Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
9017189 | CIF | Al4.842 B1.598 Ca1.898 Mg2.733 Na0.102 O20 Si2.827 | P -1 | 10.022; 10.406; 8.643 106.41; 95.992; 124.38 | 672.788 | Grice, J. D.; Belley, P. M.; Fayek, M. Serendibite, a complex chemical borosilicate mineral from Pontiac, Quebec: Description, chemical composition, and crystallographic data The Canadian Mineralogist, 2014, 52, 1-14 |
9017190 | CIF | B Fe0.1 H2 Mn1.9 Na O11 Si3 | P -1 | 6.837; 7.575; 8.841 99.91; 102.19; 102.78 | 424.812 | Haring, M. M. M.; McDonald, A. M. Steedeite, NaMn2[Si3BO9](OH)2: characterization, crystal-structure determination, and origin The Canadian Mineralogist, 2014, 52, 47-60 |
9017191 | CIF | F Fe0.036 Mn1.964 O4 P | I 1 2/a 1 | 12.109; 6.5162; 10.117 90; 106.16; 90 | 766.737 | Vignola, P.; Gatta, G. D.; Hatert, F.; Guastoni, A.; Bersani, D. On the crystal-chemistry of a near-endmember triplite, Mn2+2(PO4)F, from the Codera Valley (Sondrio Province, Central Alps, Italy) The Canadian Mineralogist, 2014, 52, 235-245 |
9017192 | CIF | Al5.688 B3 Ca0.424 Fe2.517 H7 Mg0.795 Na0.576 O31 Si6 | R 3 m :H | 16.0047; 16.0047; 7.212 90; 90; 120 | 1599.86 | Gadas, P.; Novak, M.; Cempirek, J.; Filip, J.; Galiova, M. V.; Groat, L. A.; Vsiansky, D. Mineral assemblages, compositional variation, and crystal structure of feruvitic tourmaline from a contaminated anatectic pegmatite at Mirosov near Strazek, Moldanubian zone, Czech Republic Note: site occupancies from typical X-ray diffraction analysis The Canadian Mineralogist, 2014, 52, 285-301 |
9017193 | CIF | Al5.592 B3 Ca0.494 F0.06 Fe2.472 H4.648 Mg0.939 Mn0.03 Na0.451 O30.94 Si5.88 Ti0.084 Zn0.006 | R 3 m :H | 16.0047; 16.0047; 7.212 90; 90; 120 | 1599.86 | Gadas, P.; Novak, M.; Cempirek, J.; Filip, J.; Galiova, M. V.; Groat, L. A.; Vsiansky, D. Mineral assemblages, compositional variation, and crystal structure of feruvitic tourmaline from a contaminated anatectic pegmatite at Mirosov near Strazek, Moldanubian zone, Czech Republic Note: site occupancies from electron density approximation The Canadian Mineralogist, 2014, 52, 285-301 |
9017194 | CIF | B2 Ba2 Ca O14 Si4 | I -4 2 m | 10.9515; 10.9515; 10.3038 90; 90; 90 | 1235.79 | Kampf, A. R.; Peterson, R. C.; Joy, B. R. Itsiite, Ba2Ca(BSi2O7)2, a new mineral species from Yukon, Canada: description and crystal structure The Canadian Mineralogist, 2014, 52, 401-407 |
9017195 | CIF | Ag3.5 Cu24.5 Te35 | C 1 2/c 1 | 17.906; 17.927; 21.23 90; 98.081; 90 | 6747.18 | Bindi, L.; Pinch, W. W. Cameronite, Cu5-x(Cu,Ag)3+xTe10 (x = 0.43), from the Good Hope mine, Vulcan, Colorado: Crystal structure and revision of the chemical formula The Canadian Mineralogist, 2014, 52, 423-432 |
9017196 | CIF | Cs0.04 Cu3.99 K2.85 Na O18 Rb0.08 S4 Zn0.02 | P n 21 a | 14.281; 4.9478; 24.1127 90; 90; 90 | 1703.79 | Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Chukanov, N. V.; Lykova, I. S.; Savelyev, D. P.; Sidorov, E. G.; Pushcharovsky, D. Y. Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia The Canadian Mineralogist, 2014, 52, 699-716 |
9017197 | CIF | Cs0.14 Cu7.95 K4.75 Na2.95 O36 Rb0.25 S8 Zn0.04 | P 1 2/c 1 | 13.9043; 4.9765; 23.5855 90; 90.209; 90 | 1631.98 | Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Chukanov, N. V.; Lykova, I. S.; Savelyev, D. P.; Sidorov, E. G.; Pushcharovsky, D. Y. Wulffite, K3NaCu4O2(SO4)4, and parawulffite, K5Na3Cu8O4(SO4)8, two new minerals from fumarole sublimates of the Tolbachik volcano, Kamchatka, Russia The Canadian Mineralogist, 2014, 52, 699-716 |
9017198 | CIF | Al0.01 Ba0.61 Ca0.26 F0.74 Fe0.04 H5.26 K0.13 Mg0.01 Mn0.68 Na2.22 Nb0.76 O19.26 Si4 Sr0.2 Ti2.09 | P -1 | 5.437; 7.141; 21.69 92.97; 96.07; 90.01 | 836.268 | Camara, F.; Sokolova, E.; Abdu, Y. A.; Hawthorne, F. C. Saamite, Ba[]TiNbNa3Ti(Si2O7)2O2(OH)2(H2O)2, a group-III Ti-disilicate mineral from the Khibiny alkaline massif, Kola Peninsula, Russia: description and crystal structure The Canadian Mineralogist, 2014, 52, 745-761 |
9017199 | CIF | Cu0.55 Fe0.13 Ga0.19 In0.08 S Zn0.08 | F -4 3 m | 5.368; 5.368; 5.368 90; 90; 90 | 154.681 | Marquez-Zavalia M F; Galliski, M. A.; Drabek, M.; Vymazalova, A.; Watanabe, Y.; Murakami, H.; Bernhardt, H. J. Ishiharaite, (Cu,Ga,Fe,In,Zn)S, a new mineral from the Capillitas mine, Northwestern Argentina The Canadian Mineralogist, 2015, 52, 969-980 |
9017200 | CIF | Al0.59 Ca0.17 F0.42 Fe4.53 H1.58 K0.27 Mg0.06 Mn0.31 Na2.51 O23.58 Si7.41 Ti0.06 Zn0.01 | C 1 2/m 1 | 9.919; 18.0885; 5.344 90; 103.813; 90 | 931.091 | Lussier, A. J.; Hawthorne, F. C.; Abdu, Y. A.; Ball, N. A.; Tait, K. T.; Back, M. E.; Steede, A. H.; Taylor, R.; McDonald, A. M. Ferro-ferri-nyboite, NaNa2(Fe2+3Fe3+2)Si8O22(OH)2, a new clinoamphibole from Mont Saint-Hilaire, Quebec, Canada: description and crystal structure The Canadian Mineralogist, 2015, 52, 1019-1026 |
9017201 | CIF | Be2 Fe2 H12 Mn O22 P4 | P 31 2 1 | 9.404; 9.404; 15.92 90; 90; 120 | 1219.27 | Cooper, M. A.; Hawthorne, F. C. The crystal structure of faheyite, Mn2+Fe3+2[Be2(PO4)4](H2O)6: a new twist for the [Be(PPhi4)2] chain The Canadian Mineralogist, 2015, 53, 199-208 |
9017202 | CIF | Al0.92 B4 Ca1.582 Fe0.08 H2 Mn0.88 O24 Si4 Y2.752 Yb0.386 | P 1 2/a 1 | 18.609; 4.6307; 10.143 90; 111.475; 90 | 813.371 | Miyawaki, R.; Momma, K.; Yokoyama, K.; Shigeoka, M.; Matsubara, S.; Ito, M.; Nakai, I.; Kristiansen, R. Mn-bearing hellandite-(Y) from the Heftetjern pegmatite, Tordal, Norway The Canadian Mineralogist, 2015, 53, 345-356 |
9017203 | CIF | Al0.164 Ca0.277 Fe2.454 H18 Mg1.545 Mn0.961 Na0.569 O26 P4 | P 1 2/a 1 | 15.1045; 7.1629; 9.8949 90; 110.64; 90 | 1001.84 | Kampf, A. R.; Elliott, P.; Nash, B. P.; Chiappino, L.; Varvello, S. Jahnsite-(NaMnMg), a new jahnsite-group mineral from the Sapucaia mine, Brazil and the White Rock No. 2 quarry, Australia The Canadian Mineralogist, 2018, 56, 871-882 |
9017204 | CIF | Al1.82 Ca0.39 H16 K0.01 Mg2.08 Mn1.66 Na0.03 O26 P4 | P 1 2/a 1 | 15.0357; 6.9408; 9.9431 90; 110.827; 90 | 969.857 | Elliott, P.; Willis, A. C. Whiteite-(MnMnMg), a new jahnsite-group mineral from Iron Monarch, South Australia: Description and crystal structure Note: Not all hydrogens were located The Canadian Mineralogist, 2019, 57, 215-223 |
9017205 | CIF | Ca0.25 Fe4 H18 Mn1.4 Na0.05 O26 P4 | P 1 2/a 1 | 15.1559; 7.1478; 10.0209 90; 112.059; 90 | 1006.11 | Vignola, P.; Hatert, F.; Rotiroti, N.; Nestola, F.; Risplendente, A.; Vanini, F. Jahnsite-(MnMnFe), Mn2+Mn2+Fe22+Fe23+(PO4)4(OH)2*8H2O, a new phosphate mineral from the Malpensata pegmatite, Olgiasca, Colico municipality, Lecco province, Italy The Canadian Mineralogist, 2019, 57, 225-233 |
9017206 | CIF | Al0.36 Ca0.25 Fe1.85 H22 Mg1.26 Mn2.02 Na0.2 O26 P4 | P 1 2/a 1 | 15.177; 7.176; 10.006 90; 111.01; 90 | 1017.31 | Vignola, P.; Hatert, F.; Baijot, M.; Rotiroti, N.; Risplendente, A.; Varvello, S. Jahnsite-(MnMnMg), Mn2+Mn2+Mg2+2Fe3+2(PO4)4(OH)2*8H2O, a new phosphate mineral species from Sapucaia pegmatite, Sapucaia Do Norte, Galileia, Minas Gerais, Brazil The Canadian Mineralogist, 2019, 57, 363-370 |
9017207 | CIF | Ca O4 S | B m m b | 6.992; 6.999; 6.24 90; 90; 90 | 305.367 | Hartman, P. On the unit cell dimensions and bond lengths of anhydrite Note: this is a re-indexed structure of Hawthorne and Ferguson (1975) European Journal of Mineralogy, 1989, 1, 721-722 |
9017208 | CIF | C20 H36 | P 21 21 21 | 12.356; 12.762; 11.427 90; 90; 90 | 1801.89 | Franzini, L.; Pasero, M.; Perchiazzi, N. Re-discovery and re-definition of dinite, C20H36, a forgotten organic mineral from Garfagnana, northern Tuscany, Italy European Journal of Mineralogy, 1991, 3, 855-861 |
9017209 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.035; 6.9294; 12.6705 90; 90.266; 90 | 1056.65 | Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R. The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate European Journal of Mineralogy, 2001, 13, 985-993 |
9017211 | CIF | Al0.824 Ca3 Fe1.176 O8 Ti | P m m a | 5.42; 11.064; 5.5383 90; 90; 90 | 332.115 | Sharygin, V. V.; Lazic, B.; Armbruster, T. M.; Murashko, M. N.; Wirth, R.; Galuskina, I. O.; Galuskin, E. V.; Vapnik, Y.; Britvin, S. N.; Logvinova, A. M. Shulamitite Ca3TiFe3+AlO8 - a new perovskite-related mineral from Hatrurim Basin, Israel European Journal of Mineralogy, 2013, 25, 97-111 |
9017212 | CIF | Ba O24 Si7 Yb6 | P 1 21/m 1 | 5.5173; 27.26; 6.815 90; 106.73; 90 | 981.601 | Wierzbicka-Wieczorek M; Kolitsch, U. BaYb6(Si2O7)2(Si3O10) - the first silicate containing both Si2O7 and Si3O10 groups: synthesis, crystal chemistry and topology European Journal of Mineralogy, 2013, 25, 509-517 |
9017213 | CIF | Al Cs0.02 K0.83 Na0.15 O8 Si3 | C 1 2/m 1 | 8.5497; 13.0216; 7.1843 90; 115.988; 90 | 718.959 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample H002 European Journal of Mineralogy, 2013, 25, 597-614 |
9017214 | CIF | Al K0.93 Na0.07 O8 Si3 | C 1 2/m 1 | 8.5739; 12.9874; 7.2018 90; 116.042; 90 | 720.521 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample H003 European Journal of Mineralogy, 2013, 25, 597-614 |
