 | P 41 2 2 | 10.2245; 10.2245; 14.369 90; 90; 90 | 1502.1 | Zhongyue Li; Kun Liu Crystal structure of aqua(benzene-1,3,5-tricarboxylato)lutetium(III), Lu(H2O)(C9H3O6) Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 91 |
8103279 | CIF | C12 H11 Cl N2 O4 | P 21 21 21 | 4.8534; 12.4461; 20.7341 90; 90; 90 | 1252.46 | Hua-Dong Dong Crystal structure of N'-(5-chloro-2-hydroxybenzylidene)furan-2-carbohydrazide monohydrate, C12H9ClN2O3 · H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 89 |
8103278 | CIF | C24 H16 Cu2 I3 N4 S4 | P c c n | 23.109; 15.246; 17.005 90; 90; 90 | 5991 | Le-Qing Fan Crystal structure of iodobis(1,10-phenanthroline-k2N,N')copper(II) iodo(m2-iodo)copper(I) — octasulfur (2:1), [CuI(C12N2H8)2]2[Cu2I4] · S8 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 79 |
8103277 | CIF | C42 H58 N4 Ni | P 1 21/n 1 | 10.4521; 19.9786; 19.3675 90; 102.325; 90 | 3951.1 | Yong Xiao; Jianjun Yi; Baichun Zhu; Pengjuan Zhao; Haijun Hao Crystal structure of bis[(N-2,6-di-i-propylphenyl)-5-t-butylpyrrol-2-methylenimine-k2N,N']nickel(II), Ni(C21H29N2)2 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 37 |
8103276 | CIF | C54 H58 Br4 Hg2 N10 O2 | P -1 | 9.5509; 12.774; 13.357 64.42; 86.81; 71.66 | 1389.1 | Jiyong Hu; Chunli Liao; Jin'an Zhao; Haipeng Zhao Crystal structure of bis{dibromo[m-1-(3-((2-methyl-1H-benzimidazol-1-yl)methyl)benzyl)-2-methyl-1H-benzimidazole-k2N,N'']mercury(II)} — N,N-dimethylformamide (1:2), [HgBr2(C24H22N4)]2 · 2C3H7NO Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 69 |
8103275 | CIF | C38 H52 N2 O12 | P 1 21 1 | 9.101; 9.559; 21.03 90; 93.879; 90 | 1825.3 | Xiao-Ling Wang; Bing-Rui Liu Crystal structure of 1,1'-disinomenine tetrahydrate, C38H44N2O8 · 4H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 93 |
8103274 | CIF | C14 H22 Co N4 O12 | P -1 | 7.1485; 8.8837; 9.3461 66.036; 88.452; 70.882 | 508.57 | Xin-Yu Yang; Li-Yan Yang; Peng-Peng Lei; Jing Jing Shang Crystal structure of diaquabis(hydrogen 2-ethyl-1H-imidazole-4,5-dicarboxylato-k2N,O)cobalt(II) dihydrate, Co(H2O)2(C7H7N2O4)2 · 2H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 59 |
8103273 | CIF | C14 H24 Mn N4 O13 | P -1 | 7.292; 8.964; 9.51 64.269; 88.749; 71.84 | 527.4 | Cheng-Jun Hao; Hui Xie; De-Yong Li Crystal structure of diaquabis(2-ethyl-4-carboxylato-5-carboxy-1H-imidazole-k2N3,O4)manganese(II) — water (1:3), [Mn(H2O)2(C7H7N2O4)2] · 3H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 77 |
8103272 | CIF | C11 H20 O4 | P -1 | 6.014; 9.566; 10.135 96.669; 94.985; 97.419 | 571.2 | Lin Yuan; Jiang-Hua Shi; Min Zhang Crystal structure of 3,3-dihydroxymethyl-1,6-dioxa-spiro[5.5]undecane, C11H20O4 Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 35 |
8103271 | CIF | C63 H43.5 Br4 Cu2 N14.5 O2 P2 | C 1 2/c 1 | 31.63; 9.6802; 24.65 90; 119.995; 90 | 6537 | Zhong-Feng Li; Ye-Lan Xiao; Qi-Ming Qiu; Man-Hua Wu; Qiong-Hua Jin; Cun-Lin Zhang Crystal structure of (m-(bis(diphenylphosphino)ethane dioxide-kO,O')bis([2,3-f]-pyrazino-[1,10]phenanthroline-2,3-dicarbonitrile-kN,N')bis(dibromido)dicopper(II) — acetonitrile (1:2.5), [Cu2(C26H24P2O2)(C16H6N6)2Br4] · 2.5CH3CN Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 24 |
8103270 | CIF | C31 H27.28 Cl Co N8 O6.14 | P -1 | 9.986; 12.126; 14.046 99.41; 98.375; 111.299 | 1523.9 | Jun-Yan Cui; Yong Hou; Feng-Mei Nie Crystal structure of [tris(2-benzimidazolylmethyl)amine-N,N',N'',N'''](2-aminobenzoato-O)cobalt(II) perchlorate — water (1:0.14), [Co(C24H21N7)(C7H6NO2)][ClO4] · 0.14H2O Zeitschrift für Kristallographie - New Crystal Structures, 2012, 227, 63 |
7702891 | CIF | C21 H19 B2 F8 N7 O Ru | P 1 21/a 1 | 10.0573; 15.8424; 16.3412 90; 105.971; 90 | 2503.2 | Okamura, Masaya; Yoshida, Masaki; Kuga, Reiko; Sakai, Ken; Kondo, Mio; Masaoka, Shigeyuki A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions. Dalton transactions (Cambridge, England : 2003), 2012, 41, 13081-13089 |
7702890 | CIF | C21 H17 Cl F6 N7 P Ru | P 41 | 8.6074; 8.6074; 32.612 90; 90; 90 | 2416.1 | Okamura, Masaya; Yoshida, Masaki; Kuga, Reiko; Sakai, Ken; Kondo, Mio; Masaoka, Shigeyuki A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions. Dalton transactions (Cambridge, England : 2003), 2012, 41, 13081-13089 |
7238780 | CIF | C132 H116 Cu18 N41 O50 | P -1 | 14.7198; 19.2788; 20.2209 113.4; 106.96; 100.281 | 4745.7 | Wu, Jin-Ji; Cao, Man-Li; Zhang, Jian-Yong; Ye, Bao-Hui A nanocomposite gel based on 1D coordination polymers and nanoclusters reversibly gelate water upon heating RSC Advances, 2012, 2, 12718 |
7238779 | CIF | C6 H8 Br2 O2 S | P -1 | 9.33; 9.624; 12.48 70.661; 73.733; 63.117 | 931.7 | Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene RSC Advances, 2012, 2, 12269 |
7238778 | CIF | C12 H14 O6 S | P 1 21/n 1 | 8.17; 7.029; 22.066 90; 97.99; 90 | 1254.9 | Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene RSC Advances, 2012, 2, 12269 |
7238775 | CIF | C70 H82 N6 O24 S6 | P 1 21/c 1 | 13.3839; 22.0863; 11.7496 90; 95.793; 90 | 3455.5 | Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu The recognition of 1,5-naphthalenedisulfonate by a protonated azamacrocyclic ligand RSC Advances, 2012, 2, 12728 |
7238774 | CIF | C74 H115 N8 O38 P S6 | P -1 | 12.9514; 14.2719; 25.9721 87.967; 86.878; 67.322 | 4422.4 | Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu The recognition of 1,5-naphthalenedisulfonate by a protonated azamacrocyclic ligand RSC Advances, 2012, 2, 12728 |
7238770 | CIF | C111 H92 Au6 Cl2 F6 O8 P6 S2 | P -1 | 12.7852; 14.6023; 16.363 64.009; 81.587; 88.896 | 2712.9 | Tang, Yu; Yu, Biao Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions RSC Advances, 2012, 2, 12686 |
7238769 | CIF | C110 H94 Au6 F6 O10 P6 S2 | P -1 | 12.66; 14.4505; 16.2267 64.226; 81.66; 89.732 | 2639.3 | Tang, Yu; Yu, Biao Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions RSC Advances, 2012, 2, 12686 |
7238768 | CIF | C74 H62 Au4 F6 O8 P4 S2 | P -1 | 11.7057; 13.5981; 23.7768 81.71; 82.215; 73.729 | 3577.1 | Tang, Yu; Yu, Biao Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions RSC Advances, 2012, 2, 12686 |
7238767 | CIF | C74 H60 Au4 F6 O8 P4 S2 | I 41/a :2 | 20.4779; 20.4779; 34.934 90; 90; 90 | 14649 | Tang, Yu; Yu, Biao Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions RSC Advances, 2012, 2, 12686 |
7238766 | CIF | C22 H23 Au F3 O4 P S | P -1 | 10.7896; 11.7019; 11.8546 107.733; 96.492; 116.338 | 1222.4 | Tang, Yu; Yu, Biao Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions RSC Advances, 2012, 2, 12686 |
7238763 | CIF | C120 H90 Co6.5 N3 O29 | R -3 :H | 36.82; 36.82; 45.036 90; 90; 120 | 52876 | Yoon, Jung Hee; Kim, Dongwook; Song, Xiaokai; Han, Seungwan; Shin, Jiho; Hong, Suk Bong; Lah, Myoung Soo Microporous metal‒organic framework containing cages with adjustable portal dimensions for adsorptive CO2 separation RSC Advances, 2012, 2, 11566 |
7238761 | CIF | C23 H27 Cl2 N O5 S | P 1 21 1 | 6.0659; 15.5656; 12.9608 90; 99.791; 90 | 1205.93 | Flores, MariFe; García-García, Pilar; Garrido, Narciso M.; Marcos, Isidro S.; Sanz, Francisca; Díez, David From isoxazolidines to tetrahydro-1,3-oxazines for the synthesis of chiral pyrrolidines RSC Advances, 2012, 2, 11040 |
7238760 | CIF | C55 H43 B F2 Fe2 N2 | C 1 2/c 1 | 29.777; 11.2969; 14.2126 90; 117.784; 90 | 4229.8 | Gautam, Prabhat; Dhokale, Bhausaheb; Mobin, Shaikh M.; Misra, Rajneesh Ferrocenyl BODIPYs: synthesis, structure and properties RSC Advances, 2012, 2, 12105 |
7238759 | CIF | C44 H36 B Cl3 F2 Fe2 N2 | P 1 21/c 1 | 12.2026; 15.5375; 20.834 90; 90.456; 90 | 3950 | Gautam, Prabhat; Dhokale, Bhausaheb; Mobin, Shaikh M.; Misra, Rajneesh Ferrocenyl BODIPYs: synthesis, structure and properties RSC Advances, 2012, 2, 12105 |
7238758 | CIF | C3 Al F O5 P | C 1 2/c 1 | 4.95296; 13.05589; 19.7444 90; 93.6514; 90 | 1274.19 | Attfield, Martin P.; Mendieta-Tan, Carlos; Telchadder, Ryan N.; Roberts, Mark A. Synthesis, crystal structure and properties of a novel framework aluminium diphosphonate RSC Advances, 2012, 2, 10291 |
7238756 | CIF | C25 H21 N O S2 | P 1 21/c 1 | 20.4426; 7.457; 13.7891 90; 108.579; 90 | 1992.5 | Karak, Debasis; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Hauli, Ipsit; Mukhopadhyay, Subhra Kanti; Sanmartín Matalobos, Jesús; Das, Debasis Interaction of soft donor sites with a hard metal ion: crystallographically characterized blue emitting fluorescent probe for Al(iii) with cell staining studies RSC Advances, 2012, 2, 12447 |
7238755 | CIF | C26 H18 Br2 Cu2 N8 | P 1 21/c 1 | 6.382; 10.275; 18.954 90; 93.034; 90 | 1241.2 | Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S. Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system RSC Advances, 2012, 2, 12169 |
7238754 | CIF | C26 H22 Br2 Cu2 N8 O2 | P -1 | 10.17; 11.52; 11.77 77.82; 86.94; 85.43 | 1343 | Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S. Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system RSC Advances, 2012, 2, 12169 |
7238753 | CIF | C26 H24 Br2 Cu2 N8 O3 | P -1 | 9.9; 11.605; 12.558 104.791; 89.286; 97.093 | 1384 | Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S. Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system RSC Advances, 2012, 2, 12169 |
7238752 | CIF | C26 H18 Br2 Cu2 N8 | P -1 | 9.105; 12.4; 12.57 100.78; 96; 94.43 | 1380 | Washizaki, T.; Ishikawa, R.; Yoneda, K.; Kitagawa, S.; Kaizaki, S.; Fuyuhiro, A.; Kawata, S. Reversible solid-state hydration and dehydration process involving anion transfer in a self-assembled Cu2 system RSC Advances, 2012, 2, 12169 |