9017215 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.5739; 12.9874; 7.2018 90; 116.042; 90 | 720.521 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Gemini RT Data, Sample H003 European Journal of Mineralogy, 2013, 25, 597-614 |
9017216 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.575; 12.984; 7.2008 90; 116.028; 90 | 720.41 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 293 K, Sample H003_RTend European Journal of Mineralogy, 2013, 25, 597-614 |
9017217 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.5752; 12.986; 7.2013 90; 116.023; 90 | 720.619 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 293 K, Sample H003_RT European Journal of Mineralogy, 2013, 25, 597-614 |
9017218 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.6159; 12.9806; 7.1991 90; 115.956; 90 | 723.93 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 600 K, Sample H003 European Journal of Mineralogy, 2013, 25, 597-614 |
9017219 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.6609; 12.977; 7.2003 90; 115.876; 90 | 728.124 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 900 K, Sample H003 European Journal of Mineralogy, 2013, 25, 597-614 |
9017220 | CIF | Al K0.92 Na0.08 O8 Si3 | C 1 2/m 1 | 8.6849; 12.9747; 7.203 90; 115.819; 90 | 730.638 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 1075 K, Sample H003 European Journal of Mineralogy, 2013, 25, 597-614 |
9017221 | CIF | Al1.04 Ba0.02 K0.4 Na0.58 O8 Si2.96 | C 1 2/m 1 | 8.3463; 12.9877; 7.1683 90; 116.18; 90 | 697.324 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample San40, cation-exchanged sanidine European Journal of Mineralogy, 2013, 25, 597-614 |
9017222 | CIF | Al Ba0.02 K0.98 O8 Si3 | C 1 2/m 1 | 8.6032; 13.0237; 7.1885 90; 115.994; 90 | 723.961 | Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C. Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample San100 European Journal of Mineralogy, 2013, 25, 597-614 |
9017223 | CIF | Al3.1 Ca2.5 Cl1.9 F2.1 Fe0.3 K6.5 Mg0.1 Na1.6 O29 Si9.6 | P m m n :2 | 7.0618; 38.42; 6.5734 90; 90; 90 | 1783.46 | Sharygin, V. V.; Pekov, I. V.; Zubkova, N. V.; Khomyakov, A. P.; Stoppa, F.; Pushcharovsky, D. Y. Umbrianite, K7Na2Ca2[Al3Si10O29]F2Cl2, a new mineral species from melilitolite of the Pian di Celle volcano, Umbria, Italy European Journal of Mineralogy, 2013, 25, 655-669 |
9017224 | CIF | Al0.38 As3 Ca0.73 Cu0.4 Fe0.9 K0.3 Mn0.13 Na1.69 O12 Zn0.32 | C 1 2/c 1 | 12.64; 13.007; 6.7 90; 113.828; 90 | 1007.64 | Krivovichev, S. V.; Vergasova, L. P.; Filatov, S. K.; rybin D S; Britvin, S. N.; Ananiev, V. V. Hatertite, Na2(Ca,Na)(Fe3+,Cu)2(AsO4)3, a new alluaudite-group mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia European Journal of Mineralogy, 2013, 25, 683-691 |
9017225 | CIF | As Cu5 H8 O15 | P m n 21 | 3.0113; 14.259; 14.932 90; 90; 90 | 641.152 | Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G. The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods European Journal of Mineralogy, 2013, 25, 693-704 |
9017226 | CIF | As0.5 Cu2.5 H2.15 O6.575 | P m n 21 | 3.0088; 14.212; 14.89 90; 90; 90 | 636.712 | Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G. The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods European Journal of Mineralogy, 2013, 25, 693-704 |
9017227 | CIF | As Cu4.5 O15.25 S0.5 | P 1 1 21 | 6.02; 13.99; 15.42 90; 90; 90.01 | 1298.67 | Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G. The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods Note: theoretical data European Journal of Mineralogy, 2013, 25, 693-704 |
9017228 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.2958; 7.2958; 15.396 90; 90; 90 | 819.509 | Knight, K. S.; Marshall, W. G.; Henderson, C. M. B.; Chamberlain, A. A. Equation of state and a high-pressure structural phase transition in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Note: P = 4.13 GPa European Journal of Mineralogy, 2013, 25, 909-917 |
9017229 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4 21 2 (a-1/4,b+1/4,c) | 7.2623; 7.2623; 15.252 90; 90; 90 | 804.406 | Knight, K. S.; Marshall, W. G.; Henderson, C. M. B.; Chamberlain, A. A. Equation of state and a high-pressure structural phase transition in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Note: P = 4.77 GPa European Journal of Mineralogy, 2013, 25, 909-917 |
9017230 | CIF | Pb5.38 S15.5 Sb6.62 | P -1 | 4.1192; 17.4167; 19.1664 96.127; 90.015; 91.229 | 1366.88 | Orlandi, P.; Biagioni, C.; Moelo, Y.; Bonaccorsi, E. Lead-antimony sulfosalts from Tuscany (Italy). XIV. Disulfodadsonite, Pb11Sb13S30(S2)0.5, a new mineral from the Ceragiola marble quarry, Apuan Alps: occurrence and crystal structure European Journal of Mineralogy, 2013, 25, 1005-1016 |
9017231 | CIF | Al0.16 Ca0.6 Ce0.3 Fe0.68 La0.1 Mn1.18 Nb1.54 Nd0.1 O14 Th0.28 Ti1.3 Y0.2 Zr1.56 | C 1 2/c 1 | 7.3119; 14.179; 10.17 90; 90.072; 90 | 1054.38 | Chukanov, N. V.; Krivovichev, S. V.; Pakhomova, A. S.; Pekov, I. V.; Schafer, C.; Vigasina, M. F.; Van, K. V. Laachite, (Ca,Mn)2Zr2Nb2TiFeO14, a new zirconolite-related mineral from the Eifel volcanic region, Germany European Journal of Mineralogy, 2011, 26, 103-111 |
9017232 | CIF | Ba0.507 Fe0.508 Mn3.492 O8 | P 1 2/n 1 | 10.0001; 5.7465; 9.8076 90; 90.713; 90 | 563.556 | Biagioni, C.; Capalbo, C.; Lezzerini, M.; Pasero, M. Ferrihollandite, BaMn4+6Fe3+2O16, from Apuan Alps, Tuscany, Italy: description and crystal structure European Journal of Mineralogy, 2014, 26, 171-178 |
9017233 | CIF | C H2 Fe2 O5 | P 1 21/a 1 | 12.5; 9.5; 3.2 90; 97.6; 90 | 376.662 | Pignatelli, I.; Mugnaioli, E.; Mosser-Ruck R; Barres, O.; Kolb, U.; Michau, N. A multi-technique, micrometer- to atomic-scale description of a synthetic analogue of chukanovite, Fe2(CO3)(OH)2 European Journal of Mineralogy, 2014, 26, 221-229 |
9017234 | CIF | Al5.7 B3 Ca0.06 Cr0.72 Fe0.18 H3.96 Mg2.52 Na0.64 O31 Si5.88 | R 3 m :H | 15.926; 15.926; 7.21 90; 90; 120 | 1583.72 | Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A. Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 1 European Journal of Mineralogy, 2014, 26, 309-321 |
9017235 | CIF | Al5.91 B3 Ca0.02 Cr0.72 Fe0.09 H3.68 K0.01 Mg2.34 Na0.76 O31 Si5.94 | R 3 m :H | 15.933; 15.933; 7.213 90; 90; 120 | 1585.78 | Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A. Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 2 European Journal of Mineralogy, 2014, 26, 309-321 |
9017236 | CIF | Al5.85 B3 Ca0.13 Cr0.81 Fe0.09 H3.4 Mg2.25 Na0.63 O31 Si6 | R 3 m :H | 15.933; 15.933; 7.213 90; 90; 120 | 1585.78 | Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A. Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 3 European Journal of Mineralogy, 2014, 26, 309-321 |
9017237 | CIF | Al6.15 B3 Ca0.41 Cr0.18 H3.56 Mg2.79 Na0.43 O31 Si5.88 | R 3 m :H | 15.921; 15.921; 7.194 90; 90; 120 | 1579.22 | Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A. Ion substitutions and structural adjustment in Cr-bearing tourmalines Note: Sample 4 European Journal of Mineralogy, 2014, 26, 309-321 |
9017238 | CIF | Al0.036 Ca0.026 Ce0.101 Cr1.62 Fe5.42 La0.176 Mn0.072 Na0.03 Nb0.018 O38 Pb0.105 Sn0.018 Sr0.533 Ti12.42 U0.407 V0.18 Y0.205 | R -3 :H | 10.3719; 10.3719; 20.8752 90; 90; 120 | 1944.81 | Biagioni, C.; Orlandi, P.; Pasero, M.; Nestola, F.; Bindi, L. Mapiquiroite, (Sr,Pb)(U,Y)Fe2(Ti,Fe3+)18O38, a new member of the crichtonite group from the Apuan Alps, Tuscany, Italy European Journal of Mineralogy, 2014, 26, 427-437 |
9017239 | CIF | Al0.036 Ca0.014 Ce0.021 Cr0.018 Fe6.682 La0.009 Mn0.005 Na0.019 Nb0.036 O38 Pb0.248 Sn18 Sr0.312 Ti12.078 U0.858 V0.378 Y0.07 Zn0.304 | R -3 :H | 10.3854; 10.3854; 20.8942 90; 90; 120 | 1951.65 | Biagioni, C.; Orlandi, P.; Pasero, M.; Nestola, F.; Bindi, L. Mapiquiroite, (Sr,Pb)(U,Y)Fe2(Ti,Fe3+)18O38, a new member of the crichtonite group from the Apuan Alps, Tuscany, Italy European Journal of Mineralogy, 2014, 26, 427-437 |
9017240 | CIF | Cl6 Cu7 O8 Se2 | P 1 21/c 1 | 10.958; 14.483; 10.494 90; 113.61; 90 | 1526.04 | Vergasova, L. P.; Semenova, T. F.; Krivovichev, S. V.; Filatov, S. K.; Zolotarev, A. A.; Ananiev, V. V. Nicksobolevite, Cu7(SeO3)2O2Cl6, a new complex copper oxoselenite chloride from Tolbachik fumaroles, Kamchatka peninsula, Russia European Journal of Mineralogy, 2014, 26, 439-449 |
9017241 | CIF | H28 Mn4 Nb6 O33 | C 1 2/m 1 | 15.3444; 9.4158; 11.2858 90; 118.632; 90 | 1431.18 | Friis, H.; Larsen, A. O.; Kampf, A. R.; Evans, R. J.; Selbekk; Sanchez, A. A.; Kihle, J. Peterandresenite, Mn4Nb6O19*14H2O, a new mineral containing the Lindqvist ion from a syenite pegmatite of the Larvik Plutonic Complex, southern Norway European Journal of Mineralogy, 2014, 26, 567-576 |
9017242 | CIF | As9 Fe9.508 H120 O104 Sb3 | P 63/m | 16.0916; 16.0916; 21.7127 90; 90; 120 | 4869.04 | Pekov, I. V.; Zubkova, N. V.; Gottlicher, J.; Yapaskurt, V. O.; Chukanov, N. V.; Lykova, I. S.; Belakovskiy, D. I.; Jensen, M. C.; Leising, J. F.; Nikischer, A. J.; Pushcharovsky, D. Y. Whitecapsite, a new hydrous iron and trivalent antimony arsenate mineral from the White Caps mine, Nevada, USA Note: Not all H atoms could be located European Journal of Mineralogy, 2014, 26, 577-587 |