7238751 | CIF | C36 H48 O18 Zn3 | P n n a | 16.0781; 21.0471; 12.8084 90; 90; 90 | 4334.3 | Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi Fluorescent Zn-based hetero-MOFs design via single metal site substitution RSC Advances, 2012, 2, 11650 |
7238750 | CIF | C36 H50 Ca O19 Zn2 | P n n a | 15.7091; 21.6243; 13.2974 90; 90; 90 | 4517.1 | Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi Fluorescent Zn-based hetero-MOFs design via single metal site substitution RSC Advances, 2012, 2, 11650 |
7238749 | CIF | C27 H26 Ca O16 Zn2 | P n m a | 7.35853; 23.5965; 18.7029 90; 90; 90 | 3247.49 | Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi Fluorescent Zn-based hetero-MOFs design via single metal site substitution RSC Advances, 2012, 2, 11650 |
7238748 | CIF | C27 H26 Cd O16 Zn2 | P n m a | 7.30775; 23.3444; 18.8151 90; 90; 90 | 3209.76 | Bo, Qi-Bing; Wang, Hong-Yan; Miao, Jin-Ling; Wang, Da-Qi Fluorescent Zn-based hetero-MOFs design via single metal site substitution RSC Advances, 2012, 2, 11650 |
7238747 | CIF | C13 H8 N4 O | P -1 | 5.6073; 8.1748; 12.5 103.057; 90.883; 96.555 | 554.02 | Bhat, Subrahmanya Ishwar; Choudhury, Angshuman Roy; Trivedi, Darshak R. Condensation of malononitrile with salicylaldehydes and o-aminobenzaldehydes revisited: solvent and catalyst free synthesis of 4H-chromenes and quinolines RSC Advances, 2012, 2, 10556 |
7238746 | CIF | C17 H19 N O5 | P 1 21/n 1 | 14.215; 7.397; 16.759 90; 111.05; 90 | 1645 | Moran, Wesley J.; MacRory, Kerry L.; Rodríguez, Arantxa Oxidative rearrangement of indoles to oxindoles RSC Advances, 2012, 2, 8962 |
7238744 | CIF | C53 H54 N2 O5 P2 Pd2 | P -1 | 13.2632; 13.7584; 15.903 102.994; 92.461; 113.432 | 2565.9 | Serrano, J. Luis; Pérez, José; García, Luis; Sánchez, Gregorio; García, Joaquín; Tyagi, Kriti; Kapdi, Anant New phospha-palladacycles: efficient catalysts in the formylation of aryl chlorides RSC Advances, 2012, 2, 12237 |
7238743 | CIF | C22 H21 N5 O2 | P 1 21/c 1 | 14.3071; 8.7477; 15.7408 90; 95.763; 90 | 1960.1 | You, Qi-Hua; Chan, Pui-Shan; Chan, Wing-Hong; Hau, Sam C. K.; Lee, Albert W. M.; Mak, N. K.; Mak, Thomas C. W.; Wong, Ricky N. S. A quinolinyl antipyrine based fluorescence sensor for Zn2+ and its application in bioimaging RSC Advances, 2012, 2, 11078 |
7238742 | CIF | C17 H14 Cl2 N2 | P 21 21 21 | 6.017; 8.991; 27.632 90; 90; 90 | 1494.9 | Viji, Mayavan; Nagarajan, Rajagopal Zinc triflate catalyzed regioselective synthesis of pyrrolo[2,3-c]carbazoles via heteroannulation RSC Advances, 2012, 2, 10544 |
7238741 | CIF | C23 H20 N2 | P b c a | 15.7399; 8.8045; 24.485 90; 90; 90 | 3393.2 | Viji, Mayavan; Nagarajan, Rajagopal Zinc triflate catalyzed regioselective synthesis of pyrrolo[2,3-c]carbazoles via heteroannulation RSC Advances, 2012, 2, 10544 |
7238740 | CIF | C18 H14 N2 O2 | P -1 | 7.6018; 9.8711; 10.129 99.173; 106.817; 101.998 | 691.8 | Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A RSC Advances, 2012, 2, 12665 |
7238739 | CIF | C18 H20 N2 O | P 1 21/n 1 | 12.9129; 12.3328; 19.1436 90; 100.509; 90 | 2997.5 | Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A RSC Advances, 2012, 2, 12665 |
7238738 | CIF | C15 H16 N2 O | C 1 c 1 | 6.7583; 17.8626; 10.4574 90; 104.431; 90 | 1222.59 | Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A RSC Advances, 2012, 2, 12665 |
7238737 | CIF | C20 H18 N2 O | P 1 21/n 1 | 5.1005; 12.8705; 23.9984 90; 90.25; 90 | 1575.38 | Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A RSC Advances, 2012, 2, 12665 |
7238736 | CIF | C18 H13 F N2 O | P 1 21/n 1 | 4.6857; 13.4725; 22.52 90; 90; 90 | 1421.6 | Mangalaraj, Selvaraj; Ramanathan, Chinnasamy Ramaraj Construction of tetrahydro-β-carboline skeletons via Brønsted acid activation of imide carbonyl group: syntheses of indole alkaloids (±)-harmicine and (±)-10-desbromoarborescidine-A RSC Advances, 2012, 2, 12665 |
7238734 | CIF | B18 H44 Na10 O79 V12 | P 1 21/n 1 | 13.589; 17.012; 14.339 90; 97.84; 90 | 3283.8 | Zhou, Jian; Liu, Xing; Hu, Feilong; Zou, Huahong; Li, Rong; Li, Xiaojuan One novel 3-D vanadoborate with unusual 3-D Na‒O‒Na network RSC Advances, 2012, 2, 10937 |
7238733 | CIF | C26 H20 N2 O3 | P 1 21/c 1 | 6.0244; 46.278; 9.4342 90; 129.701; 90 | 2023.7 | Safin, Damir A.; Robeyns, Koen; Garcia, Yann Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br) RSC Advances, 2012, 2, 11379 |
7238732 | CIF | C14 H10 Br2 N2 O2 | P -1 | 6.4795; 7.343; 7.8656 78.621; 79.482; 73.05 | 347.81 | Safin, Damir A.; Robeyns, Koen; Garcia, Yann Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br) RSC Advances, 2012, 2, 11379 |
7238731 | CIF | C26 H20 N2 O4 S | C 1 2/c 1 | 35.744; 4.8494; 12.392 90; 96.97; 90 | 2132.1 | Safin, Damir A.; Robeyns, Koen; Garcia, Yann Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br) RSC Advances, 2012, 2, 11379 |
7238730 | CIF | C26 H20 N2 O2 S | P 1 21/n 1 | 5.5937; 42.721; 8.7533 90; 96.129; 90 | 2079.8 | Safin, Damir A.; Robeyns, Koen; Garcia, Yann Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br) RSC Advances, 2012, 2, 11379 |
7238729 | CIF | C20 H16 N2 O2 | P 1 21/c 1 | 7.3048; 6.2025; 35.783 90; 95.732; 90 | 1613.15 | Safin, Damir A.; Robeyns, Koen; Garcia, Yann Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br) RSC Advances, 2012, 2, 11379 |
7238728 | CIF | C29 H22 | P 1 | 8.3555; 11.4727; 21.3695 92.113; 97.85; 91.027 | 2027.4 | Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene RSC Advances, 2012, 2, 11529 |
7238727 | CIF | C27 H20 | P c a 21 | 14.06; 17.548; 7.824 90; 90; 90 | 1930.4 | Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene RSC Advances, 2012, 2, 11529 |
7238726 | CIF | C24 H20 | P 1 21/n 1 | 5.9678; 18.3299; 15.8727 90; 99.236; 90 | 1713.79 | Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene RSC Advances, 2012, 2, 11529 |
7238725 | CIF | C24 H17 F3 | P b c a | 14.213; 7.615; 34.237 90; 90; 90 | 3706 | Yang, Lijian; Ye, Junwei; Xu, Lifeng; Yang, Xinyu; Gong, Weitao; Lin, Yuan; Ning, Guiling Synthesis and properties of aggregation-induced emission enhancement compounds derived from triarylcyclopentadiene RSC Advances, 2012, 2, 11529 |
7238724 | CIF | C18 H17 N O3 | P b c n | 18.36; 10.7617; 15.277 90; 90; 90 | 3018.5 | Reddy, B. V. Subba; Reddy, Y. Vikram; Lakshumma, P. Subba; Narasimhulu, G.; Yadav, J. S.; Sridhar, B.; Reddy, P. Purushotham; Kunwar, A. C. In(OTf)3-catalyzed tandem aza-Piancatelli rearrangement/Michael reaction for the synthesis of 3,4-dihydro-2H-benzo[b][1,4]thiazine and oxazine derivatives RSC Advances, 2012, 2, 10661 |
7238723 | CIF | C53 H48 Br2 N4 O4 | P -1 | 7.883; 11.024; 14.736 110.363; 96.456; 104.041 | 1137.1 | Maurya, Hardesh K.; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Huch, Volker; Tandon, Vishnu K.; Ji Ram, Vishnu A carbanion induced ring switching synthesis of spiranes: an unprecedented approach RSC Advances, 2012, 2, 9091 |
7238722 | CIF | C27 H24 N2 O3 S | P -1 | 7.7227; 11.4586; 13.0552 78.782; 81.895; 80.857 | 1111.55 | Maurya, Hardesh K.; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Huch, Volker; Tandon, Vishnu K.; Ji Ram, Vishnu A carbanion induced ring switching synthesis of spiranes: an unprecedented approach RSC Advances, 2012, 2, 9091 |
7238721 | CIF | C20 H26 N4 O11 | P 21 21 21 | 8.8443; 12.9861; 18.029 90; 90; 90 | 2070.7 | Theile, Christopher S.; McLaughlin, Larry W. Synthesis of 6,6′-(S)-cyclo-2′-deoxyuridine featuring a unique Barbier-style cyclization RSC Advances, 2012, 2, 11678 |
7238720 | CIF | C21 H19 Br Cl N3 O4 | P 1 21/c 1 | 11.936; 9.6365; 21.342 90; 116.511; 90 | 2196.7 | Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement RSC Advances, 2012, 2, 8949 |
7238719 | CIF | C15 H17 Cl N2 O3 | P -1 | 11.3854; 12.1629; 12.6647 97.717; 95.368; 111.818 | 1593.7 | Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement RSC Advances, 2012, 2, 8949 |
7238718 | CIF | C23 H24 Cl N3 O5 | P 1 21/n 1 | 9.3812; 19.472; 13.19 90; 106.254; 90 | 2313.1 | Lu, Zhijin; Xie, Chen; Han, Jianlin; Pan, Yi Tandem 1,5-migration/Michael reactions to prepare adducts of pyrazolone derivatives: protecting group-directed rearrangement RSC Advances, 2012, 2, 8949 |
7238717 | CIF | C32 H26 Cd2 N8 O12 S2 | F d d 2 | 35.5141; 37.5405; 10.7672 90; 90; 90 | 14355 | Sun, Jie; Wei, Yan-Hui; Liu, Fu-Ling; Sun, Di Syntheses, crystal structures and photoluminescent properties of silver(i) and cadmium(ii) coordination polymers constructed from flexible hexadentate di-Schiff base ligands RSC Advances, 2012, 2, 10189 |
7238716 | CIF | C16 H13 Ag2 N4 O6 S | P 1 21/n 1 | 11.015; 9.2725; 18.251 90; 99.203; 90 | 1840.1 | Sun, Jie; Wei, Yan-Hui; Liu, Fu-Ling; Sun, Di Syntheses, crystal structures and photoluminescent properties of silver(i) and cadmium(ii) coordination polymers constructed from flexible hexadentate di-Schiff base ligands RSC Advances, 2012, 2, 10189 |
7238715 | CIF | C24 H24 Br N3 O5 | P 21 21 21 | 5.1446; 13.3386; 33.974 90; 90; 90 | 2331.4 | Campos, Vinicius R.; Santos, Evelyne A. dos; Ferreira, Vitor F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Costa-Lotufo, Letícia V.; de Moraes, Manoel O.; Regufe, Anna K. P.; Jordão, Alessandro K.; Pinto, Angelo C.; Resende, Jackson A. L. C.; Cunha, Anna C. Synthesis of carbohydrate-based naphthoquinones and their substituted phenylhydrazono derivatives as anticancer agents RSC Advances, 2012, 2, 11438 |
7238714 | CIF | C25 H26 Br N3 O5 | P 21 21 21 | 5.864; 15.2666; 26.181 90; 90; 90 | 2343.8 | Campos, Vinicius R.; Santos, Evelyne A. dos; Ferreira, Vitor F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Costa-Lotufo, Letícia V.; de Moraes, Manoel O.; Regufe, Anna K. P.; Jordão, Alessandro K.; Pinto, Angelo C.; Resende, Jackson A. L. C.; Cunha, Anna C. Synthesis of carbohydrate-based naphthoquinones and their substituted phenylhydrazono derivatives as anticancer agents RSC Advances, 2012, 2, 11438 |
7238713 | CIF | C38 H24 N12 O9 Zn3 | P 1 21/n 1 | 8.646; 35.144; 12.0483 90; 92.381; 90 | 3657.8 | Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Duan, Ya-Ping; Bai, Liang; Yang, Jing-Jing Unique 3D CoII/ZnII-coordination polymers with (3,4,5)-connected self-penetrating topology: Syntheses, topological structures, luminescent and magnetic properties RSC Advances, 2012, 2, 11219 |
7238712 | CIF | C38 H24 Co3 N12 O9 | P 1 21/n 1 | 8.5922; 34.87; 12.1899 90; 91.989; 90 | 3650 | Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Duan, Ya-Ping; Bai, Liang; Yang, Jing-Jing Unique 3D CoII/ZnII-coordination polymers with (3,4,5)-connected self-penetrating topology: Syntheses, topological structures, luminescent and magnetic properties RSC Advances, 2012, 2, 11219 |
7238711 | CIF | C6 H21 N12 O7 P | P -1 | 6.83; 10.633; 12.576 78.645; 74.258; 71.914 | 829.3 | Huang, Sheng Tian; Wang, Gang Lin; Li, Nian Bing; Luo, Hong Qun Mechanism of the pH-induced aggregation reaction between melamine and phosphate RSC Advances, 2012, 2, 10948 |
7238710 | CIF | C19 H11 Cl N4 O S | P 1 21/n 1 | 12.3535; 9.0797; 15.881 90; 102.01; 90 | 1742.32 | Khan, Md. Nasim; Pal, Suman; Parvin, Tasneem; Choudhury, Lokman H. A simple and efficient method for the facile access of highly functionalized pyridines and their fluorescence property studies RSC Advances, 2012, 2, 12305 |
7238709 | CIF | C13 H10 I N O4 | P -1 | 7.6448; 7.9573; 11.2132 85.282; 81.158; 72.499 | 642.35 | Christensen, Mikkel Andreas; Jennum, Karsten; Abrahamsen, Peter Bæch; Pia, Eduardo Antonio Della; Lincke, Kasper; Broman, Søren Lindbæk; Nygaard, David Bo; Bond, Andrew D.; Nielsen, Mogens Brøndsted Highly fluorescent benzofuran derivatives of the GFP chromophore RSC Advances, 2012, 2, 8243 |
7238708 | CIF | C8 H14 N6 O10 U | P 1 21/n 1 | 9.0282; 13.7694; 14.72 90; 99.307; 90 | 1805.8 | Barber, Patrick S.; Kelley, Steven P.; Rogers, Robin D. Highly selective extraction of the uranyl ion with hydrophobic amidoxime-functionalized ionic liquids via η2 coordination RSC Advances, 2012, 2, 8526 |
7238707 | CIF | C20 H17 Cl2 N O | P 1 21/c 1 | 12.536; 7.7673; 18.601 90; 104.154; 90 | 1756.2 | Reddy, G. Rajeshwar; Reddy, T. Ram; Joseph, Suju C.; Reddy, K. Sateesh; Meda, Chandana Lakshmi T.; Kandale, Ajit; Rambabu, D.; Krishna, G. Rama; Reddy, C. Malla; Parsa, Kishore V. L.; Kumar, K. Shiva; Pal, Manojit Yb(OTf)3 mediated MCR: a new and regioselective approach towards polysubstituted pyrroles of pharmacological interest RSC Advances, 2012, 2, 9142 |
7238706 | CIF | C12 H14 N4 O2 | P 21 21 21 | 5.9246; 11.7114; 16.898 90; 90; 90 | 1172.5 | Monbaliu, Jean-Christophe M.; Beagle, Lucas K.; Kovacs, Judit; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R. En route towards α-benzotriazoyl nitroso derivatives RSC Advances, 2012, 2, 8941 |
7238705 | CIF | C12 H14 N4 O1.063 | P 1 21/c 1 | 11.7352; 8.5659; 12.1021 90; 110.616; 90 | 1138.63 | Monbaliu, Jean-Christophe M.; Beagle, Lucas K.; Kovacs, Judit; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R. En route towards α-benzotriazoyl nitroso derivatives RSC Advances, 2012, 2, 8941 |
7238704 | CIF | C12 H18 F6 Li N6 P | A m a 2 | 14.83; 9.225; 14.606 90; 90; 90 | 1998.2 | Seo, Daniel M.; Boyle, Paul D.; Borodin, Oleg; Henderson, Wesley A. Li+ cation coordination by acetonitrile—insights from crystallography RSC Advances, 2012, 2, 8014 |
7238703 | CIF | C19 H30 N2 O9 | P -1 | 9.2138; 9.2556; 14.723 99.6509; 96.6679; 112.748 | 1118.7 | Yamazaki, Shoko; Maenaka, Yuta; Fujinami, Ken; Mikata, Yuji Triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with activated alkenes leading to pyrazolines RSC Advances, 2012, 2, 8095 |
7238702 | CIF | C16 H19 F3 N O5 P | P -1 | 7.4669; 9.0018; 12.991 93.708; 95.044; 93.142 | 866.39 | Duda, Blazej; Tverdomed, Sergey N.; Röschenthaler, Gerd-Volker An efficient and regioselective synthetic approach towards fluorinated quinolinylphosphonates RSC Advances, 2012, 2, 9135 |
7238701 | CIF | C29 H49 N O4 S | P -1 | 8.0982; 8.6854; 23.0307 96.833; 98.696; 104.907 | 1526.1 | Lava, Kathleen; Evrard, Yannick; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen Quinolinium and isoquinolinium ionic liquid crystals RSC Advances, 2012, 2, 8061 |
7238700 | CIF | C17 H25.26 Br N O0.63 | P 1 21/n 1 | 9.8423; 13.4447; 13.1983 90; 101.539; 90 | 1711.19 | Lava, Kathleen; Evrard, Yannick; Hecke, Kristof Van; Meervelt, Luc Van; Binnemans, Koen Quinolinium and isoquinolinium ionic liquid crystals RSC Advances, 2012, 2, 8061 |
7238699 | CIF | C28 H40 N10 Ni O14 S2 | C 1 2/c 1 | 24.196; 9.5392; 16.684 90; 101.545; 90 | 3772.9 | Ramachandran, Eswaran; Raja, Duraisamy Senthil; Mike, Joshua L.; Wagner, Timothy R.; Zeller, Matthias; Natarajan, Karuppannan Evaluation on the role of terminal N-substitution in 6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde thiosemicarbazones on the biological properties of new water-soluble nickel(ii) complexes RSC Advances, 2012, 2, 8515 |
7238698 | CIF | C40 H40 Mn3 N22 O12 | P -1 | 8.9045; 10.3308; 14.0372 106.489; 100.946; 90.64 | 1212.8 | Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Xuan; Gao, En-Qing Mixed azide and carboxylate bridged trinuclear Mn(ii) and Co(ii) motifs in coordination ladders: structures and magnetism RSC Advances, 2012, 2, 10352 |
7238697 | CIF | C36 H27 N O2 | P 1 21/c 1 | 12.4387; 18.3179; 11.7836 90; 94.461; 90 | 2676.8 | Shang, Yongjia; Wang, Lifen; He, Xinwei; Zhang, Min Novel syntheses of pyrrolo[2,1-a]isoquinolines via 1,3-dipolar cycloaddition between Isoquinoliniums and alkynes RSC Advances, 2012, 2, 7681 |
7238696 | CIF | C27 H21 N O | P -1 | 9.1922; 10.0794; 11.4797 105.782; 97.609; 99.773 | 990.6 | Shang, Yongjia; Wang, Lifen; He, Xinwei; Zhang, Min Novel syntheses of pyrrolo[2,1-a]isoquinolines via 1,3-dipolar cycloaddition between Isoquinoliniums and alkynes RSC Advances, 2012, 2, 7681 |
7238695 | CIF | C19 H24 N2 O5 | P -1 | 9.868; 13.348; 15.424 66.326; 86.745; 76.657 | 1809 | Snape, Timothy J.; Karakoula, Katherine; Rowther, Farzana; Warr, Tracy Exploiting conformationally restricted N,N′-dimethyl-N,N′-diarylureas as biologically active CC double bond analogues: synthesis and biological evaluation of combretastatin A-4 analogues RSC Advances, 2012, 2, 7557 |
7238694 | CIF | C18 H22 N2 O5 | P 1 21/c 1 | 11.1965; 15.03; 10.6135 90; 106.835; 90 | 1709.5 | Snape, Timothy J.; Karakoula, Katherine; Rowther, Farzana; Warr, Tracy Exploiting conformationally restricted N,N′-dimethyl-N,N′-diarylureas as biologically active CC double bond analogues: synthesis and biological evaluation of combretastatin A-4 analogues RSC Advances, 2012, 2, 7557 |
7238693 | CIF | C18 H19 N4 O Pd S | F d d 2 | 27.9696; 35.857; 7.033 90; 90; 90 | 7053.4 | Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions RSC Advances, 2012, 2, 11751 |
7238692 | CIF | C17 H13 Cl N4 O Pd S | P 1 21/c 1 | 14.643; 7.9232; 15.771 90; 107.518; 90 | 1744.9 | Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions RSC Advances, 2012, 2, 11751 |
7238691 | CIF | C18 H13 Cl N4 O Pd S | P 1 21/c 1 | 15.5491; 7.6562; 15.7781 90; 105.304; 90 | 1811.7 | Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions RSC Advances, 2012, 2, 11751 |
7238690 | CIF | C17 H13 Fe N O | R -3 :H | 27.0951; 27.0951; 10.349 90; 90; 120 | 6579.8 | Sreeshailam, Aare; Dayaker, Gandrath; Ramana, D. Venkata; Chevallier, Floris; Roisnel, Thierry; Komagawa, Shinsuke; Takita, Ryo; Uchiyama, Masanobu; Krishna, Palakodety Radha; Mongin, Florence Synthesis of both enantiomers of ferrocene[1,2-c]1H-quinolin-2-one by diastereoselective deproto-zincation of sugar-derived ferrocene esters RSC Advances, 2012, 2, 7030 |
7238689 | CIF | C46 H56 Fe2 O14 | P 1 21 1 | 11.1999; 12.2306; 16.1208 90; 97.15; 90 | 2191.08 | Sreeshailam, Aare; Dayaker, Gandrath; Ramana, D. Venkata; Chevallier, Floris; Roisnel, Thierry; Komagawa, Shinsuke; Takita, Ryo; Uchiyama, Masanobu; Krishna, Palakodety Radha; Mongin, Florence Synthesis of both enantiomers of ferrocene[1,2-c]1H-quinolin-2-one by diastereoselective deproto-zincation of sugar-derived ferrocene esters RSC Advances, 2012, 2, 7030 |
7238688 | CIF | C13 H10 N2 O3 | P 1 21/n 1 | 14.1104; 4.8957; 16.7631 90; 94.64; 90 | 1154.2 | Saikia, Jiban; Saha, Bedabrata; Das, Gopal Morphosynthesis of framboidal stable vaterite using a salicylic acid-aniline dye as an additive RSC Advances, 2012, 2, 10015 |
7238687 | CIF | C52 H90 Cl2 N26 O28 | P -1 | 11.978; 12.7819; 24.262 104.128; 93.847; 91.5 | 3590.6 | Lin, Rui-Lian; Dong, Yong-Ping; Hu, Ying-Feng; Liu, Jing-Xin; Bai, Lin-Shang; Gao, Jia-You; Zhu, Hai-Liang; Zhao, Jing Inclusion of methylviologen in symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril RSC Advances, 2012, 2, 7754 |
7238686 | CIF | C24 H25 N O3 | P 1 21 1 | 5.9196; 19.4951; 9.1303 90; 107.906; 90 | 1002.63 | Haindl, Michael H.; Schmid, Markus B.; Zeitler, Kirsten; Gschwind, Ruth M. What is your actual catalyst? TMS cleavage rates of diarylprolinol silyl ethers studied by in situ NMR RSC Advances, 2012, 2, 5941 |
7238685 | CIF | C12 H15 N S3 | P 1 21/n 1 | 7.7884; 5.916; 28.2073 90; 95.261; 90 | 1294.21 | Ahammed, Sabir; Saha, Amit; Ranu, Brindaban C. Ruthenium catalysed one-pot synthesis of S-allyl and cinnamyl dithiocarbamates using allyl and cinnamyl acetates in water RSC Advances, 2012, 2, 6329 |