9017243 | CIF | Al0.3 Ca0.35 Fe1.45 Mg1.15 Na0.15 O12 P0.09 Ti0.15 V2.91 | P -1 | 8.1758; 9.8292; 6.694 105.041; 102.04; 106.025 | 476.024 | Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Kartashov, P. M.; Polekhovsky, Y. S.; Murashko, M. N.; Pushcharovsky, D. Y. Koksharovite, CaMg2Fe3+4(VO4)6, and grigorievite, Cu3Fe3+2Al2(VO4)6, two new howardevansite-group minerals from volcanic exhalations European Journal of Mineralogy, 2014, 26, 667-677 |
9017244 | CIF | Al2.2 Ca0.2 Cu1.99 Fe1.6 Mg0.64 O24 P0.06 Ti0.2 V5.94 | P -1 | 8.0217; 9.6858; 6.5475 103.645; 102.369; 106.281 | 452.598 | Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Kartashov, P. M.; Polekhovsky, Y. S.; Murashko, M. N.; Pushcharovsky, D. Y. Koksharovite, CaMg2Fe3+4(VO4)6, and grigorievite, Cu3Fe3+2Al2(VO4)6, two new howardevansite-group minerals from volcanic exhalations European Journal of Mineralogy, 2014, 26, 667-677 |
9017245 | CIF | Bi0.9 Ca0.17 Cu5.81 H3 O18 Pb0.95 Se4 | P 4/n :2 | 9.86; 9.86; 9.7 90; 90; 90 | 943.03 | Mills, S. J.; Kampf, A. R.; Christy, A. G.; Housley, R. M.; Thorne, B.; Chen, Y. S.; Steele, I. M. Favreauite, a new selenite mineral from the El Dragon mine, Bolivia Note: T = 100 K European Journal of Mineralogy, 2014, 26, 771-781 |
9017246 | CIF | Ca0.25 Ce0.18 Dy0.1 Er0.08 Fe0.09 Gd0.07 La0.07 Mn0.61 Na0.1 Nd0.09 O28 Pr0.02 Si12 Sm0.03 Y1.17 Yb0.06 | I b a m | 7.5549; 15.2342; 19.6418 90; 90; 90 | 2260.63 | Kampf, A. R.; Housley, R. M. Chiappinoite-(Y), Y2Mn(Si3O7)4, a new layer silicate found in peralkaline syenitic ejecta from the Agua de Pau volcano, Azores European Journal of Mineralogy, 2015, 27, 91-97 |
9017247 | CIF | Al6.423 Ca6 Cl1.191 Fe0.388 H3.618 O17.809 Si0.189 | I -4 3 d | 12.0285; 12.0285; 12.0285 90; 90; 90 | 1740.34 | Galuskin, E. V.; Galuskina, I. O.; Kusz, J.; Gfeller, F.; Armbruster, T.; Bailau, R.; Dulski, M.; Gazeev, V. M.; Pertsev, N. N.; Zadov, A. E.; Dzierzanowski, P. Mayenite supergroup, part II: Chlorkyuygenite from Upper Chegem, Northern Caucasus, Kabardino-Balkaria, Russia, a new microporous mineral with "zeolitic" H2O European Journal of Mineralogy, 2015, 27, 113-122 |
9017248 | CIF | Al6.664 Ca6 F0.947 Fe0.224 H3.958 O18.053 Si0.112 | I -4 3 d | 11.966; 11.966; 11.966 90; 90; 90 | 1713.35 | Galuskin, E. V.; Gfeller, F.; Armbruster, T.; Galuskina, I. O.; Vapnik, Y.; Dulski, M.; Murashko, M.; Dzierzanowski, P.; Sharygin, V. V.; Krivovichev, S. V.; Wirth, R. Mayenite supergroup, part III: fluormayenite, Ca12Al14O32[[]4F2], and fluorkyuygenite, Ca12Al14O32[(H2O)4F2], two new minerals from pyrometamorphic rocks of the Hatrurim Complex, South Levant European Journal of Mineralogy, 2015, 27, 123-136 |
9017249 | CIF | Al6.838 Ca5.981 F1.053 Fe0.135 H1.053 Mg0.02 Na0.019 O16.593 | I -4 3 d | 11.9894; 11.9894; 11.9894 90; 90; 90 | 1723.43 | Galuskin, E. V.; Gfeller, F.; Armbruster, T.; Galuskina, I. O.; Vapnik, Y.; Dulski, M.; Murashko, M.; Dzierzanowski, P.; Sharygin, V. V.; Krivovichev, S. V.; Wirth, R. Mayenite supergroup, part III: fluormayenite, Ca12Al14O32[[]4F2], and fluorkyuygenite, Ca12Al14O32[(H2O)4F2], two new minerals from pyrometamorphic rocks of the Hatrurim Complex, South Levant European Journal of Mineralogy, 2015, 27, 123-136 |
9017250 | CIF | Cl6.951 Cu0.14 K2.949 Mg0.09 Rb0.03 Zn1.84 | P -1 | 6.7737; 10.5715; 11.073 117.93; 106.909; 90.389 | 660.609 | Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Lykova, I. S.; Belakovskiy, D. I.; Vigasina, M. F.; Sidorov, E. G.; Britvin, S. N.; Pushcharovsky, D. Y. New zinc and potassium chlorides from fumaroles of the Tolbachik volcano, Kamchatka, Russia: mineral data and crystal chemistry. I. Mellizinkalite, K3Zn2Cl7 European Journal of Mineralogy, 2015, 27, 247-253 |
9017251 | CIF | Al2 Ca0.03 H14 Mn0.97 O16 P2 | P -1 | 10.049; 10.205; 6.083 91.79; 99.7; 98.02 | 607.921 | Mills, S. J.; Grey, I. E.; Kampf, A. R.; Birch, W. D.; Macrae, C. M.; Smith, J. B.; Keck, E. Kayrobertsonite, MnAl2(PO4)2(OH)2*6H2O, a new phosphate mineral related to nordgauite Note: T = 100 K European Journal of Mineralogy, 2016, 28, 649-654 |
9017252 | CIF | Al1.76 Fe2.24 H44 Mg Mn4 O56 P8 Zn4 | I 1 2/m 1 | 25.333; 6.299; 15.161 90; 90.03; 90 | 2419.28 | Mills, S. J.; Grey, I. E.; Kampf, A. R.; Macrae, C. M.; Smith, J. B.; Davidson, C. J.; Glenn, A. M. Ferraioloite, MgMn2+4(Fe2+0.5Al3+0.5)4Zn4(PO4)8(OH)4(H2O)20, a new secondary phosphate mineral from the Foote mine, USA European Journal of Mineralogy, 2016, 28, 655-661 |
9017253 | CIF | Fe H11 O10 S | R -3 :H | 24.199; 24.199; 7.6476 90; 90; 120 | 3878.38 | Ventruti, G.; Ventura, G. D.; Bellatreccia, F.; Lacalamita, M.; Schingaro, E. Hydrogen bond system and vibrational spectroscopy of the iron sulfate fibroferrite, Fe(OH)SO4*5H2O European Journal of Mineralogy, 2016, 28, 943-952 |
9017254 | CIF | Al0.01 Ca0.7 Fe3.23 H18 Mg1.33 Mn0.59 Na0.17 O26 P4 | P 1 2/a 1 | 14.975; 7.1645; 9.928 90; 110.65; 90 | 996.725 | Elliott, P. Jahnsite-(CaFeMg), a new mineral from Tom's quarry, South Australia: description and crystal structure European Journal of Mineralogy, 2016, 28, 991-996 |
9017255 | CIF | Fe2.44 H18 Mg0.06 Mn1.2 O23 P3 Zn1.166 | P m a b | 11.044; 25.431; 6.412 90; 90; 90 | 1800.87 | Grey, I. E.; Kampf, A. R.; Keck, E.; MacRae, C. M.; Cashion, J. D.; Gozukara, Y. Crystal chemistry of schoonerite-group minerals Note: sample ICG-14, T = 100 K European Journal of Mineralogy, 2018, 30, 621-634 |
9017256 | CIF | As2.86 Ca0.708 Fe3 Mn0.652 O19.928 P1.684 | I m m a | 26.188; 7.36; 10.367 90; 90; 90 | 1998.17 | Grey, I. E.; Mumme, W. G.; Hochleitner, R. Trimeric As3+3O6 clusters in walentaite: crystal structure and revised formula European Journal of Mineralogy, 2019, 31, 111-116 |
9017257 | CIF | Al0.04 Fe2.07 H19 Mg0.06 Mn1.53 O23 P3 Zn1.3 | P 1 21/m 1 | 6.307; 11.074; 13.085 90; 99.62; 90 | 901.054 | Kampf, A. R.; Grey, I. E.; MacRae, C. M.; Keck, E. Manganflurlite, ZnMn32+Fe3+(PO4)3(OH)2(H2O)7·2H2O, a new schoonerite-related mineral from the Hagendorf-Sud pegmatite Note: T = 100 K European Journal of Mineralogy, 2019, 31, 127-134 |
9017258 | CIF | Fe4.44 H5.88 Mn0.52 O17 P3 Zn0.04 | B b m m | 14.0016; 16.8593; 5.1831 90; 90; 90 | 1223.51 | Grey, I. E.; Kampf, A. R.; Keck, E.; Cashion, J. D.; MacRae, C. M.; Gozukara, Y.; Peterson, V. K.; Shanks, F. L. The rockbridgeite group approved and a new member, ferrorockbridgeite, (Fe2+,Mn2+)2(Fe3+)3(PO4)3(OH)4(H2O), described from the Hagendorf Sud pegmatite, Oberpfalz, Bavaria Note: neutron powder on sample IGC90 European Journal of Mineralogy, 2019, 31, 389-397 |
9017259 | CIF | Fe4.17 H5.78 Mn0.77 O17 P3 Zn0.06 | B b m m | 13.995; 16.884; 5.1866 90; 90; 90 | 1225.55 | Grey, I. E.; Kampf, A. R.; Keck, E.; Cashion, J. D.; MacRae, C. M.; Gozukara, Y.; Peterson, V. K.; Shanks, F. L. The rockbridgeite group approved and a new member, ferrorockbridgeite, (Fe2+,Mn2+)2(Fe3+)3(PO4)3(OH)4(H2O), described from the Hagendorf Sud pegmatite, Oberpfalz, Bavaria Note: X-ray single crystal on sample IGC29 Note: T = 100 K European Journal of Mineralogy, 2019, 31, 389-397 |
9017260 | CIF | Al0.02 Ba0.38 Ca0.04 Fe2.08 H3 Mn1.86 Na0.02 O15 P3 Sr0.6 | P 1 21/m 1 | 9.183; 12.349; 5.0081 90; 100.23; 90 | 558.894 | Elliott, P. Strontioperloffite, SrMn22+Fe32+PO43+OH3, a new bjarebyite-group mineral from the Spring Creek mine, South Australia, Australia European Journal of Mineralogy, 2019, 31, 549-555 |
9017261 | CIF | Fe3.85 H8.74 Mn3 O24.08 P4 | P 1 2/a 1 | 13.909; 5.186; 12.159 90; 98.88; 90 | 866.541 | Sejkora, J.; Grey, I. E.; Kampf, A. R. Kenngottite, Mn32+Fe43+(PO4)4(OH)6(H2O)2: a new phosphate mineral from Krasno near Horni Slavkov, Czech Republic Note: water and hydroxyl groups are not well located European Journal of Mineralogy, 2019, 31, 629-636 |
9017262 | CIF | Al1.96 Ca2 Fe0.1 H10 Mg0.06 Mn0.38 O20 P3 | C 1 2/c 1 | 10.021; 24.137; 6.226 90; 91.54; 90 | 1505.38 | Grey, I. E.; Kampf, A. R.; Smith, J. B.; MacRae, C. M.; Keck, E. Fanfaniite, Ca4Mn2+Al4(PO4)6(OH,F)4*12H2O, a new mineral with a montgomeryite-type structure European Journal of Mineralogy, 2019, 31, 647-652 |
9017263 | CIF | Al4 Ca3.091 Fe0.568 Mg0.14 Mn1.178 O40 P6 | P -1 | 20.067; 13.197; 6.255 89.35; 91.21; 112.2 | 1533.33 | Grey, I. E.; Kampf, A. R.; Smith, J. B.; Williams, T.; MacRae, C. M. The calcioferrite group approved and kingsmountite redefined Note: sample K5, T = 100 K European Journal of Mineralogy, 2019, 31, 1007-1014 |
9017264 | CIF | Bi0.01 Co1.932 Fe0.06 Ni Pb0.01 S4 | F d -3 m :2 | 9.3933; 9.3933; 9.3933 90; 90; 90 | 828.809 | Skacha, P.; Sejkora, J.; Plasil, J.; Dolnicek, Z.; Ulmanova, J. Grimmite, NiCo2S4, a new thiospinel from Pribram, Czech Republic European Journal of Mineralogy, 2021, 33, 175-187 |
9017265 | CIF | C2 H4 Fe O6 | C 1 2/c 1 | 12.011; 5.557; 9.92 90; 128.53; 90 | 517.958 | Echigo, T.; Kimata, M. Single-crystal X-ray diffraction and spectroscopic studies on humboldtine and lindbergite: weak Jahn-Teller effect of Fe2+ ion Physics and Chemistry of Minerals, 2008, 35, 467-475 |