7238684 | CIF | C27 H22 O | P -1 | 8.8927; 11.1096; 11.2148 64.309; 75.677; 87.598 | 964.68 | Yao, Liang-Feng; Tan, Davin; Miao, Xiaohe; Huang, Kuo-Wei A route to hydroxylfluorenes: TsOH-mediated condensation reactions of 1,3-diketones with propargylic alcohols RSC Advances, 2012, 2, 7594 |
7238683 | CIF | C23 H21 Br N O2 P S | C 1 2/c 1 | 17.142; 14.596; 18.909 90; 111.326; 90 | 4407.2 | Meng, Xiangtai; Xie, Peizhong; Huang, You; Chen, Ruyu Organocatalytic domino reaction of salicyl N-thiophosphoryl imines and methyl vinyl ketone initiated by an aza-MBH reaction with bifunctional phosphine catalysts RSC Advances, 2012, 2, 8104 |
7238682 | CIF | C17 H13 Cl2 N O5 | P -1 | 10.851; 10.951; 14.929 87.827; 84.53; 80.818 | 1742.8 | Neves, Cláudia M. B.; Simões, Mário M. Q.; Domíngues, M.Rosário M.; Santos, Isabel C. M. S.; Neves, M.Graça P. M. S.; Paz, Filipe A. Almeida; Silva, Artur M. S.; Cavaleiro, José A. S. Oxidation of diclofenac catalyzed by manganese porphyrins: synthesis of novel diclofenac derivatives RSC Advances, 2012, 2, 7427 |
7238681 | CIF | C27 H18 Cl4 N2 O3 | P 1 21/n 1 | 12.923; 8.679; 23.217 90; 102.312; 90 | 2544.1 | Neves, Cláudia M. B.; Simões, Mário M. Q.; Domíngues, M.Rosário M.; Santos, Isabel C. M. S.; Neves, M.Graça P. M. S.; Paz, Filipe A. Almeida; Silva, Artur M. S.; Cavaleiro, José A. S. Oxidation of diclofenac catalyzed by manganese porphyrins: synthesis of novel diclofenac derivatives RSC Advances, 2012, 2, 7427 |
7238680 | CIF | C45 H39 N7 O12 | P 1 21/c 1 | 23.327; 11.333; 15.245 90; 99.697; 90 | 3973 | Singh, Ashutosh S.; Sun, Shih-Sheng Reversible encapsulation of a nitrate guest via hydrogen-bonded self-assembled capsule formation by a flexible tripodal receptor in polar solvent through dynamic self-assembly RSC Advances, 2012, 2, 9502 |
7238679 | CIF | C48 H49 N5 O9 | P -3 | 15.5323; 15.5323; 11.4631 90; 90; 120 | 2394.99 | Singh, Ashutosh S.; Sun, Shih-Sheng Reversible encapsulation of a nitrate guest via hydrogen-bonded self-assembled capsule formation by a flexible tripodal receptor in polar solvent through dynamic self-assembly RSC Advances, 2012, 2, 9502 |
7238678 | CIF | C14 H11 N O2 S | P 1 21/c 1 | 10.5093; 13.6166; 9.1287 90; 114.028; 90 | 1193.1 | Paul, Rajesh; Punniyamurthy, Tharmalingam Copper-catalysed one-pot synthesis of N-substituted benzo[d]isothiazol-3(2H)-ones via C-S/N-S bond formation RSC Advances, 2012, 2, 7057 |
7238677 | CIF | C44 H74 Li2 N4 O3 Si2 | P n a 21 | 32.031; 9.999; 15.155 90; 90; 90 | 4854 | Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes RSC Advances, 2012, 2, 6599 |
7238676 | CIF | C22 H41 Li N4 Si | P 21 21 21 | 10.24; 12.316; 20.617 90; 90; 90 | 2600.1 | Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes RSC Advances, 2012, 2, 6599 |
7238675 | CIF | C36 H60 Mg N4 O Si2 | C 1 2/c 1 | 19.456; 9.444; 21.882 90; 93.237; 90 | 4014 | Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes RSC Advances, 2012, 2, 6599 |
7238674 | CIF | C32 H50 Cu2 N4 Si2 | P -1 | 10.101; 12.616; 14.018 96.91; 98.657; 90.19 | 1753 | Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes RSC Advances, 2012, 2, 6599 |
7238673 | CIF | C20 H18 Fe O | P 1 21 1 | 7.418; 10.583; 10.003 90; 98.473; 90 | 776.7 | Busetto, Luigi; Mazzoni, Rita; Salmi, Mauro; Zacchini, Stefano; Zanotti, Valerio Iron(ii) catalyzed dehydrative etherification of alcohols: a convenient route to ferrocenylmethanol-ethers RSC Advances, 2012, 2, 6810 |
7238672 | CIF | C7 H20 O4 P2 | P 1 21/c 1 | 8.8559; 23.483; 17.042 90; 90.122; 90 | 3544.1 | Wang, Xiang-Bo; Saga, Yuta; Shen, Ruwei; Fujino, Hiroyoshi; Goto, Midori; Han, Li-Biao Umpolung catalyzed by organophosphines: efficient β,β-dimerization of vinylphosphonates affording linear dimers RSC Advances, 2012, 2, 5935 |
7238671 | CIF | C18 H17 N O2 | P 1 21/c 1 | 7.654; 16.83; 11.568 90; 99.578; 90 | 1469.4 | Zhang, Yu; Pan, Ling; Xu, Xianxiu; Liu, Qun An efficient pyrroline annulation of glycine imine with enones RSC Advances, 2012, 2, 5138 |
7238670 | CIF | C12 H17 N O5 S | P 1 | 6.8767; 8.337; 11.2958 89.913; 75.058; 89.886 | 625.7 | Mukherjee, Subhrangshu; Mandal, Sukhendu B.; Bhattacharjya, Anup Carbohydrate nitrone and nitrile oxide cycloaddition approach to chiral sulfur heterocycles and nucleosides RSC Advances, 2012, 2, 8969 |
7238669 | CIF | C17 H20 Br2 N2 Ni | P 1 21/n 1 | 12.1735; 10.4551; 14.3322 90; 100.548; 90 | 1793.3 | Dudley, Timothy J.; Beck, Jennifer E.; Santos, Earl E. P.; Johnston, Kathryn A.; Kassel, William S.; Dougherty, William G.; Boyko, Walter J.; Zubris, Deanna L. Conformational analysis via calculations and NMR spectroscopy for isomers of the mono(imino)pyridine ligand, 2-{(2,6-Me2-C6H3)NC(i-Pr)}C5H4N RSC Advances, 2012, 2, 6237 |
7238668 | CIF | C16 H16 N2 O2 | P c a 21 | 10.0436; 14.5106; 9.4623 90; 90; 90 | 1379.02 | Thalluri, Kishore; Nadimpally, Krishna Chaitanya; Paul, Ashim; Mandal, Bhubaneswar Waste reduction in amide synthesis by a continuous method based on recycling of the reaction mixture RSC Advances, 2012, 2, 6838 |
7238667 | CIF | C14 H19 N O | P -1 | 9.493; 11.707; 12.816 79.59; 73.54; 73.58 | 1302.4 | Thalluri, Kishore; Nadimpally, Krishna Chaitanya; Paul, Ashim; Mandal, Bhubaneswar Waste reduction in amide synthesis by a continuous method based on recycling of the reaction mixture RSC Advances, 2012, 2, 6838 |
7238666 | CIF | C21 H18 Ag F3 N2 O8 S | P b c n | 5.9957; 23.128; 16.303 90; 90; 90 | 2260.7 | Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands RSC Advances, 2012, 2, 8421 |
7238665 | CIF | C44 H35 Ag2 F6 N5 O14 S2 | P -1 | 11.2497; 14.6138; 15.2418 85.752; 73.783; 72.581 | 2295.6 | Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands RSC Advances, 2012, 2, 8421 |
7238664 | CIF | C20 H16 N2 O4 | P 1 21/c 1 | 7.831; 8.838; 12.436 90; 93.886; 90 | 858.7 | Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands RSC Advances, 2012, 2, 8421 |
7238663 | CIF | C20 H16 N2 O4 | P 1 21/n 1 | 5.6023; 16.038; 9.1681 90; 97.593; 90 | 816.5 | Kumar Bisht, Kamal; Cherian Kathalikkattil, Amal; Suresh, Eringathodi Structure modulation, argentophilic interactions and photoluminescence properties of silver(i) coordination polymers with isomeric N-donor ligands RSC Advances, 2012, 2, 8421 |
7238662 | CIF | C29 H18 Cl N | P 1 21/n 1 | 8.218; 12.994; 20.049 90; 98.997; 90 | 2114.6 | Anvar, Salma; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Kia, Reza Efficient and environmentally-benign three-component synthesis of quinolines and bis-quinolines catalyzed by recyclable potassium dodecatungstocobaltate trihydrate under microwave irradiation RSC Advances, 2012, 2, 8713 |
7238661 | CIF | C30 H21 N O | P 1 21/c 1 | 8.1823; 13.029; 20.97 90; 104.99; 90 | 2159.5 | Anvar, Salma; Mohammadpoor-Baltork, Iraj; Tangestaninejad, Shahram; Moghadam, Majid; Mirkhani, Valiollah; Khosropour, Ahmad Reza; Kia, Reza Efficient and environmentally-benign three-component synthesis of quinolines and bis-quinolines catalyzed by recyclable potassium dodecatungstocobaltate trihydrate under microwave irradiation RSC Advances, 2012, 2, 8713 |
7238660 | CIF | C6 H8 F3 N3 O S | P 1 2/c 1 | 11.767; 6.7984; 13.303 90; 115.03; 90 | 964.3 | Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Kia, Reza Application of a multi-SO3H Brønsted acidic ionic liquid in water: a highly efficient and reusable catalyst for the regioselective and scaled-up synthesis of pyrazoles under mild conditions RSC Advances, 2012, 2, 5610 |
7238659 | CIF | C14 H8 Cl F3 N2 S | P c a 21 | 25.542; 9.4168; 6.0399 90; 90; 90 | 1452.7 | Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Kia, Reza Application of a multi-SO3H Brønsted acidic ionic liquid in water: a highly efficient and reusable catalyst for the regioselective and scaled-up synthesis of pyrazoles under mild conditions RSC Advances, 2012, 2, 5610 |
7238658 | CIF | C13 H10 Cl N2 | P -1 | 7.115; 12.488; 14.141 73.839; 87.734; 81.732 | 1194.3 | Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah; Kia, Reza Application of a multi-SO3H Brønsted acidic ionic liquid in water: a highly efficient and reusable catalyst for the regioselective and scaled-up synthesis of pyrazoles under mild conditions RSC Advances, 2012, 2, 5610 |
7238657 | CIF | C8 H19 Ag6 N16 O42 P S6 W12 | P 1 21/n 1 | 9.9493; 14.0796; 19.906 90; 101.585; 90 | 2731.7 | Yang, Yanan; Gong, Jingjing; Zhang, Weisong; Zhang, Hengchao; Zhang, Lili; Liu, Yang; Huang, Hui; Hu, Hailiang; Kang, Zhenhui High-connected strategy of polyoxometalates towards model of core‒shell nanostructure RSC Advances, 2012, 2, 6414 |
7238656 | CIF | C8 H16 Ag8 N16 O42 S4 Si W12 | P 1 21/n 1 | 10.0393; 13.9688; 19.893 90; 102.369; 90 | 2725 | Yang, Yanan; Gong, Jingjing; Zhang, Weisong; Zhang, Hengchao; Zhang, Lili; Liu, Yang; Huang, Hui; Hu, Hailiang; Kang, Zhenhui High-connected strategy of polyoxometalates towards model of core‒shell nanostructure RSC Advances, 2012, 2, 6414 |
7238655 | CIF | C8 H16 Cu3 N16 O40 P W12 | P 1 21/n 1 | 16.9285; 14.9877; 19.0063 90; 93.066; 90 | 4815.4 | Yang, Yanan; Gong, Jingjing; Zhang, Weisong; Zhang, Hengchao; Zhang, Lili; Liu, Yang; Huang, Hui; Hu, Hailiang; Kang, Zhenhui High-connected strategy of polyoxometalates towards model of core‒shell nanostructure RSC Advances, 2012, 2, 6414 |
7238654 | CIF | C128 H111.2 Co3 N8 O17.6 P4 | P -1 | 10.5181; 14.22; 19.9005 77.689; 84.636; 79.795 | 2857.2 | Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Muthiah, Packianathan Thomas; Dharmaraj, Nallasamy Nickel and cobalt complexes of benzoic acid (2-hydroxy-benzylidene)-hydrazide ligand: synthesis, structure and comparative in vitro evaluations of biological perspectives RSC Advances, 2012, 2, 12190 |
7238653 | CIF | C32 H25 N2 Ni O2 P | P 1 21/c 1 | 14.6153; 10.1839; 17.6301 90; 93.013; 90 | 2620.45 | Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Muthiah, Packianathan Thomas; Dharmaraj, Nallasamy Nickel and cobalt complexes of benzoic acid (2-hydroxy-benzylidene)-hydrazide ligand: synthesis, structure and comparative in vitro evaluations of biological perspectives RSC Advances, 2012, 2, 12190 |
7238652 | CIF | C30 H24 Cr O3 S3 | P 1 21/c 1 | 11.7886; 24.6453; 10.2118 90; 115.625; 90 | 2675.1 | Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W. Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes RSC Advances, 2012, 2, 6049 |
7238651 | CIF | C23 H18 Cr O3 S2 | P -1 | 9.013; 10.2094; 12.8603 106.757; 99.0147; 109.56 | 1024.83 | Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W. Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes RSC Advances, 2012, 2, 6049 |
7238650 | CIF | C13 H14 Cr O3 S2 | P 1 21/n 1 | 10.6871; 7.2672; 18.787 90; 97.4396; 90 | 1446.8 | Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W. Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes RSC Advances, 2012, 2, 6049 |
7238649 | CIF | C11 H10 Cr O3 S2 | P 1 21/n 1 | 6.349; 25.347; 7.531 90; 91.629; 90 | 1211.5 | Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W. Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes RSC Advances, 2012, 2, 6049 |
7238648 | CIF | C11 H10 Cr O3 S2 | P -1 | 6.3675; 7.5155; 13.1748 105.757; 94.059; 91.292 | 604.69 | Woolford, Helen; Elsegood, Mark R. J.; Weaver, George W. Lithiation of η6-fluorobenzenetricarbonylchromium(0) and reaction with dialkyl disulfides: synthesis of η6-1,2-bis- and 1,2,3-tris-alkylsulfanylbenzenetricarbonylchromium(0) complexes RSC Advances, 2012, 2, 6049 |
7238647 | CIF | C50 H90 Ba N22 O31 | P b c a | 23.864; 18.914; 29.501 90; 90; 90 | 13316 | Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril RSC Advances, 2012, 2, 5663 |
7238646 | CIF | C50 H82 N24 O32 Sr2 | P -1 | 11.3443; 15.8451; 18.6881 90.005; 97.736; 103.096 | 3240.4 | Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril RSC Advances, 2012, 2, 5663 |
7238645 | CIF | C100 H188 Ca4 N48 O78 | P -1 | 12.7739; 15.246; 19.3151 82.978; 84.402; 71.136 | 3526.1 | Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril RSC Advances, 2012, 2, 5663 |
7238644 | CIF | C24 H27 N3 | P 1 21/c 1 | 11.6045; 11.6974; 15.6896 90; 102.044; 90 | 2082.9 | Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’ RSC Advances, 2012, 2, 5506 |
7238643 | CIF | C24 H24 Br Cl2 N3 | P n a 21 | 13.3588; 10.7992; 16.6412 90; 90; 90 | 2400.7 | Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’ RSC Advances, 2012, 2, 5506 |
7238642 | CIF | C26 H26 Cl3 N3 | P 1 21/n 1 | 12.9999; 11.9658; 16.7478 90; 92.12; 90 | 2603.4 | Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’ RSC Advances, 2012, 2, 5506 |
7238641 | CIF | C25 H28 Br4 N4 | P b a n :2 | 17.826; 12.506; 12.588 90; 90; 90 | 2806.3 | Selvakumar, P. M.; Jebaraj, P. Yowan; Sahoo, Jashobanta; Suresh, E.; Prathap, K. Jeya; Kureshy, R. I.; Subramanian, P. S. The first bromide ion directed double helicate and its role in catalysis RSC Advances, 2012, 2, 7689 |
7238640 | CIF | C20 H18 O3 | P 21 21 21 | 8.1778; 8.9545; 21.7298 90; 90; 90 | 1591.23 | Surya Prakash Rao, H.; Vijjapu, Satish Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products RSC Advances, 2012, 2, 6773 |
7238639 | CIF | C20 H16 O2 | R -3 :H | 17.7499; 17.7499; 24.507 90; 90; 120 | 6686.7 | Surya Prakash Rao, H.; Vijjapu, Satish Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products RSC Advances, 2012, 2, 6773 |
7238638 | CIF | C24 H22 O3 | P 1 21/c 1 | 11.6236; 10.7231; 14.8535 90; 101.277; 90 | 1815.6 | Surya Prakash Rao, H.; Vijjapu, Satish Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products RSC Advances, 2012, 2, 6773 |
7238637 | CIF | C22 H18 O | P 1 21/c 1 | 13.049; 5.359; 21.62 90; 94.35; 90 | 1507.5 | Surya Prakash Rao, H.; Vijjapu, Satish Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products RSC Advances, 2012, 2, 6773 |
7238636 | CIF | C19 H18 O3 | P -1 | 8.2005; 9.5269; 11.4959 65.961; 85.022; 66.268 | 747.7 | Surya Prakash Rao, H.; Vijjapu, Satish Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products RSC Advances, 2012, 2, 6773 |
7238635 | CIF | C16 H14 Br2 N2 O4 | C 1 2/c 1 | 25.383; 21.318; 15.956 90; 123.863; 90 | 7169 | Ji, Xiaoyun; Duan, Zhiqiang; Qian, Yu; Han, Jianlin; Li, Guigen; Pan, Yi Highly regioselective aminobromination of α,β-unsaturated nitro compounds with benzyl carbamate/N-bromosuccinimide as nitrogen/bromine source RSC Advances, 2012, 2, 5565 |
7238634 | CIF | C16 H15 N O | P 1 21/c 1 | 10.7911; 8.3666; 6.8985 90; 93.084; 90 | 621.93 | Xuan, Jun; Feng, Zhu-Jia; Duan, Shu-Wen; Xiao, Wen-Jing Room temperature synthesis of isoquino[2,1-a][3,1]oxazine and isoquino[2,1-a]pyrimidine derivatives via visible light photoredox catalysis RSC Advances, 2012, 2, 4065 |
7238633 | CIF | C34 H30 Cd2 N2 O10 Si | I 4/m | 12.9879; 12.9879; 25.025 90; 90; 90 | 4221.4 | Zhao, Xiaoliang; Zhang, Liangliang; Ma, Huiqing; Sun, Di; Wang, Dengxu; Feng, Shengyu; Sun, Daofeng Solvent-controlled Cd(ii) metal‒organic frameworks constructed from a tetrapodal silicon-based linker RSC Advances, 2012, 2, 5543 |
7238632 | CIF | C64 H52 Cd4 N2 O26 Si2 | P 41 | 15.6484; 15.6484; 36.3862 90; 90; 90 | 8909.98 | Zhao, Xiaoliang; Zhang, Liangliang; Ma, Huiqing; Sun, Di; Wang, Dengxu; Feng, Shengyu; Sun, Daofeng Solvent-controlled Cd(ii) metal‒organic frameworks constructed from a tetrapodal silicon-based linker RSC Advances, 2012, 2, 5543 |
7238631 | CIF | C50 H41 As2 Cl N2 O2 Ru S | C 1 2/c 1 | 41.1816; 11.3351; 40.5037 90; 108.586; 90 | 17921 | Prabhu, Rupesh Narayana; Ramesh, Rengan Ruthenium(ii) carbonyl complexes containing benzhydrazone ligands: synthesis, structure and facile one-pot conversion of aldehydes to amides RSC Advances, 2012, 2, 4515 |
7238630 | CIF | C49 H39 As2 Cl N2 O2 Ru S | P 1 21/c 1 | 16.86; 11.836; 23.186 90; 109.358; 90 | 4365 | Prabhu, Rupesh Narayana; Ramesh, Rengan Ruthenium(ii) carbonyl complexes containing benzhydrazone ligands: synthesis, structure and facile one-pot conversion of aldehydes to amides RSC Advances, 2012, 2, 4515 |
7238629 | CIF | C16 H15 N O2 | P 1 21/n 1 | 11.718; 5.5721; 20.637 90; 104.252; 90 | 1306 | Zhan, Chunjing; Jia, Jiong; Yang, Bingchuan; Huang, Aiping; Liu, Yanli; Ma, Chen A tandem coupling/smiles rearrangement/cyclization approach to 1,4-benzooxazinones or 1,4-pyridooxazinones under mild conditions RSC Advances, 2012, 2, 7506 |
7238628 | CIF | C20 H15 N3 O2 | P -1 | 8.2036; 10.3079; 10.9919 76.796; 78.813; 70.229 | 844.64 | Kumar, Rapolu Kiran; Punniyamurthy, Tharmalingam Palladium-catalyzed aerobic oxidative C‒H amination: synthesis of 2-unsubstituted and 2-substituted N-aryl benzimidazoles RSC Advances, 2012, 2, 4616 |
7238627 | CIF | C20 H24 N2 | P -1 | 8.8353; 10.145; 11.616 106.121; 109.391; 101.989 | 890.3 | Kumar, Rapolu Kiran; Punniyamurthy, Tharmalingam Palladium-catalyzed aerobic oxidative C‒H amination: synthesis of 2-unsubstituted and 2-substituted N-aryl benzimidazoles RSC Advances, 2012, 2, 4616 |
7238626 | CIF | C24 H32 S3 | P 1 21/n 1 | 23.9436; 5.6253; 52.4024 90; 97.817; 90 | 6992.5 | Wedl, Bernhard; Resel, Roland; Leising, Günther; Kunert, Birgit; Salzmann, Ingo; Oehzelt, Martin; Koch, Norbert; Vollmer, Antje; Duhm, Steffen; Werzer, Oliver; Gbabode, Gabin; Sferrazza, Michele; Geerts, Yves Crystallisation kinetics in thin films of dihexyl-terthiophene: the appearance of polymorphic phases RSC Advances, 2012, 2, 4404 |
7238625 | CIF | C13.83 H22.67 N O3 | R -3 c :H | 25.104; 25.104; 30 90; 90; 120 | 16373.4 | Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Rizzato, Egon; Zaman, Md. Badruz; Chan, Gordon; Ouari, Olivier; Tordo, Paul Perturbation induced formation of a 3D-network of microcrystals producing soft materials RSC Advances, 2012, 2, 5605 |
7238624 | CIF | C14 H16 N4 O3 | P 21 21 21 | 5.637; 10.2308; 24.765 90; 90; 90 | 1428.22 | Sedash, Yuriy V.; Gorobets, Nikolay Yu.; Chebanov, Valentin A.; Konovalova, Irina S.; Shishkin, Oleg V.; Desenko, Sergey M. Dotting the i's in three-component Biginelli-like condensations using 3-amino-1,2,4-triazole as a 1,3-binucleophile RSC Advances, 2012, 2, 6719 |
7238623 | CIF | C21 H15 N O | P 1 21/c 1 | 13.74; 7.0021; 15.55 90; 95.82; 90 | 1488.3 | Yao, Changsheng; Qin, Bingbin; Zhang, Honghong; Lu, Jun; Wang, Donglin; Tu, Shujiang One-pot solvent-free synthesis of quinolines by C‒H activation/C‒C Bond formation catalyzed by recyclable iron(iii) triflate RSC Advances, 2012, 2, 3759 |
7238622 | CIF | C22 H15 Cl2 N | P 1 21/c 1 | 8.486; 15.397; 14.367 90; 111.573; 90 | 1745.7 | Yao, Changsheng; Qin, Bingbin; Zhang, Honghong; Lu, Jun; Wang, Donglin; Tu, Shujiang One-pot solvent-free synthesis of quinolines by C‒H activation/C‒C Bond formation catalyzed by recyclable iron(iii) triflate RSC Advances, 2012, 2, 3759 |
7238621 | CIF | C13 H16 N O13 P Tb | P -1 | 7.8354; 9.91; 12.852 67.78; 89.721; 80.236 | 908.5 | Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties RSC Advances, 2012, 2, 6680 |
7238620 | CIF | C13 H16 Gd N O13 P | P -1 | 7.8439; 9.9333; 12.839 67.578; 89.872; 80.597 | 910.3 | Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties RSC Advances, 2012, 2, 6680 |