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 |
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 |
9017268 | CIF | Cr Na O6 Si2 | C 1 2/c 1 | 9.524; 8.672; 5.2411 90; 107.36; 90 | 413.156 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 2.1 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017269 | CIF | Cr Na O6 Si2 | C 1 2/c 1 | 9.197; 8.327; 5.0572 90; 106.23; 90 | 371.863 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 18.5 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017270 | CIF | Cr Na O6 Si2 | C 1 2/c 1 | 9.084; 8.077; 4.9544 90; 105.7; 90 | 349.95 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 31.3 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017271 | CIF | Cr Na O6 Si2 | C 1 2/c 1 | 9.076; 7.971; 4.9309 90; 105.56; 90 | 343.651 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 35.3 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017272 | CIF | Cr Na O6 Si2 | C 1 2/c 1 | 9.011; 7.918; 4.8955 90; 105.1; 90 | 337.229 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 40.2 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017273 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.368; 8.539; 5.1975 90; 107.44; 90 | 396.653 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 1.9 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017274 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.3; 8.447; 5.157 90; 107.14; 90 | 387.127 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 5.6 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017275 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.243; 8.407; 5.122 90; 106.85; 90 | 380.922 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 8.2 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017276 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.163; 8.34; 5.0739 90; 106.52; 90 | 371.739 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 12.4 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017277 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.082; 8.2; 5.02 90; 106.12; 90 | 359.152 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 18.3 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017278 | CIF | Al Na O6 Si2 | C 1 2/c 1 | 9.034; 8.184; 4.9875 90; 106.02; 90 | 354.427 | Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P. High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 21.5 GPa Physics and Chemistry of Minerals, 2014, 41, 695-707 |
9017279 | CIF | Ca O4 S | B m m b | 7.03276; 7.02381; 6.32712 90; 90; 90 | 312.539 | Xu, H.; Guo, X.; Bai, J. Thermal behavior of polyhalite: a high-temperature synchrotron XRD study Note: T = 648 K Physics and Chemistry of Minerals, 2017, 44, 125-135 |
9017280 | CIF | As28 Ca16 F0.941 Fe7.536 Mn2 O84 Ti6 | P n -3 :2 | 15.9507; 15.9507; 15.9507 90; 90; 90 | 4058.25 | Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M. On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xray final province, Italy Physics and Chemistry of Minerals, 2018, 45, 819-829 |
9017281 | CIF | As28 Ca16 F Fe7.278 Mn1.94 O84 Ti5.31 | P n -3 :2 | 15.9507; 15.9507; 15.9507 90; 90; 90 | 4058.25 | Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M. On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: neutron diffraction province, Italy Physics and Chemistry of Minerals, 2018, 45, 819-829 |
9017282 | CIF | As28 Ca16 F0.969 Fe7.506 Mn2 O84 Ti6 | P n -3 :2 | 15.9507; 15.9507; 15.9507 90; 90; 90 | 4058.25 | Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M. On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xraysplit final province, Italy Physics and Chemistry of Minerals, 2018, 45, 819-829 |
9017283 | CIF | As1.628 Cu5 H8 O15 P0.372 Zn | P 1 21/c 1 | 12.385; 9.261; 10.77 90; 97.1; 90 | 1225.82 | Krivovichev, S. V.; Zhitova, E. S.; Ismagilova, R. M.; Zolotarev, A. A. Site-selective As-P substitution and hydrogen bonding in the crystal structure of philipsburgite, Cu5Zn((As,P)O4)2(OH)6*H2O Note: T = 100 K Physics and Chemistry of Minerals, 2018, 45, 917-923 |
9017284 | CIF | Fe3 H17 K5 O35 S6 | P 1 21/c 1 | 9.448; 18.3183; 17.9825 90; 92.274; 90 | 3109.8 | Biagioni, C.; Bindi, L.; Mauro, D.; Pasero, M. Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the ß-Maus's salt and its dehydration product Note: T = 100 K Physics and Chemistry of Minerals, 2020, 47 |
9017285 | CIF | Fe3 H8 K5 O31.52 S6 | P 1 21/c 1 | 9.3434; 18.1838; 17.7702 90; 96.381; 90 | 3000.43 | Biagioni, C.; Bindi, L.; Mauro, D.; Pasero, M. Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the beta-Maus's salt and its dehydration product Note: this is the dehydration product Physics and Chemistry of Minerals, 2020, 47 |
9017286 | CIF | Bi6 O15 Te2 | P n m a | 10.637; 22.797; 5.4136 90; 90; 90 | 1312.75 | Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J. Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite Physics and Chemistry of Minerals, 2020, 47 |
9017287 | CIF | Bi5 O16 Te | P n m a | 10.61155; 22.74458; 5.399038 90; 90; 90 | 1303.09 | Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J. Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite Physics and Chemistry of Minerals, 2020, 47 |
9017288 | CIF | Al0.98 K O8 Si3.02 | C 1 2/m 1 | 8.5616; 12.9962; 7.1934 90; 116.015; 90 | 719.3 | Jones, J. B.; Taylor, W. H. The structure of orthoclase Acta Crystallographica, 1961, 14, 443-456 |
9017290 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.48; 12.97; 7.18 90; 115.98; 90 | 709.895 | Ribbe, P. H. A refinement of the crystal structure of sanidinised orthoclase Note: Occupancies not provided, estimated using Kroll & Ribbe, 1983 Acta Crystallographica, 1963, 16, 426-427 |
9017291 | CIF | H20 N2 Ni O14 S2 | P 1 21/a 1 | 9.241; 12.554; 6.243 90; 106.97; 90 | 692.724 | Montgomery, H.; Lingafelter, E. C. The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate Acta Crystallographica, 1964, 17, 1478-1479 |
9017292 | CIF | H20 Mg N2 O14 S2 | P 1 21/a 1 | 9.383; 12.669; 6.22 90; 107.05; 90 | 706.895 | Montgomery, H.; Lingafelter, E. C. The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate Acta Crystallographica, 1964, 17, 1478-1479 |
9017293 | CIF | O2 Si | C 2 2 21 (a,b,c+1/4) | 8.74; 5.04; 8.24 90; 90; 90 | 362.969 | Dollase, W. A. The crystal structure at 220 C of orthothombic high tridymite from the Steinbach meteorite Note: T = 220 C Acta Crystallographica, 1967, 23, 617-623 |
9017294 | CIF | H16 Mg N O10 P | P m n 21 | 6.941; 6.137; 11.199 90; 90; 90 | 477.043 | Whitaker, A.; Jeffery, J. W. The crystal structure of struvite, MgNH4PO4*6H2O Acta Crystallographica, Section B, 1970, 26, 1429-1440 |
9017295 | CIF | Ca Cl2 O4 | P -1 | 6.593; 6.364; 8.557 97.77; 93.52; 110.56 | 330.776 | Thewalt, U.; Bugg, C. E. Crystal structure of calcium chloride tetrahydrate Acta Crystallographica, Section B, 1973, 29, 615-617 |
9017296 | CIF | H6 O8 S V | P 1 21/c 1 | 7.411; 7.439; 12.272 90; 108.9; 90 | 640.084 | Theobald, F.; Galy, J. Structure cristalline de VOSO4((H2O)3 Note: polymorph of bobjonesite Acta Crystallographica, Section B, 1973, 29, 2732-2736 |
9017297 | CIF | Ca O4 S | B m m b | 6.992; 6.999; 6.24 90; 90; 90 | 305.367 | Morikawa, H.; Tomita, T.; Minato, I.; Iwai, S. Anhydrite: a refinement Acta Crystallographica, Section B, 1975, 31, 2164-2165 |
9017298 | CIF | O2 Si | C 1 c 1 | 18.494; 4.991; 25.832 90; 117.75; 90 | 2110.15 | Kato, V. K.; Nukui, A. Die kristallstruktur des monoklinen tief-tridymits Acta Crystallographica, Section B, 1976, 32, 2486-2491 |
9017299 | CIF | Al0.94 K0.871 Na0.12 O8 Rb0.008 Si3.06 | C -1 | 8.567; 12.98; 7.2 90.07; 116.03; 89.75 | 719.417 | Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P17C Acta Crystallographica, Section B, 1978, 34, 2699-2707 |
9017300 | CIF | Al0.95 Ba0.006 Ca0.005 K0.904 Na0.085 O8 Si3.05 | C -1 | 8.564; 12.984; 7.201 90.13; 116.02; 89.53 | 719.53 | Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample A1D Acta Crystallographica, Section B, 1978, 34, 2699-2707 |
9017301 | CIF | Al0.99 K0.94 Na0.06 O8 Si3.01 | C -1 | 8.56; 12.984; 7.209 90.28; 116.03; 89.03 | 719.851 | Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1B Acta Crystallographica, Section B, 1978, 34, 2699-2707 |
9017302 | CIF | Al0.95 K0.94 Na0.06 O8 Si3.05 | C -1 | 8.574; 12.962; 7.21 90.35; 116.03; 88.8 | 719.85 | Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P1C Acta Crystallographica, Section B, 1978, 34, 2699-2707 |
9017303 | CIF | Al0.99 K0.92 Na0.08 O8 Si3.01 | C -1 | 8.567; 12.97; 7.221 90.43; 116; 88.48 | 720.89 | Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample RC20C Acta Crystallographica, Section B, 1978, 34, 2699-2707 |
9017304 | CIF | Al1.01 K0.94 Na0.06 O8 Si2.99 | C -1 | 8.561; 12.972; 7.223 90.56; 115.93; 87.92 | 720.894 | Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1E Acta Crystallographica, Section B, 1978, 34, 2699-2707 |