7238619 | CIF | C13 H16 Eu N O13 P | P -1 | 7.864; 9.964; 12.842 67.521; 89.856; 80.711 | 915.7 | Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties RSC Advances, 2012, 2, 6680 |
7238618 | CIF | C13 H16 Dy N O13 P | P -1 | 7.8235; 9.9093; 12.8402 67.621; 89.76; 80.47 | 905.88 | Cao, Deng-Ke; Zhang, Yu-Hao; Huang, Jian; Liu, Bin; Zheng, Li-Min Isostructural lanthanide oxalatophosphonates Ln(5pm8hqH3)(C2O4)1.5(H2O)·2H2O [Ln(iii) = Eu, Gd, Tb, Dy] (5pm8hqH3 = 5-phosphonomethyl-8-hydroxyquinoline): structures, magnetic and fluorescent properties RSC Advances, 2012, 2, 6680 |
7238617 | CIF | C76 H143 Cl4 N5 O46 | P 1 21/n 1 | 16.1814; 21.722; 29.3019 90; 103.233; 90 | 10025.9 | Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry RSC Advances, 2012, 2, 3920 |
7238616 | CIF | C33 H56 Cl2 N2 O18 | P -1 | 8.8552; 14.235; 16.8384 110.236; 95.478; 90.002 | 1981.2 | Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry RSC Advances, 2012, 2, 3920 |
7238615 | CIF | C42 H66 Cl4 N4 O25 | P 1 21/c 1 | 17.19; 16.795; 18.068 90; 92.64; 90 | 5210.8 | Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry RSC Advances, 2012, 2, 3920 |
7238614 | CIF | C40 H68 Cl2 N4 O21 | P -1 | 12.2134; 13.2564; 17.0677 75.025; 71.73; 72.189 | 2457.6 | Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry RSC Advances, 2012, 2, 3920 |
7238613 | CIF | C81 H118 Cl6 N6 O50 | P -1 | 11.9802; 12.7041; 34.277 85.19; 89.215; 89.297 | 5197.7 | Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry RSC Advances, 2012, 2, 3920 |
7238612 | CIF | C38 H60 Cl4 N4 O28 | P 1 21/n 1 | 17.7353; 15.4444; 19.7642 90; 112.756; 90 | 4992.2 | Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry RSC Advances, 2012, 2, 3920 |
7238611 | CIF | C21 H40 Cl2 N2 O16 | P 1 21 1 | 8.3389; 14.6212; 12.1621 90; 104.483; 90 | 1435.74 | Sarma, Monima; Chatterjee, Tanmay; Das, Samar K. Ammonium‒crown ether based host‒guest systems: N‒H⋯O hydrogen bond directed guest inclusion featuring N‒H donor functionalities in angular geometry RSC Advances, 2012, 2, 3920 |
7238610 | CIF | C27 H24 N3 O2 P Pd | P -1 | 10.1264; 14.1165; 16.8322 80.414; 84.706; 78.503 | 2320.6 | Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions RSC Advances, 2012, 2, 5254 |
7238609 | CIF | C30 H24 N3 O3 P Pd | P 1 21/n 1 | 9.1; 16.7; 18.4 90; 100.39; 90 | 2750.4 | Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions RSC Advances, 2012, 2, 5254 |
7238608 | CIF | C67 H53 Cl N3 O3 P3 Pd Ru | P -1 | 19.145; 26.722; 26.88 66.307; 89.242; 87.514 | 12581 | Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions RSC Advances, 2012, 2, 5254 |
7238607 | CIF | C67 H57 Cl N5 O3 P3 Pd Ru | P -1 | 10.2779; 13.7689; 22.0341 99.315; 103.302; 100.393 | 2916.58 | Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions RSC Advances, 2012, 2, 5254 |
7238606 | CIF | C30 H22 O3 | P 1 21/c 1 | 13.7895; 16.0801; 9.8741 90; 101.502; 90 | 2145.5 | Zhang, Hao; Cui, Wei-Chen; Hu, Zhi-Long; Yu, Shu-Yan; Wang, Shaozhong; Yao, Zhu-Jun Brønsted acid-promoted dimerization of o-alkynylbenzaldehydes: a one-step synthesis of functionalized Kagan's ether analogues RSC Advances, 2012, 2, 5101 |
7238605 | CIF | C17 H15 N3 O5 | P 21 21 21 | 9.4235; 10.3957; 15.9888 90; 90; 90 | 1566.3 | Dorofeeva, Evgeniya O.; Elinson, Michail N.; Vereshchagin, Anatoly N.; Stepanov, Nikita O.; Bushmarinov, Ivan S.; Belyakov, Pavel A.; Sokolova, Olga O.; Nikishin, Gennady I. Electrocatalysis in MIRC reaction strategy: facile stereoselective approach to medicinally relevant spirocyclopropylbarbiturates from barbituric acids and activated olefins RSC Advances, 2012, 2, 4444 |
7238604 | CIF | C51 H61 K2 N4 O30 Zn4 | P 1 21/c 1 | 12.4598; 20.593; 27.475 90; 81.456; 90 | 6971.4 | Patra, Ayan; Sen, Tamal K.; Bhattacharyya, Rangeet; Mandal, Swadhin K.; Bera, Manindranath Diversity of carboxylate binding in a new tetranuclear zinc cluster: correlation between spectroscopic investigations and carboxylate binding modes RSC Advances, 2012, 2, 1774 |
7238603 | CIF | C47 H50 Cl6 Fe2 N8 O9 S8 | P 1 21/c 1 | 12.807; 32.336; 15.201 90; 105.175; 90 | 6075.6 | Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties RSC Advances, 2012, 2, 2517 |
7238602 | CIF | C46.5 H51.5 Fe2 N8 O10.5 S8 | A e a 2 | 23.038; 10.461; 22.989 90; 90; 90 | 5540 | Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties RSC Advances, 2012, 2, 2517 |
7238601 | CIF | C24 H32 Cl2 Fe N4 O6 S4 | P 1 21/c 1 | 10.394; 9.405; 17.332 90; 114.676; 90 | 1539.6 | Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties RSC Advances, 2012, 2, 2517 |
7238600 | CIF | C35 H35 Cl6 Fe N6 O6 S6 | P -1 | 11.227; 13.922; 15.914 69.021; 89.488; 77.92 | 2265.1 | Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties RSC Advances, 2012, 2, 2517 |
7238599 | CIF | C34 H35 Cl2 Mn N6 O6 S6 | P -1 | 10.429; 11.778; 17.263 105.39; 91.37; 90.35 | 2043.7 | Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties RSC Advances, 2012, 2, 2517 |
7238598 | CIF | C27 H29 Mn N4 O6 S4 | P 1 21/c 1 | 11.712; 12.67; 20.965 90; 98.49; 90 | 3076.9 | Zuo, Weiwei; Rosa, Vitor; Tourbillon, Clarisse; Specklin, David; Khaled, Cheaib; Kurmoo, Mohamedally; Welter, Richard Mononuclear and dinuclear complexes of manganese(iii) and Iron(iii) supported by 2-salicyloylhydrazono-1,3-dithiane ligand: synthesis, characterization and magnetic properties RSC Advances, 2012, 2, 2517 |
7238597 | CIF | C21 H13 N O2 | P 1 21/c 1 | 12.388; 12.645; 10.535 90; 112.9; 90 | 1520.2 | Pratap, Ramendra; Raghunandan, Resmi; Kumar, Abhinav; Ram, Vishnu Ji Bicyclic ketone mediated synthesis of oxygenated aromatic systems RSC Advances, 2012, 2, 2688 |
7238596 | CIF | C32 H38 Mg N4 O2 | P -1 | 10.453; 11.456; 12.516 84.02; 76.88; 89.43 | 1451.6 | Lin, Miaoshui; Liu, Wei; Chen, Zhou; Yang, Lijuan; Pei, Hao; Wu, Jian; Wan, Xiaoyu; Lei, Tao; Li, Yahong Magnesium complexes supported by pyrrolyl ligands: syntheses, characterizations, and catalytic activities towards the polymerization of ε-caprolactone RSC Advances, 2012, 2, 3451 |
7238595 | CIF | C30 H34 Mg N4 O2 | P 1 21/n 1 | 9.986; 14.269; 19.278 90; 92.42; 90 | 2744.5 | Lin, Miaoshui; Liu, Wei; Chen, Zhou; Yang, Lijuan; Pei, Hao; Wu, Jian; Wan, Xiaoyu; Lei, Tao; Li, Yahong Magnesium complexes supported by pyrrolyl ligands: syntheses, characterizations, and catalytic activities towards the polymerization of ε-caprolactone RSC Advances, 2012, 2, 3451 |
7238594 | CIF | C24 H24 Mg N6 | C 1 2/c 1 | 28.215; 16.504; 14.405 90; 98.59; 90 | 6633 | Lin, Miaoshui; Liu, Wei; Chen, Zhou; Yang, Lijuan; Pei, Hao; Wu, Jian; Wan, Xiaoyu; Lei, Tao; Li, Yahong Magnesium complexes supported by pyrrolyl ligands: syntheses, characterizations, and catalytic activities towards the polymerization of ε-caprolactone RSC Advances, 2012, 2, 3451 |
7238593 | CIF | C73 H93 N11 Ni6 O17 | P b c n | 27.556; 16.8879; 17.3304 90; 90; 90 | 8064.9 | Liu, Shizheng; Wang, Suna; Cao, Fan; Fu, Haiying; Li, Dacheng; Dou, Jianmin Crystallization condition-controlled assembly of oxygen-bridged tetranuclear and hexanuclear Ni(ii) clusters: syntheses, structures and properties RSC Adv., 2012, 2, 1310 |
7238592 | CIF | C42 H52 N4 Ni4 O10 | P 1 21/c 1 | 13.0082; 12.0689; 13.7934 90; 107.583; 90 | 2064.3 | Liu, Shizheng; Wang, Suna; Cao, Fan; Fu, Haiying; Li, Dacheng; Dou, Jianmin Crystallization condition-controlled assembly of oxygen-bridged tetranuclear and hexanuclear Ni(ii) clusters: syntheses, structures and properties RSC Adv., 2012, 2, 1310 |
7238591 | CIF | C18 H32 O6 | P 1 21 1 | 5.5386; 7.0291; 23.255 90; 93.015; 90 | 904.1 | Ganesan, M.; Muraleedharan, K. M. Oxanorbornane-based amphiphilic systems: design, synthesis and material properties RSC Advances, 2012, 2, 4048 |
7238590 | CIF | C28 H42 O8 | P -1 | 5.474; 12.149; 21.524 82.9; 86.9; 89.09 | 1418.3 | Ganesan, M.; Muraleedharan, K. M. Oxanorbornane-based amphiphilic systems: design, synthesis and material properties RSC Advances, 2012, 2, 4048 |
7238589 | CIF | Cl3 Co H18 N6 O12 | F m -3 m | 11.455; 11.455; 11.455 90; 90; 90 | 1503.1 | Górska, Natalia; Inaba, Akira; Hirao, Yasukazu; Mikuli, Edward; Hołderna-Natkaniec, Krystyna Structure, molecular motion, and phase transition of a highly disordered crystal [Co(NH3)6](ClO4)3 RSC Advances, 2012, 2, 4283 |
7238588 | CIF | Cl3 Co H18 N6 O12 | I a -3 | 22.766; 22.766; 22.766 90; 90; 90 | 11799.4 | Górska, Natalia; Inaba, Akira; Hirao, Yasukazu; Mikuli, Edward; Hołderna-Natkaniec, Krystyna Structure, molecular motion, and phase transition of a highly disordered crystal [Co(NH3)6](ClO4)3 RSC Advances, 2012, 2, 4283 |
7238587 | CIF | C202 H182 Cl8 Cu8 N50 O38 | P 1 2/c 1 | 37.5021; 15.4876; 42.453 90; 114.594; 90 | 22420.5 | Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D. An octanuclear helical ‘molecular wheel’ from hierarchical assembly of four dinuclear Cu2 units in a mixed-ligand array RSC Advances, 2012, 2, 1326 |
7238586 | CIF | C21 H26 N2 O5 | P 1 21/n 1 | 7.28347; 21.3595; 12.9832 90; 94.065; 90 | 2014.73 | Kulikov, Oleg V.; Hamilton, Andrew D. Synthesis of the novel trimeric benzamides—potential inhibitors of protein‒protein interactions RSC Advances, 2012, 2, 2454 |
7238585 | CIF | C27 H38 N2 O5 | C 1 2/c 1 | 26.2228; 7.12522; 29.983 90; 111.349; 90 | 5217.7 | Kulikov, Oleg V.; Hamilton, Andrew D. Synthesis of the novel trimeric benzamides—potential inhibitors of protein‒protein interactions RSC Advances, 2012, 2, 2454 |
7238584 | CIF | C25 H17 N O2 | P 1 21/c 1 | 8.3769; 29.7404; 7.7536 90; 117.13; 90 | 1719.14 | Malińska, Maura; Nowacki, Jacek; Kapturkiewicz, Andrzej; Woźniak, Krzysztof Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies RSC Advances, 2012, 2, 4318 |