9017305 | CIF | Al1.01 K0.94 Na0.06 O8 Si2.99 | C -1 | 8.589; 13.013; 7.197 90; 116.02; 90 | 722.866 | Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P2B Acta Crystallographica, Section B, 1978, 34, 2699-2707 |
9017306 | CIF | Al0.97 Ba0.005 Ca0.009 K0.931 Na0.055 O8 Si3.03 | C -1 | 8.583; 12.988; 7.202 90; 116.05; 90 | 721.29 | Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P2A Acta Crystallographica, Section B, 1978, 34, 2699-2707 |
9017307 | CIF | Al1.005 Ba0.01 Ca0.01 K0.88 Na0.1 O8 Si2.995 | C -1 | 8.563; 12.99; 7.21 90; 115.93; 90 | 721.255 | Dal Negro, A.; De Pieri, R.; Quareni, S. The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1A Acta Crystallographica, Section B, 1978, 34, 2699-2707 |
9017308 | CIF | H Na3 O8 S2 | P 1 21/c 1 | 8.648; 9.648; 9.143 90; 108.77; 90 | 722.284 | Catti, M.; Ferraris, G.; Ivaldi, G. A very short, and asymmetrical, hydrogen bond in the structure of Na3H(SO4)2 and S-OH vs O-H...O correlation Acta Crystallographica, Section B, 1979, 35, 525-529 |
9017310 | CIF | Fe H6 O6 S | P 1 21/n 1 | 6.604; 8.693; 8.714 90; 96.05; 90 | 497.472 | Johansson, L. G.; Lindqvist, O. The crystal structure of iron(II) sulfite trihydrate, a-FeSO3.3H2O Acta Crystallographica, Section B, 1979, 35, 1017-1020 |
9017311 | CIF | Cl4 K2 Zn | P n a 21 | 26.778; 12.402; 7.256 90; 90; 90 | 2409.72 | Mikhail, I.; Peters, K. The structure of potassium tetrachlorozincate Acta Crystallographica, Section B, 1979, 35, 1200-1201 |
9017312 | CIF | Ca O4 S | A m m a | 7.006; 6.998; 6.245 90; 90; 90 | 306.18 | Kirfel, A.; Will, G. Charge density in anhydrite, CaSO4, from X-ray and neutron diffraction measurements Acta Crystallographica, Section B, 1980, 36, 2881-2890 |
9017313 | CIF | Ca H4 O6 S | I 1 2/c 1 | 5.679; 15.202; 6.522 90; 118.43; 90 | 495.153 | Pedersen, B. F.; Semmingsen, D. Neutron diffraction refinement of the structure of gypsum, CaSO4*2H2O Acta Crystallographica, Section B, 1982, 38, 1074-1077 |
9017314 | CIF | Be | P 63/m m c | 2.2853; 2.2853; 3.5842 90; 90; 120 | 16.211 | Larsen, F. K.; Hansen, N. K. Diffraction study of the electron density distribution in beryllium metal Acta Crystallographica, Section B, 1984, 40, 169-179 |
9017315 | CIF | H16 Mg N O10 P | P m n 21 | 6.955; 6.142; 11.218 90; 90; 90 | 479.206 | Abbona, F.; Calleri, M.; Ivaldi, G. Synthetic struvite MgNH4PO4*6H2O: Correct polarity and surface features of some complementary forms Acta Crystallographica, Section B, 1984, 40, 223-227 |
9017316 | CIF | C H4 N2 O | P -4 21 m | 5.584; 5.584; 4.689 90; 90; 90 | 146.208 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 123 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
9017317 | CIF | C H4 N2 O | P -4 21 m | 5.57; 5.57; 4.688 90; 90; 90 | 145.445 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 60 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
9017318 | CIF | C H4 N2 O | P -4 21 m | 5.565; 5.565; 4.684 90; 90; 90 | 145.06 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 12 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
9017319 | CIF | F3 La | P -3 c 1 | 7.185; 7.185; 7.351 90; 90; 120 | 328.648 | Zalkin, A.; Templeton, D. H. Refinement of the trigonal structure of lanthanum trifluoride with neutron diffraction data Note: neutron data Acta Crystallographica, Section B, 1985, 41, 91-93 |
9017320 | CIF | C14 H10 | P 1 21 1 | 8.441; 6.14; 9.438 90; 97.96; 90 | 484.437 | Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B. Oriental disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K Acta Crystallographica, Section B, 1990, 46, 830-832 |
9017321 | CIF | As K O5 Ti | P n a 21 | 13.138; 6.582; 10.787 90; 90; 90 | 932.798 | Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N. Structure and non-linear optical properties of KTiOAsO4 Acta Crystallographica, Section B, 1994, 50, 655-662 |
9017322 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2055; 10.2055; 7.4483 90; 90; 120 | 671.825 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017323 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2224; 10.2224; 7.4494 90; 90; 120 | 674.152 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017324 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2323; 10.2323; 7.4533 90; 90; 120 | 675.812 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017325 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2415; 10.2415; 7.4594 90; 90; 120 | 677.582 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017326 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2055; 10.2055; 7.4483 90; 90; 120 | 671.825 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017327 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2055; 10.2055; 7.4483 90; 90; 120 | 671.825 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017328 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2224; 10.2224; 7.4494 90; 90; 120 | 674.152 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017329 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2224; 10.2224; 7.4494 90; 90; 120 | 674.152 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017330 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2323; 10.2323; 7.4533 90; 90; 120 | 675.812 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017331 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2323; 10.2323; 7.4533 90; 90; 120 | 675.812 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017332 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2415; 10.2415; 7.4594 90; 90; 120 | 677.582 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017333 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2415; 10.2415; 7.4594 90; 90; 120 | 677.582 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
9017334 | CIF | C H O4 Pb1.5 | R -3 m :H | 5.2475; 5.2475; 23.6795 90; 90; 120 | 564.687 | Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R. Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica, Section B, 2018, 74, 182-195 |
9017335 | CIF | C H O4 Pb1.5 | R -3 m :H | 5.257; 5.257; 23.636 90; 90; 120 | 565.693 | Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R. Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica, Section B, 2018, 74, 182-195 |
9017336 | CIF | C2.3 Ba3 Ca26.433 F10.375 Na0.567 O68.375 P7.4 Si13 | R -3 m :H | 7.1255; 7.1255; 66.2902 90; 90; 120 | 2914.81 | Kruger, B.; Kruger, H.; Galuskin, E. V.; Galuskina, I. O.; Vapnik, Y.; Olieric, V.; Pauluhn, A. Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder of a new mineral with single and triple antiperovskite layers Acta Crystallographica, Section B, 2018, 74, 492-501 |
9017337 | CIF | O2 Si | C 2 2 21 | 8.7549; 5.0335; 8.2118 90; 90; 90 | 361.876 | Lee, S.; Xu, H. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite Acta Crystallographica, Section B, 2019, 75 |
9017338 | CIF | O2 Si | P 41 21 2 | 4.9727; 4.9727; 6.9257 90; 90; 90 | 171.257 | Lee, S.; Xu, H. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite Acta Crystallographica, Section B, 2019, 75 |
9017339 | CIF | Ca H1.62 O4.81 S | P 31 2 1 | 6.968; 6.968; 6.41 90; 90; 120 | 269.529 | Abriel, W. Calcium sulfat subhydrat, CaSO4.0,8H2O Acta Crystallographica, Section C, 1983, 39, 956-958 |
9017340 | CIF | Bi4 In2 Pb4 S13 | P b a m | 21.344; 26.494; 4.002 90; 90; 90 | 2263.08 | Kramer, V. Lead indium bismuth chalcogenides. III. Structure of Pb4In2Bi4S13 Acta Crystallographica, Section C, 1986, 42, 1089-1091 |
9017341 | CIF | H24 Mn Na3 O22 P3 | P 1 21/n 1 | 14.763; 9.325; 15.14 90; 89.87; 90 | 2084.24 | Lightfoot, P.; Cheetham, A. K. Structure of manganese(II) trisodium tripolyphosphate dodecahydrate Locaality: synthetic Acta Crystallographica, Section C, 1987, 43, 4-7 |
9017344 | CIF | C H6 Mn N2 O14 P3 | P -1 | 9.747; 9.751; 7.689 99.92; 105.88; 100.08 | 673.084 | Averbuch-Pouchot M T; Durif, A. Crystal chemistry of cyclo-hexaphosphates. IX. structure of tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate Acta Crystallographica, Section C, 1990, 46, 965-968 |
9017346 | CIF | Al3 Ge2 Ni Y3 | P -6 2 m | 6.9481; 6.9481; 4.1565 90; 90; 90 | 200.66 | Zhao, J. T.; Parthe, E. Y3NiAl3Ge2, a quaternary substitution variant of the hexagonal Fe2P type Acta Crystallographica, Section C, 1990, 46, 2273-2276 |
9017347 | CIF | C27 V2 | C c c e :1 | 19.529; 29.559; 16.446 90; 90; 90 | 9493.58 | Braga, D.; Sabatino, P. Bis(arene)vanadium complexes. A structural study Sample: 1 Acta Crystallographica, Section C, 1990, 46, 2308-2312 |
9017348 | CIF | C2 H4 Mn O6 | C 1 2/c 1 | 11.7648; 5.644; 9.6367 90; 125.843; 90 | 518.704 | Soleimannejad, J.; Aghabozorg, H.; Hooshmand, S.; Ghadermaz, M.; Gharamaleki, J. A. The monoclinic polymorph of catena-poly [[diaquamanganese(II)]-mu-oxalato-4O1,O2:O1',O2'] Acta Crystallographica, Section E, 2007, 63, m2389-m2390 |
9017349 | CIF | Ca7 F0.4 Fe0.04 H1.4 K0.89 Li3 Na0.12 O37.4 Si12 Sn0.02 Ti1.8 Zr0.14 | C 1 2/c 1 | 16.9093; 9.7287; 20.9019 90; 112.396; 90 | 3179.12 | Andrade, M. B.; Doell, D.; Downs, R. T.; Yang, H. Redetermination of katayamalite, KLi3Ca7Ti2(SiO3)12(OH)2 Acta Crystallographica, Section E, 2013, 69, i41-i41 |
9017350 | CIF | As2.484 Ca0.43 Cu6 Dy0.01 Er0.02 H12.002 Ho0.01 O21.001 P0.516 Y0.52 Yb0.01 | P 63/m | 13.5059; 13.5059; 5.8903 90; 90; 120 | 930.497 | Morrison, S. M.; Domanik, K. J.; Origlieri, M. J.; Downs, R. T. Agardite-(Y), Cu2+6Y(AsO4)3(OH)6*3H2O Acta Crystallographica, Section E, 2013, 69, i61-i62 |
9017351 | CIF | Al0.534 Ca1.97 Fe1.465 H14 Mg0.5 O20 P3 Sr0.03 | C 1 2/c 1 | 10.1936; 24.1959; 6.3218 90; 91.161; 90 | 1558.91 | Lafuente, B.; Downs, R. T.; Yang H and Jenkins, R. A. Calcioferrite with composition (Ca3.94Sr0.06)Mg1.01(Fe2.93Al1.07)(PO4)6(OH)4*12H2O Acta Crystallographica, Section E, 2014, 70, 116-117 |
9017352 | CIF | As0.02 Fe0.09 H Mn0.82 O9 Pb2 V1.98 Zn0.09 | P 1 21/m 1 | 7.6492; 6.1262; 8.9241 90; 112.195; 90 | 387.202 | Lafuente, B.; Downs, R. T. Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH) Acta Crystallographica, Section E, 2016, 72, 293-296 |
9017353 | CIF | Al0.05 Ca1.9 Fe0.07 H8 Mg0.04 Mn1.88 O17 Si4 Sr0.06 | C 1 2 1 | 9.036; 6.1683; 11.9601 90; 91.433; 90 | 666.409 | Fendrich, K. V.; Downs, R. T.; Origlieri, M. J. Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)](OH)2*2H2O Acta Crystallographica, Section E, 2016, 72, 959-963 |
9017354 | CIF | Ca0.968 H4 O8 V1.885 | P -1 | 6.2059; 7.0635; 7.7516 93.166; 96.548; 105.883 | 323.359 | Kobsch, A.; Downs, R. T.; Domanik, K. J. Redetermination of metarossite, CaV5+2O6*2H2O Acta Crystallographica, Section E, 2016, 72, 1280-1284 |
9017355 | CIF | Al0.09 Ca1.925 Fe1.615 H K0.015 Mg0.13 Mn0.3 Na0.015 O15 Si4.915 | P -1 | 7.509; 11.697; 6.719 91.433; 93.886; 104.255 | 570.132 | Araki, T.; Zoltai, T. Crystal structure of babingtonite Zeitschrift fur Kristallographie, 1972, 135, 355-373 |
9017356 | CIF | C2 Ca Fe0.05 Mg0.94 Mn0.01 O6 | R -3 :H | 4.812; 4.812; 16.02 90; 90; 120 | 321.251 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
9017357 | CIF | C Fe0.02 Mg0.01 O3 Zn0.97 | R -3 c :H | 4.6526; 4.6526; 15.0257 90; 90; 120 | 281.68 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
9017358 | CIF | C Fe0.06 Mg0.01 Mn0.93 O3 | R -3 c :H | 4.7682; 4.7682; 15.6354 90; 90; 120 | 307.857 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
9017359 | CIF | C Ca0.99 Mg0.01 O3 | R -3 c :H | 4.9896; 4.9896; 17.061 90; 90; 120 | 367.846 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
9017360 | CIF | C Fe0.01 Mg0.99 O3 | R -3 c :H | 4.6328; 4.6328; 15.0129 90; 90; 120 | 279.05 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
9017361 | CIF | C Fe0.95 Mn0.05 O3 | R -3 c :H | 4.6916; 4.6916; 15.3796 90; 90; 120 | 293.169 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
9017362 | CIF | Al H24 N O12 Os8 S2 | P a -3 | 12.242; 12.242; 12.242 90; 90; 90 | 1834.67 | Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A. X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data Zeitschrift fur Kristallographie, 1981, 157, 147-166 |
9017363 | CIF | O34 Si17 | P 6/m m m | 13.783; 13.783; 11.19 90; 90; 120 | 1840.98 | Gerke, H.; Gies, H. Studies on clathrasils. IV. Crystal structure of dodecasil 1H, a synthetic clathrate compound of silica Zeitschrift fur Kristallographie, 1984, 166, 11-22 |
9017364 | CIF | Al3.71 Ca1.72 Na0.28 O16 Si4.29 | P -1 | 8.188; 12.822; 14.196 93.37; 116.04; 90.87 | 1335.38 | Chiari, G.; Benna, P.; Bruno, E. The structure of bytownite (An85). A new refinement Zeitschrift fur Kristallographie, 1984, 169, 35-49 |
9017365 | CIF | Al3.71 Ca1.72 Na0.28 O16 Si4.29 | I -1 | 8.188; 12.822; 14.196 93.37; 116.04; 90.87 | 1335.38 | Chiari, G.; Benna, P.; Bruno, E. The structure of bytownite (An85). A new refinement Zeitschrift fur Kristallographie, 1984, 169, 35-49 |
9017368 | CIF | As2 Te3 | C 1 2/m 1 | 14.3573; 4.0199; 9.899 90; 95.107; 90 | 569.052 | Stergiou, A. C.; Rentzeperis, P. J. Hydrothermal growth and the crystal structure of arsenic telluride, As2Te3 Zeitschrift fur Kristallographie, 1985, 172, 139-145 |
9017370 | CIF | O3 Se Zn | P b c a | 7.188; 6.225; 11.976 90; 90; 90 | 535.87 | Bensch, W.; Gunther, J. R. The crystal structure of beta-zinc selenite Zeitschrift fur Kristallographie, 1986, 174, 291-295 |
9017371 | CIF | O2 Si | C 2 2 21 (a,b,c+1/4) | 8.74; 5.04; 8.24 90; 90; 90 | 362.969 | Kihara, K.; Matsumoto, T.; Imamura, M. Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: Dollase's model, T = 733 K Zeitschrift fur Kristallographie, 1986, 177, 27-38 |
9017372 | CIF | O2 Si | P 63/m m c | 5.052; 5.052; 8.27 90; 90; 120 | 182.794 | Kihara, K.; Matsumoto, T.; Imamura, M. Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: hexagonal Gibbs model, T = 733 K Zeitschrift fur Kristallographie, 1986, 177, 27-38 |
9017373 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.0275; 6.9312; 12.6919 90; 90.18; 90 | 1058.06 | Abriel, W.; Nesper, R. Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen Zeitschrift fur Kristallographie, 1993, 205, 99-113 |
9017374 | CIF | Ca H O4.5 S | P 31 2 1 | 6.937; 6.937; 6.345 90; 90; 120 | 264.427 | Abriel, W.; Nesper, R. Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen Zeitschrift fur Kristallographie, 1993, 205, 99-113 |
9017375 | CIF | Te | P 32 2 1 | 4.44693; 4.44693; 5.91492 90; 90; 120 | 101.298 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 7-83 |
9017376 | CIF | Pd2 Si | P -6 2 m | 6.496; 6.496; 3.433 90; 90; 120 | 125.457 | Nylund, A. Some notes on the palladium-silicon system Acta Chemica Scandinavica, 1966, 20, 2381-2386 |
9017377 | CIF | F3 Y | P n m a | 6.3537; 6.8545; 4.3953 90; 90; 90 | 191.422 | Cheetham, A. K.; Norman, N. The structures of yttrium and bismuth trifluorides by neutron diffraction Acta Chemica Scandinavica, 1974, 55-60 |
9017378 | CIF | Bi2 O9 S2 | C 1 2/c 1 | 32.16; 6.7606; 22.612 90; 119.55; 90 | 4276.83 | Aurivillius, B. Pyrolysis products of Bi2(SO4)3. II. Crystal structure of Bi2O(SO4)2 Acta Chemica Scandinavica, 1988, 95-110 |
9017379 | CIF | Al H2 O2 | C m c m | 2.876; 12.24; 3.709 90; 90; 90 | 130.565 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
9017380 | CIF | Al H O2 | C m c 21 | 2.876; 12.24; 3.709 90; 90; 90 | 130.565 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
9017381 | CIF | Fe H2 O2 | C m c m | 3.07; 12.53; 3.876 90; 90; 90 | 149.098 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
9017382 | CIF | Fe H O2 | C m c 21 | 3.07; 12.53; 3.876 90; 90; 90 | 149.098 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
9017383 | CIF | Ti | P 63/m m c | 2.95; 2.95; 4.686 90; 90; 120 | 35.316 | Fang, Q.; Bai, W.; Yang, J.; Rong, H.; Shi, N.; Li, G.; Xiong, M.; Ma, Z. Titanium, Ti, a new mineral species from Luobusha, Tibet, China Acta Geologica Sinica, 2013, 87, 1275-1280 |
9017384 | CIF | Al0.01 Ca0.74 Ce0.05 F0.09 Fe0.02 H0.91 Mg0.01 Na0.58 Nb1.15 O6.91 Ta0.03 Ti0.8 U0.4 | F d -3 m :2 | 10.381; 10.381; 10.381 90; 90; 90 | 1118.71 | Yang, G.; Li, G.; Xiong, M.; Pan, B.; Yan, C. Hydroxycalciopyrochlore, a new mineral species from Sichuan, China Acta Geologica Sinica, 2014, 88, 748-753 |
9017385 | CIF | Cl4 K2 Zn | P n a 21 | 26.751; 12.393; 7.247 90; 90; 90 | 2402.56 | Kusz, J.; Kucharczyk, D. The comparative study of the commensurate structure of K2ZnC14 Applied Crystallography: Proceedings of the XVI Conference, 1994, 16, 268-272 |
9017386 | CIF | B K O6 Si2 | P 21 21 21 | 9.963; 10.4348; 4.7044 90; 90; 90 | 489.078 | Sokolova, E. V.; Uvarova Yu, A.; Hawthorne, F. C.; Khomyakov, A. P. First edition. A A Balkema, Rotterdam, Netherlands Crystal chemistry of a novel zeolite mineral from the Kbibiny Alkaline Massif, Kolal Peninsula Applied Mineralogy in Research, Economy, Technology, and Culture, 2000, 1, 254-248 |
9017387 | CIF | H Mn O3 Pb | P 1 2/c 1 | 9.118; 5.676; 5.604 90; 87; 90 | 289.631 | Bystrom, A. The structure of quenselite, PbMnO2OH Arkiv for Kemi, Mineralogi och Geologi, 1944, 19, 1-9 |
9017388 | CIF | Cl2 Co0.02 Cu3.27 H6 Ni0.71 O6 | R -3 :H | 13.682; 13.682; 13.916 90; 90; 120 | 2256.03 | Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Downes, P. J.; Welch, M. D.; Kampf, A. R. Paratacamite-(Ni), Cu3(Ni,Cu)Cl2(OH)6, a new mineral from the Carr Boyd Rocks mine, Western Australia Australian Journal of Mineralogy, 2013, 17, 39-44 |
9017390 | CIF | H4 Mo O5 | P 1 21/n 1 | 10.596; 13.804; 10.462 90; 91.59; 90 | 1529.66 | Cesbron, F.; Ginderow, D. La sidwillite, MoO3*2H2O; une nouvelle espece minerale de Lake Como, Colorado, U.S.A. Bulletin de Mineralogie, 1985, 108, 813-823 |
9017391 | CIF | C2 Mn O6 | C 1 2/c 1 | 12.0155; 5.6323; 9.9609 90; 128.37; 90 | 528.509 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
9017392 | CIF | C2 Co O6 | C 1 2/c 1 | 11.775; 5.416; 9.859 90; 127.85; 90 | 496.467 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
9017393 | CIF | C2 Ni O6 | C 1 2/c 1 | 11.7748; 5.3328; 9.8326 90; 127.21; 90 | 491.724 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
9017394 | CIF | C2 O6 Zn | C 1 2/c 1 | 11.8039; 5.4028; 9.9213 90; 127.7; 90 | 500.625 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
9017395 | CIF | As Rh | P n m a | 5.62; 3.58; 6 90; 90; 90 | 120.718 | Heyding, R. D.; Calvert, L. D. Arsenides of the transition metals IV. A note on the platinum metal arsenides Canadian Journal of Chemistry, 1961, 39, 955-957 |