7238583 | CIF | C20 H15 N O S | P 1 21/n 1 | 8.8508; 7.665; 22.6191 90; 91.734; 90 | 1533.81 | Malińska, Maura; Nowacki, Jacek; Kapturkiewicz, Andrzej; Woźniak, Krzysztof Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies RSC Advances, 2012, 2, 4318 |
7238582 | CIF | C20 H15 N O2 | P -1 | 7.6407; 9.6786; 10.6854 65.63; 89.433; 89.894 | 719.75 | Malińska, Maura; Nowacki, Jacek; Kapturkiewicz, Andrzej; Woźniak, Krzysztof Differences in electron densities of phenoxazine and phenothiazine derivatives—charge density studies RSC Advances, 2012, 2, 4318 |
7238581 | CIF | C36 H58 Dy N23 O32 | P 65 | 14.531; 14.531; 46.07 90; 90; 120 | 8424.4 | Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution RSC Advances, 2012, 2, 3217 |
7238580 | CIF | C30 H52 Cl Dy N22 O27 | P 1 21/n 1 | 14.473; 22.512; 16.595 90; 101.605; 90 | 5296.4 | Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution RSC Advances, 2012, 2, 3217 |
7238579 | CIF | C36 H58 Dy N23 O32 | P 61 | 14.4478; 14.4478; 46.109 90; 90; 120 | 8335 | Chen, Kai; Hu, Ying-Feng; Xiao, Xin; Xue, Sai-Feng; Tao, Zhu; Zhang, Yun-Qian; Zhu, Qian-Jiang; Liu, Jing-Xin Homochiral 1D-helical coordination polymers from achiral cucurbit[5]uril: hydroquinone-induced spontaneous resolution RSC Advances, 2012, 2, 3217 |
7238578 | CIF | C34 H43 N O7 | P 1 21 1 | 9.5025; 9.9525; 17.3337 90; 104.11; 90 | 1589.85 | Qin, Jiang-Jiang; Huang, Ying; Wang, Dan; Cheng, Xiang-Rong; Zeng, Qi; Zhang, Shou-De; Hu, Zhen-Lin; Jin, Hui-Zi; Zhang, Wei-Dong Lineariifolianoids A‒D, rare unsymmetrical sesquiterpenoid dimers comprised of xanthane and guaiane framework units from Inula lineariifolia RSC Advances, 2012, 2, 1307 |
7238577 | CIF | C136 H176 O40 | P 1 21 1 | 10.9631; 21.0687; 14.2884 90; 94.404; 90 | 3290.57 | Qin, Jiang-Jiang; Huang, Ying; Wang, Dan; Cheng, Xiang-Rong; Zeng, Qi; Zhang, Shou-De; Hu, Zhen-Lin; Jin, Hui-Zi; Zhang, Wei-Dong Lineariifolianoids A‒D, rare unsymmetrical sesquiterpenoid dimers comprised of xanthane and guaiane framework units from Inula lineariifolia RSC Advances, 2012, 2, 1307 |
7238576 | CIF | C20 H14 Fe O3 | P b c a | 12.377; 10.686; 23.309 90; 90; 90 | 3083 | Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Singh, Maya Shankar InCl3 catalyzed domino route to 2H-chromene-2-ones via [4 + 2] annulation of 2-hydroxyarylaldehydes with α-oxoketene dithioacetal under solvent-free conditions RSC Advances, 2012, 2, 2413 |
7238575 | CIF | C13.33 H7.33 Cl0.67 O2 S0 | P -1 | 7.3853; 9.6126; 10.888 84.694; 87.875; 84.71 | 766.05 | Verma, Rajiv Kumar; Verma, Girijesh Kumar; Shukla, Gaurav; Singh, Maya Shankar InCl3 catalyzed domino route to 2H-chromene-2-ones via [4 + 2] annulation of 2-hydroxyarylaldehydes with α-oxoketene dithioacetal under solvent-free conditions RSC Advances, 2012, 2, 2413 |
7238574 | CIF | C12 H16 Ba N6 O20 | P -1 | 6.6417; 11.5885; 15.0331 84.647; 80.07; 86.803 | 1133.82 | Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids RSC Advances, 2012, 2, 3691 |
7238573 | CIF | C9 H12 Cl N5 O7 | C 1 2/c 1 | 24.168; 7.3756; 17.062 90; 116.19; 90 | 2729.1 | Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids RSC Advances, 2012, 2, 3691 |
7238572 | CIF | C8 H20 Cl2 N14 | P -1 | 8.8517; 8.872; 11.5295 80.981; 83.47; 71.379 | 845.47 | Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids RSC Advances, 2012, 2, 3691 |
7238571 | CIF | C6 H20 Cl2 N4 O4 S | C 1 2/c 1 | 11.674; 17.503; 6.616 90; 90.27; 90 | 1351.8 | Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids RSC Advances, 2012, 2, 3691 |
7238570 | CIF | C3 H10 Cl2 N2 O4 | P -1 | 5.9899; 7.4765; 9.347 93.62; 101.1; 91.12 | 409.73 | Miró Sabaté, Carles; Delalu, Henri; Forquet, Valérian; Jeanneau, Erwann Salts of 1-(chloromethyl)-1,1-dimethylhydrazine and ionic liquids RSC Advances, 2012, 2, 3691 |
7238569 | CIF | C25 H17 B2 F8 N5 O3 Ru | P -1 | 8.4478; 8.9532; 17.6431 94.079; 91.367; 98.405 | 1315.96 | Chowdhury, Abhishek Dutta; De, Prinaka; Mobin, Shaikh M.; Lahiri, Goutam Kumar Influence of nitrosyl coordination on the binding mode of quinaldate in selective ruthenium frameworks. Electronic structure and reactivity aspects RSC Advances, 2012, 2, 3437 |
7238568 | CIF | C25 H17 B Cl F4 N5 O8 Ru | P -1 | 8.516; 10.1858; 16.7736 92.631; 102.713; 93.147 | 1414.66 | Chowdhury, Abhishek Dutta; De, Prinaka; Mobin, Shaikh M.; Lahiri, Goutam Kumar Influence of nitrosyl coordination on the binding mode of quinaldate in selective ruthenium frameworks. Electronic structure and reactivity aspects RSC Advances, 2012, 2, 3437 |
7238567 | CIF | C27 H23 Cl3 N4 O2 | P -1 | 8.0866; 12.1875; 13.9665 83.079; 80.504; 74.566 | 1304.4 | Parmar, Narsidas J.; Patel, Rikin A.; Teraiya, Shashikant B.; Sharma, Deepak; Gupta, Vivek K. Catalyst-and solvent-free one-pot synthesis of some novel polyheterocycles from aryldiazenyl salicylaldehyde derivatives RSC Advances, 2012, 2, 3069 |
7238566 | CIF | C26 H31 N3 | P 1 21/c 1 | 10.952; 11.761; 17.935 90; 105.09; 90 | 2230.5 | Pratap, Ramendra; Raghunandan, Resmi; Maulik, P. R.; Ji Ram, Vishnu Naphtho[2,1-h]isoquinolines: a new class of partially reduced polycyclic aromatic nucleus RSC Advances, 2012, 2, 1299 |
7238565 | CIF | C42 H42 N30 O2 Zn3 | P 21 21 21 | 11.807; 18.175; 23.693 90; 90; 90 | 5084.3 | Li, Yun-Wu; Tao, Ying; Wang, Li-Fu; Hu, Tong-Liang; Bu, Xian-He New chiral coordination polymers constructed from well elaborated achiral and chiral ligands RSC Advances, 2012, 2, 4348 |
7238564 | CIF | C16 H12 Cl2 Hg N12 O2 | P 43 21 2 | 17.103; 17.103; 7.1526 90; 90; 90 | 2092.2 | Li, Yun-Wu; Tao, Ying; Wang, Li-Fu; Hu, Tong-Liang; Bu, Xian-He New chiral coordination polymers constructed from well elaborated achiral and chiral ligands RSC Advances, 2012, 2, 4348 |
7238563 | CIF | C9 H9 N3 O2 | P -1 | 8.2269; 10.1265; 11.1995 84.312; 86.837; 76.573 | 902.56 | Guin, Srimanta; Rout, Saroj Kumar; Ghosh, Tuhin; Khatun, Nilufa; Patel, Bhisma K. A one pot synthesis of [1,3,4]-oxadiazoles mediated by molecular iodine RSC Advances, 2012, 2, 3180 |
7238562 | CIF | C15 H12 I N O Se | P 1 21/c 1 | 12.7577; 10.0993; 11.6512 90; 94.4; 90 | 1496.76 | Sengoden, Mani; Punniyamurthy, Tharmalingam Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O RSC Advances, 2012, 2, 2736 |
7238561 | CIF | C15 H13 N O2 | P 1 21/n 1 | 10.4808; 8.9744; 13.08 90; 91.143; 90 | 1230.05 | Sengoden, Mani; Punniyamurthy, Tharmalingam Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O RSC Advances, 2012, 2, 2736 |
7238560 | CIF | C13 H15 N O Se | P 1 21/c 1 | 6.7304; 7.6804; 23.0785 90; 92.209; 90 | 1192.09 | Sengoden, Mani; Punniyamurthy, Tharmalingam Role of temperature in [3+2]-cycloaddition of isoselenocyanates with oxiranes using BF3·Et2O RSC Advances, 2012, 2, 2736 |
7238559 | CIF | C16 H18 Fe O Si | P n a 21 | 25.389; 10.1455; 5.8173 90; 90; 90 | 1498.44 | Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones RSC Advances, 2012, 2, 3512 |
7238558 | CIF | C14 H12 Fe O | P 1 21/n 1 | 5.8159; 18.8274; 10.1737 90; 92.45; 90 | 1112.98 | Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones RSC Advances, 2012, 2, 3512 |
7238557 | CIF | C13 H10 Fe O | P 21 21 21 | 8.9366; 9.5424; 12.1196 90; 90; 90 | 1033.52 | Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones RSC Advances, 2012, 2, 3512 |
7238556 | CIF | C19 H14 Fe O | P n a 21 | 21.5703; 5.9474; 10.9774 90; 90; 90 | 1408.26 | Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones RSC Advances, 2012, 2, 3512 |
7238555 | CIF | C52 H40 N10 | P b c a | 14.853; 22.747; 25.64 90; 90; 90 | 8663 | Takase, Masayoshi; Yoshida, Naofumi; Narita, Tomoyuki; Fujio, Takashi; Nishinaga, Tohru; Iyoda, Masahiko Sterically congested pyrrole-fused tetrathiafulvalene decamers as highly conductive amorphous molecular materials RSC Advances, 2012, 2, 3221 |
7238554 | CIF | C39 H29 N5 O | C 1 c 1 | 9.7301; 54.938; 5.4824 90; 92.879; 90 | 2926.9 | Bhaumik, Chanchal; Maity, Dinesh; Das, Shyamal; Baitalik, Sujoy Synthesis, structural characterization, solvatochromism, and ion-binding studies of a ditopic receptor based on 2-(4-[2,2′: 6′,2′′]terpyridin-4′-yl-phenyl)-1H-phenanthro[9,10-d] imidazole (tpy-HImzphen) unit RSC Advances, 2012, 2, 2581 |
7238553 | CIF | C8 H16 I3 N4 S2 | P 21 21 2 | 12.2118; 25.3633; 5.6918 90; 90; 90 | 1762.93 | Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K. Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine RSC Advances, 2012, 2, 2856 |
7238552 | CIF | C16 H32 Cl I9 N8 S4 | P 1 21/c 1 | 14.502; 12.31; 12.354 90; 111.59; 90 | 2050.7 | Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K. Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine RSC Advances, 2012, 2, 2856 |
7238551 | CIF | C96 H192 Cl6 I38 N48 S24 | P n n m | 20.982; 42.307; 12.4442 90; 90; 90 | 11046.5 | Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K. Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine RSC Advances, 2012, 2, 2856 |
7238550 | CIF | C4 H5 I2 N2 S | P 1 21/n 1 | 8.2469; 11.3129; 10.3137 90; 106.79; 90 | 921.21 | Owczarzak, Anita M.; Kubicki, Maciej; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K. Stabilization of poly-iodides: structural influences of the cationic disulfides of 2-mercapto-3,4,5,6-tetrahydro-pyrimidine and 2-mercatpo-pyrimidine RSC Advances, 2012, 2, 2856 |
7238549 | CIF | C48 H35 F6 Ir N6 O0.5 P | P b c a | 10.7181; 17.865; 41.906 90; 90; 90 | 8024.1 | Tordera, Daniel; Pertegás, Antonio; Shavaleev, Nail M.; Scopelliti, Rosario; Ortí, Enrique; Bolink, Henk J.; Baranoff, Etienne; Grätzel, Michael; Nazeeruddin, Mohammad K. Efficient orange light-emitting electrochemical cells Journal of Materials Chemistry, 2012, 22, 19264 |