9017396 | CIF | Al K0.86 Na0.14 O8 Si3 | C 1 2/m 1 | 8.543; 13.021; 7.183 90; 115.98; 90 | 718.282 | Ohashi, Y.; Finger LW Refinement of the crystal structure of sanidine at 25 and 400C Note: T = 25 C Carnegie Institution of Washington: Yearbook, 1974, 73, 539-544 |
9017398 | CIF | Al K0.86 Na0.14 O8 Si3 | C 1 2/m 1 | 8.682; 13.013; 7.184 90; 115.71; 90 | 731.289 | Ohashi, Y.; Finger LW An effect of temperature on the feldspar structure: crystal structure of sanidine at 800C Note: T = 800 C Carnegie Institution of Washington: Yearbook, 1975, 74, 569-572 |
9017399 | CIF | Al7 Ca6 F O16 | I -4 3 d | 11.981; 11.981; 11.981 90; 90; 90 | 1719.81 | Yu, Q.; Sugita, S.; Feng, X.; Mi, J. On the preparation of single crystals of 11CaO*7Al2O3*CaF2 and the confirmation of its crystal structure Cement and Concrete Research, 1997, 27, 1439-1449 |
9017400 | CIF | Ca2 O9 S2 | P 31 | 6.93145; 6.93145; 12.73617 90; 90; 120 | 529.929 | Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T. Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4 Chemistry of Materials, 2008, 20, 2124-2132 |
9017401 | CIF | Ca O4 S | P 62 2 2 | 6.96895; 6.96865; 6.30044 90; 90; 120 | 264.983 | Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T. Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4 Chemistry of Materials, 2008, 20, 2124-2132 |
9017402 | CIF | C H4 Ca7 O23 Si6 | C 1 m 1 | 10.0394; 15.1935; 6.6344 90; 115.645; 90 | 912.283 | Zhang, L.; Fu, P.; Yang, H.; Yu, K.; Zhou, Z. Crystal structure of Scawtite Chinese Science Bulletin, 1992, 37, 930-934 |
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 |
9017404 | CIF | Ca O4 S | B b m m | 6.24; 6.98; 6.97 90; 90; 90 | 303.58 | Wasastjerna, J. The crystal structure of anhydrite, CaSO4 Commentationes Physico-Mathematicae, 1927, 2, 1-46 |
9017405 | CIF | O9 Sn Ta | P m -3 m | 3.88; 3.88; 3.88 90; 90; 90 | 58.411 | Gasperin, M. Synthese et identification de deux oxydes doubles de tantale et d'etain Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1955, 240, 2340-2342 |
9017406 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.01917; 6.93028; 12.66972 90; 90.2348; 90 | 1055.33 | Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A. Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.5H2O Comptes Rendus de l'Academie des Sciences Paris, 1991, 312, 43-48 |
9017407 | CIF | Ca3 H3.6 O13.8 S3 | C 1 2 1 | 11.9991; 6.9254; 6.3766 90; 90; 90 | 529.886 | Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A. Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.6H2O Comptes Rendus de l'Academie des Sciences Paris, 1991, 312, 43-48 |
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 |
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 |
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 |
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 |
9017412 | CIF | C Ca O3 | C 1 | 12.353; 7.102; 25.733 90.46; 99.78; 90.24 | 2224.67 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
9017413 | CIF | C Ca O3 | C 1 | 12.358; 7.106; 25.741 90.43; 99.88; 90.29 | 2226.84 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
9017414 | CIF | C Ca O3 | C 1 2 1 | 12.245; 7.197; 9.305 90; 115.16; 90 | 742.224 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
9017415 | CIF | C Ca O3 | C 1 c 1 | 12.281; 7.142; 9.371 90; 115.48; 90 | 741.993 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
9017416 | CIF | Ba0.1 Ca0.6 H9.8 K1.55 Mn0.89 Nb0.1 O32.9 Si8 Ti3.9 | C 1 m 1 | 14.365; 13.887; 7.814 90; 117.36; 90 | 1384.42 | Rastsvetaeva, R. K.; Pekov, I. V.; Nekrasov, Y. V. Crystal structure and microtwinning of a calcium-rich analogue of labuntsovite Crystallography Reports, 2001, 46, 365-367 |
9017417 | CIF | Fe H O2 | C m c m | 3.072; 12.516; 3.873 90; 90; 90 | 148.914 | Zhukhlistov, A. P. Crystal structure of lepidocrocite FeO(OH) from the electron-diffractometry data Crystallography Reports, 2001, 46, 730-733 |
9017418 | CIF | C2 H Na O7 Pb2 | P 3 1 c | 5.268; 5.268; 13.48 90; 90; 120 | 323.975 | Belokoneva, E. L.; Al'-Ama A G; Dimitrova, O. V.; Kurazhkovskaya, V. S.; Stefanovich, S. Y. Synthesis and crystal structure of new carbonate NaPb2(CO3)2(OH) Crystallography Reports, 2002, 47, 217-222 |
9017419 | CIF | Al0.49 Fe0.5 K0.99 O8 Si3.01 | C 1 2/m 1 | 8.655; 13.101; 7.25 90; 116.02; 90 | 738.747 | Lebedeva, Y. S.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Kashaev, A. A.; Taroev, V. K.; Goettlicher, J.; Kroll, H.; Pentinghaus, H.; Suvorova, L. F.; Wulf-Bernodat H; Lashkevich, V. V. Synthesis and crystal structure of low ferrialuminosilicate sanidine Crystallography Reports, 2003, 48, 919-924 |
9017420 | CIF | Al0.14 Be2 Ca Fe1.176 H8 Mg0.096 Mn0.57 O17 P3 Zn0.36 | C 1 2/c 1 | 15.941; 11.877; 6.625 90; 95.09; 90 | 1249.37 | Barinova, A. V.; Rastsvetaeva, R. K.; Chukanov, N. V.; Pietraszko, A. Refinement of the crystal structure of Zn-containing greifensteinite Crystallography Reports, 2004, 49, 942-945 |
9017421 | CIF | H4 K2 O12 S2 U | P n a 21 | 13.773; 7.288; 11.556 90; 90; 90 | 1159.96 | Alekseev, E. V.; Suleimanov, E. V.; Chuprunov, E. V.; Marychev, M. O.; Ivanov, V. A.; Fukin, G. K. Crystal structure and nonlinear optical properties of the K2UO2(SO4)2*2H2O compound at 293 K Crystallography Reports, 2006, 51, 29-33 |
9017424 | CIF | Ca2 O4 Si | P 1 21/n 1 | 5.5051; 6.7551; 9.3108 90; 94.513; 90 | 345.172 | Yamnova, N. A.; Zubkova, N. V.; Eremin, N. N.; Zadov, A. E.; Gazeev, V. M. Crystal structure of larnite beta-Ca2SiO4 and specific features of polymorphic transitions in dicalcium orthosilicate Crystallography Reports, 2011, 56, 210-220 |
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 |
9017426 | CIF | Al0.32 Be0.45 Cr0.71 O2 | P 21 21 21 (a+1/4,b-1/4,c) | 4.487; 5.629; 9.732 90; 90; 90 | 245.804 | Yamnova, N. A.; Aksenov, S. M.; Pautov, L. A.; Popov, M. P.; Erokhin, Y. V. Specific features of cation distribution in the crystal structure of mariinskite BeCr2O4 (derivative of olivine-type structure) Note: Sample 1 Crystallography Reports, 2014, 59, 30-35 |
9017427 | CIF | Al0.37 Be0.45 Cr0.66 O2 | P 21 21 21 (a+1/4,b-1/4,c) | 4.478; 5.62; 9.746 90; 90; 90 | 245.271 | Yamnova, N. A.; Aksenov, S. M.; Pautov, L. A.; Popov, M. P.; Erokhin, Y. V. Specific features of cation distribution in the crystal structure of mariinskite BeCr2O4 (derivative of olivine-type structure) Note: Sample 2 Crystallography Reports, 2014, 59, 30-35 |
9017428 | CIF | Fe Se2 | P n n m | 4.804; 5.781; 3.5817 90; 90; 90 | 99.471 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 0.0 GPa Crystals, 2018, 8 |
9017429 | CIF | Fe Se2 | P n n m | 4.771; 5.756; 3.5663 90; 90; 90 | 97.937 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 1.7 GPa Crystals, 2018, 8 |
9017430 | CIF | Fe Se2 | P n n m | 4.751; 5.729; 3.5467 90; 90; 90 | 96.536 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 3.83 GPa Crystals, 2018, 8 |
9017431 | CIF | Fe Se2 | P n n m | 4.698; 5.667; 3.5088 90; 90; 90 | 93.417 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 8.1 GPa Crystals, 2018, 8 |
9017432 | CIF | Fe Se2 | P n n m | 4.603; 5.581; 3.4492 90; 90; 90 | 88.608 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 17.3 GPa Crystals, 2018, 8 |
9017433 | CIF | Fe Se2 | P n n m | 4.555; 5.524; 3.409 90; 90; 90 | 85.777 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 24.4 GPa Crystals, 2018, 8 |
9017434 | CIF | Fe Se2 | P n n m | 4.488; 5.471; 3.3734 90; 90; 90 | 82.83 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 32 GPa Crystals, 2018, 8 |
9017435 | CIF | Fe Se2 | P n n m | 4.404; 5.391; 3.3185 90; 90; 90 | 78.788 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 46 GPa Crystals, 2018, 8 |
9017436 | CIF | Fe Se2 | P n n m | 4.7885; 5.7782; 3.5821 90; 90; 90 | 99.113 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 198.2 K, P = 0.0001 GPa Crystals, 2018, 8 |
9017437 | CIF | Fe Se2 | P n n m | 4.7893; 5.7775; 3.5795 90; 90; 90 | 99.045 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 148.4 K, P = 0.0001 GPa Crystals, 2018, 8 |
9017438 | CIF | Fe Se2 | P n n m | 4.7834; 5.7767; 3.5789 90; 90; 90 | 98.893 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 50.4 K, P = 0.0001 GPa Crystals, 2018, 8 |
9017439 | CIF | Fe Se2 | P n n m | 4.751; 5.723; 3.5501 90; 90; 90 | 96.527 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 197 K, P = 3.68 GPa Crystals, 2018, 8 |
9017440 | CIF | Fe Se2 | P n n m | 4.7446; 5.772; 3.5512 90; 90; 90 | 97.253 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 116 K, P = 3.64 GPa Crystals, 2018, 8 |
9017441 | CIF | Fe H Li O5 P | P -1 | 5.3528; 7.2896; 5.1187 109.359; 97.733; 106.359 | 174.984 | Marx, N.; Croguennec, L.; Carlier, D.; Wattiaux, A.; Le Cras, F.; Suard, E.; Delmas, C. The structure of tavorite LiFePO4(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization Dalton Transactions, 2010, 39, 5108-5116 |