7238548 | CIF | C60 H68 Mg N4 O2 Si2 | P -1 | 10.7018; 16.4164; 16.4397 102.654; 98.991; 95.304 | 2759.28 | Hatano, Junichi; Obata, Naoki; Yamaguchi, Shigeru; Yasuda, Takeshi; Matsuo, Yutaka Soluble porphyrin donors for small molecule bulk heterojunction solar cells Journal of Materials Chemistry, 2012, 22, 19258 |
7238547 | CIF | C66 H74 Mg N6 O6 Si2 | P 1 21/n 1 | 15.3573; 7.4862; 27.068 90; 103.435; 90 | 3026.79 | Hatano, Junichi; Obata, Naoki; Yamaguchi, Shigeru; Yasuda, Takeshi; Matsuo, Yutaka Soluble porphyrin donors for small molecule bulk heterojunction solar cells Journal of Materials Chemistry, 2012, 22, 19258 |
7238546 | CIF | C26 H18 N4 Ni | C m c 21 | 20.428; 12.905; 6.973 90; 90; 90 | 1838.2 | Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors Journal of Materials Chemistry, 2012, 22, 17967 |
7238545 | CIF | C18 H14 Cu N4 | P 1 21/c 1 | 19.416; 5.1511; 14.878 90; 112.394; 90 | 1375.8 | Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors Journal of Materials Chemistry, 2012, 22, 17967 |
7238544 | CIF | C43 H36 Cl2 Co2 N8 | P -1 | 9.385; 13.304; 15.3654 74.895; 81.155; 75.541 | 1785.5 | Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors Journal of Materials Chemistry, 2012, 22, 17967 |
7238543 | CIF | C18 H14 Co N4 | P n a 21 | 14.707; 5.1858; 17.973 90; 90; 90 | 1370.8 | Whyte, Alexander M.; Shuku, Yoshiaki; Nichol, Gary S.; Matsushita, Michio M.; Awaga, Kunio; Robertson, Neil Planar Ni(ii), Cu(ii) and Co(ii) tetraaza[14]annulenes: structural, electronic and magnetic properties and application to field effect transistors Journal of Materials Chemistry, 2012, 22, 17967 |
7238542 | CIF | C22 H35 Cl2 N15 O4 Zn2 | R -3 c :H | 28.993; 28.993; 21.958 90; 90; 120 | 15985 | Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites Journal of Materials Chemistry, 2012, 22, 17947 |
7238541 | CIF | C131 H204 N90 O23 Zn7 | R -3 :H | 29.667; 29.667; 22.161 90; 90; 120 | 16891 | Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites Journal of Materials Chemistry, 2012, 22, 17947 |
7238540 | CIF | C17 H24 N14 O2 Zn | P 42/m n m | 15.605; 15.605; 13.601 90; 90; 90 | 3312.1 | Yang, Guang-Sheng; Li, Mei-Na; Li, Shun-Li; Lan, Ya-Qian; He, Wen-Wen; Wang, Xin-Long; Qin, Jun-Sheng; Su, Zhong-Min Controllable synthesis of microporous, nanotubular and mesocage-like metal‒organic frameworks by adjusting the reactant ratio and modulated luminescence properties of Alq3@MOF composites Journal of Materials Chemistry, 2012, 22, 17947 |
7238539 | CIF | C27 H24 Br3 N | P 21 21 21 | 7.5089; 14.414; 21.5562 90; 90; 90 | 2333.1 | Fang, Zhen; Chellappan, Vijila; Webster, Richard D.; Ke, Lin; Zhang, Tianfu; Liu, Bin; Lai, Yee-Hing Bridged-triarylamine starburst oligomers as hole transporting materials for electroluminescent devices Journal of Materials Chemistry, 2012, 22, 15397 |
7238538 | CIF | C17 H15 B F2 O4 | C 1 2/c 1 | 21.1856; 7.1155; 10.3692 90; 96.363; 90 | 1553.49 | Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing A mechanistic investigation of mechanochromic luminescent organoboron materials Journal of Materials Chemistry, 2012, 22, 17332 |
7238537 | CIF | C19 H17 B F2 O4 | P 1 c 1 | 10.6842; 7.2837; 12.8423 90; 120.355; 90 | 862.39 | Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing A mechanistic investigation of mechanochromic luminescent organoboron materials Journal of Materials Chemistry, 2012, 22, 17332 |
7238536 | CIF | C21 H19 B F2 O4 | C 1 2/c 1 | 26.2572; 7.2012; 10.3231 90; 98.87; 90 | 1928.58 | Sun, Xingxing; Zhang, Xuepeng; Li, Xinyang; Liu, Shiyong; Zhang, Guoqing A mechanistic investigation of mechanochromic luminescent organoboron materials Journal of Materials Chemistry, 2012, 22, 17332 |
7238535 | CIF | C7 F N O7 P2 Zr | P 1 21/c 1 | 14.4786; 8.89; 10.882 90; 93.86; 90 | 1397.5 | Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films Journal of Materials Chemistry, 2012, 22, 5098 |
7238534 | CIF | C6 F N O7 P2 Zr | P 1 21/c 1 | 13.453; 8.915; 10.863 90; 106.51; 90 | 1249.1 | Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films Journal of Materials Chemistry, 2012, 22, 5098 |
7238533 | CIF | C5 F N O7 P2 Zr | P 1 21/c 1 | 12.3979; 8.9255; 10.8594 90; 97.544; 90 | 1191.27 | Donnadio, Anna; Pica, Monica; Taddei, Marco; Vivani, Riccardo Design and synthesis of plasticizing fillers based on zirconium phosphonates for glycerol-free composite starch films Journal of Materials Chemistry, 2012, 22, 5098 |
7238532 | CIF | C13 H9 | P 1 21/c 1 | 12.5169; 6.1861; 12.2167 90; 110.239; 90 | 887.5 | Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene CrystEngComm, 2012, 14, 8286 |
7238531 | CIF | C26 H18 | P 21 21 21 | 5.5771; 12.0652; 25.9356 90; 90; 90 | 1745.18 | Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene CrystEngComm, 2012, 14, 8286 |
7238530 | CIF | C39 H27 | P -1 | 6.6211; 12.0765; 17.3375 105.37; 90.852; 91.274 | 1336.08 | Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene CrystEngComm, 2012, 14, 8286 |
7238529 | CIF | C15 H19 N7 O5 | P 1 21/n 1 | 7.3666; 6.4615; 36.9629 90; 94.462; 90 | 1754.08 | Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes CrystEngComm, 2012, 14, 7065 |
7238528 | CIF | C16 H20 N6 O6 | P b c n | 14.9164; 12.3456; 19.9754 90; 90; 90 | 3678.5 | Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes CrystEngComm, 2012, 14, 7065 |
7238527 | CIF | C11 H15 N5 O10 | P 1 21/c 1 | 5.0257; 24.5327; 13.1664 90; 90.462; 90 | 1623.29 | Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes CrystEngComm, 2012, 14, 7065 |
7238526 | CIF | C11 H11 N3 O5 | P 1 21/n 1 | 10.1137; 8.512; 13.9992 90; 110.61; 90 | 1128.03 | Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan Competition between the two-point and three-point synthon in cytosine‒carboxylic acid complexes CrystEngComm, 2012, 14, 7065 |
7238525 | CIF | C10 H20 O | P -1 | 11.9521; 12.4769; 12.7864 117.498; 99.008; 103.867 | 1561 | Corvis, Yohann; Négrier, Philippe; Massip, Stéphane; Leger, Jean-Michel; Espeau, Philippe Insights into the crystal structure, polymorphism and thermal behavior of menthol optical isomers and racemates CrystEngComm, 2012, 14, 7055 |
7238524 | CIF | C24 H18 N8 O8 Zn2 | C 1 2/c 1 | 25.5723; 10.2646; 20.2916 90; 112.618; 90 | 4916.7 | Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands CrystEngComm, 2012, 14, 6934 |
7238523 | CIF | C23 H20 N8 O6 Zn | P 1 21/n 1 | 9.8552; 23.1468; 10.2245 90; 98.033; 90 | 2309.49 | Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands CrystEngComm, 2012, 14, 6934 |
7238522 | CIF | C23 H18 N8 O5 Zn | P -1 | 9.7186; 11.4928; 11.6881 63.618; 80.197; 81.893 | 1149.28 | Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands CrystEngComm, 2012, 14, 6934 |
7238521 | CIF | C20 H17 N8 O6 Zn | P 1 21/c 1 | 11.8534; 15.0975; 12.565 90; 111.268; 90 | 2095.45 | Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands CrystEngComm, 2012, 14, 6934 |
7238520 | CIF | C24 H17 N8 O7.5 Zn2 | C 1 2/c 1 | 25.9785; 10.1939; 19.4052 90; 101.07; 90 | 5043.3 | Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands CrystEngComm, 2012, 14, 6934 |
7238519 | CIF | C23 H18 N8 O5 Zn | P -1 | 10.817; 11.0298; 11.3773 114.656; 104.715; 95.911 | 1159 | Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands CrystEngComm, 2012, 14, 6934 |
7238518 | CIF | C23 H16 N8 O4 Zn | C 1 2/c 1 | 22.1231; 12.5698; 18.1222 90; 109.511; 90 | 4750.1 | Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands CrystEngComm, 2012, 14, 6934 |
7238517 | CIF | C23 H18 N8 O5 Zn | P -1 | 8.9771; 11.0283; 12.0901 74.718; 85; 81.608 | 1140.77 | Kan, Wei-Qiu; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang Effect of organic anions on the self-assembly of Zn(ii)-containing coordination polymers based on trigonal N-donor ligands CrystEngComm, 2012, 14, 6934 |
7238516 | CIF | C24 H90 Co2 N16 O49 Sb4 V16 | C 1 2/c 1 | 30.601; 13.901; 23.093 90; 128.1; 90 | 7730 | Antonova, Elena; Näther, Christian; Bensch, Wolfgang Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell CrystEngComm, 2012, 14, 6853 |
7238515 | CIF | C62 H214 Co6 N42 O97 Sb12 V30 | P 1 21/n 1 | 27.8795; 22.9567; 32.2932 90; 113.717; 90 | 18922.8 | Antonova, Elena; Näther, Christian; Bensch, Wolfgang Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell CrystEngComm, 2012, 14, 6853 |
7238514 | CIF | C18 H58 Co3 N12 O47 Sb6 V15 | R 3 :H | 12.3811; 12.3811; 41.398 90; 90; 120 | 5495.8 | Antonova, Elena; Näther, Christian; Bensch, Wolfgang Assembly of [V15Sb6O42(H2O)]6− cluster shells into higher dimensional aggregates via weak Sb⋯N/Sb⋯O intercluster interactions and a new polyoxovanadate with a discrete [V16Sb4O42(H2O)]8− cluster shell CrystEngComm, 2012, 14, 6853 |
7238513 | CIF | C44 H36 N8 O8 S8 | P -1 | 7.2485; 10.373; 16.028 89.459; 77.009; 79.014 | 1152.1 | Murata, Tsuyoshi; Umemoto, Yoshikazu; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi Modulation of charge-transfer complexes assisted by complementary hydrogen bonds of nucleobases: TCNQ complexes of a uracil-substituted EDO-TTF CrystEngComm, 2012, 14, 6881 |
7238512 | CIF | C16 H16 N2 O4 S4 | P 1 21/c 1 | 11.06; 16.45; 10.99 90; 111.4; 90 | 1862 | Murata, Tsuyoshi; Umemoto, Yoshikazu; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi Modulation of charge-transfer complexes assisted by complementary hydrogen bonds of nucleobases: TCNQ complexes of a uracil-substituted EDO-TTF CrystEngComm, 2012, 14, 6881 |
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