9017442 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.578; 12.978; 7.204 90; 116.02; 90 | 720.699 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample ORMA, X-Ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017443 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SVG1, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017444 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAGA, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017445 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANU, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017446 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample STOT, T = 650 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017447 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.544; 13.026; 7.18 90; 115.97; 90 | 718.402 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SATO, T = 750 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017448 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.545; 13.026; 7.179 90; 115.97; 90 | 718.386 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANG, T = 850 C, nuetron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017449 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.545; 13.026; 7.179 90; 115.97; 90 | 718.386 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAND, T = 850 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017450 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.545; 13.026; 7.179 90; 115.97; 90 | 718.386 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAAT, T = 1050 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017451 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SVG3, T = 950 C, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017452 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANI, T = 950 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017453 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAGT, T = 1050 C, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017454 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANN, T = 1050 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
9017455 | CIF | B2 Ca H8 O8 | P -1 | 7.774; 5.68; 8.136 113.15; 101.67; 107.87 | 292.206 | Simonov, M. A.; Kazanskaya, E. V.; Egorov-Tismenko Y K; Zhelezi, E. P.; Belov, N. V. Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2 Note: T = 18 C Doklady Akademii Nauk SSSR, 1976, 230, 91-94 |
9017456 | CIF | B2 Ca H8 O8 | P -1 | 7.745; 5.667; 8.102 113.24; 101.54; 107.92 | 289.121 | Simonov, M. A.; Kazanskaya, E. V.; Egorov-Tismenko Y K; Zhelezi, E. P.; Belov, N. V. Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2 Note: T = -140 C Doklady Akademii Nauk SSSR, 1976, 230, 91-94 |
9017457 | CIF | Ca H1.323 O4.662 S | B 1 1 2 | 12.028; 12.674; 6.927 90; 90; 90.21 | 1055.96 | Bushuev, N. N. On the structural features of CaSO4*0,5H2O and CaSO4*0,67H2O Doklady Akademii Nauk SSSR, 1980, 255, 1104-1109 |
9017458 | CIF | As2 Se3 | C 1 2/m 1 | 13.37; 3.73; 9.31 90; 95; 90 | 462.524 | Kirkinskii, V. A.; Yakushev, V. G. A new polymorphic modification of arsenic selenide obtained at high presssures Doklady Chemistry, 1968, 182, 896-898 |
9017459 | CIF | Al0.1 Be4 Ca2 Fe2.5 H16 Mg2.2 Mn0.2 O34 P6 | P -1 | 6.668; 9.879; 9.883 73.53; 85.6; 86.93 | 622.127 | Rastsvetaeva, R. K.; Barinova, A. V.; Chukanov, N. V.; Pietraszko, A. Crystal structure of a magnesium-rich triclinic analogue of greifensteinite Doklady Chemistry, 2004, 398, 191-195 |
9017460 | CIF | Ba0.03 Ca6 Cl1.62 Fe2.25 H1.662 Hf0.03 K2.295 Mn0.15 Na12.945 Nb0.03 O74.389 Si26 Sr0.3 Ti0.15 Zr2.79 | R 3 m :H | 14.2956; 14.2956; 30.0228 90; 90; 120 | 5313.57 | Rastsvetaeva, R. K.; Rozenberg, K. A.; Khomyakov, A. P. Crystal structure of high-silica K,Na-ordered acentric eudialyte analogue Doklady Chemistry, 2009, 424, 11-14 |
9017461 | CIF | Fe4.9 H0.82 Mn0.8 O38 Pb0.6 Sr0.1 Ti13.4 Y0.4 Zn1.5 | R -3 :H | 10.4359; 10.4359; 21.0471 90; 90; 120 | 1985.1 | Kastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Menezes, L. A. D. Crystal structure of almeidaite, a new mineral of the crichtonite group Doklady Chemistry, 2014, 455, 53-57 |
9017462 | CIF | Ca0.29 Ce0.18 F0.11 Fe0.19 H0.65 La0.09 Mn0.51 Na0.35 Nb0.97 Nd0.02 O6.89 Th0.37 Ti0.85 U0.04 | F d -3 m :2 | 10.2523; 10.2523; 10.2523 90; 90; 90 | 1077.62 | Chukanov, N. V.; Blass, G.; Zubkova, N. V.; Pekov, I. V.; Pushcharovskii, D. Y.; Prinz, H. Hydroxymanganopyrochlore: A new mineral from the Eifel volcanic region, Germany Doklady Earth Sciences, 2013, 449, 342-345 |
9017463 | CIF | As0.79 Cr Cu H O9 P0.21 Pb2 | P 1 21/c 1 | 8.09015; 5.90913; 17.4839 90; 109.99; 90 | 785.474 | Ksenofontov, D. A.; Kabalov, Y. K.; Pekov, I. V.; Zubkova, N. V.; Ekimenkova, I. A.; Pushcharovskii, D. Y. Refinement of the crystal structure of fornacite using the Rietveld method Doklady Earth Sciences, 2014, 456, 520-523 |
9017464 | CIF | Ba Cu O6 Si2 | I 41/a c d :2 | 9.97511; 9.97511; 22.2887 90; 90; 90 | 2217.79 | Chen, Y.; Zhang, Y.; Feng, S. Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7 Dyes and Pigments, 2014, 105, 167-173 |
9017465 | CIF | Ba Cu2 O7 Si2 | P n m a | 6.86317; 13.1773; 6.86317 90; 90; 90 | 620.692 | Chen, Y.; Zhang, Y.; Feng, S. Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7 Dyes and Pigments, 2014, 105, 167-173 |
9017466 | CIF | Be2 O4 Si | R -3 :H | 12.485; 12.485; 8.264 90; 90; 120 | 1115.57 | Tsirelson, V. G.; Sokolova, Y. V.; Urusov, V. S. An X-ray diffraction study of the electron-density distribution and electrostatic potential in phenakite Be2SiO4 Geochemistry International, 1987, 24, 101-110 |
9017467 | CIF | Al3.82 Fe1.39 K0.06 Mg0.85 Na0.03 O18 Si4.94 | P 6/m c c | 9.8759; 9.8759; 9.3102 90; 90; 120 | 786.399 | Chukanov, N. V.; Aksenov, S. M.; Pekov, I. V.; Ternes, B.; Schuller, W.; Belakovskiy, D. I.; Van, K. V.; Blass, G. Ferroindialite (Fe2+,Mg)2Al4Si5O18, a new beryl-group mineral from the Eifel volcanic region, Germany Geology of Ore Deposits, 2014, 56, 637-643 |
9017468 | CIF | H11 Na1.43 Nb1.56 O22 Si4 Ti1.395 Zn1.2 | P -1 | 8.975; 8.979; 12.135 74.328; 80.651; 73.959 | 900.819 | Pekov, I. V.; Lykova, I. S.; Chukanov, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Zolotarev, A. A.; Zubkova, N. V. Zvyaginite, NaZnNb2Ti[Si2O7]2O(OH,F)3(H2O)4+x(x<1), a new mineral of the epistolite group from the Lovozero alkaline pluton, Kola Peninsula, Russia Geology of Ore Deposits, 2014, 56, 644-656 |
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 |
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 |
9017471 | CIF | B | P 42/n n m :1 | 8.708; 8.708; 5.075 90; 90; 90 | 384.834 | Parakhonskiy, G.; Dubrovinskaia, N.; Bykova, E.; Wirth, R.; Dubrovinsky, L. High pressure synthesis and investigation of single crystals of metastable boron phases Note: alpha-tetragonal phase High Pressure Research, 2013, 33, 673-683 |
9017472 | CIF | B | R -3 m :H | 5.594; 5.594; 12.0756 90; 90; 120 | 327.253 | Parakhonskiy, G.; Dubrovinskaia, N.; Bykova, E.; Wirth, R.; Dubrovinsky, L. High pressure synthesis and investigation of single crystals of metastable boron phases Note: epsilon-trigonal phase High Pressure Research, 2013, 33, 673-683 |
9017473 | CIF | Fe3 H28 O30 S4 | P -1 | 6.319; 6.4521; 15.3158 85.855; 89.828; 79.065 | 611.46 | Mereiter, K. Experimental crystal structure determination ICSD Communications, 2018, 2018 |
9017474 | CIF | Fe H7 O8 S | P -1 | 6.6548; 8.9204; 11.6053 97.26; 95.634; 90.383 | 679.979 | Mereiter, K. Experimental crystal structure determination Note: T = 296 K ICSD Communications, 2018, 2018 |
9017475 | CIF | Fe H7 O8 S | P -1 | 6.6278; 8.8605; 11.579 97.564; 95.709; 90.355 | 670.595 | Mereiter, K. Experimental crystal structure determination Note: T = 100 K ICSD Communications, 2018, 2018 |
9017476 | CIF | Fe2 H22 O23 S3 | P -1 | 6.18; 23.583; 6.54 94.14; 101.68; 96.35 | 923.305 | Mereiter, K. Experimental crystal structure determination ICSD Communications, 2020, 2020 |
9017477 | CIF | As2 Cu4 O9 | P n m a | 8.253; 6.4122; 13.789 90; 90; 90 | 729.712 | Adams, R. D.; Layland, R.; Payen, C. Cu4(AsO4)2(O): A new copper arsenate with unusual low temperature magnetic properties Inorganic Chemistry, 1995, 34, 5397-5398 |
9017478 | CIF | As2 Te3 | C 1 2/m 1 | 14.337; 4.015; 9.887 90; 95.06; 90 | 566.908 | Morin, C.; Corallini, S.; Carreaud, J.; Vaney, J. B.; Delaizir, G.; Crivello, J. C.; Lopes, E. B.; Piarristeguy, A.; Monnier, J.; Candolfi, C.; Nassif, V.; Cuello, G. J.; Pradel, A.; Goncalves, A. P.; Lenoir, B.; Alleno, E. Polymorphism in thermoelectric As2Te3 Note: T = 300 K Inorganic Chemistry, 2015, 54, 9936-9947 |
9017479 | CIF | C3 H9.3 Ce O10.65 | P 1 21/c 1 | 11.347; 9.63; 10.392 90; 114.52; 90 | 1033.14 | Ollendorff, W.; Weigel, F. The crystal structure of some lanthanide oxalate decahydrates, Ln2(C2O4)3*10H2O, with Ln = La, Ce, Pr, and Nd Inorganic and Nuclear Chemistry Letters, 1969, 5, 263-269 |
9017480 | CIF | Br3 Fe K | P n m a | 8.712; 3.845; 14.15 90; 90; 90 | 473.992 | Amit, A.; Horowitz, A.; Makovsky, J. Preparation and crystal structure of KFeCl3 and KFeBr3 Israel Journal of Chemistry, 1974, 12, 827-830 |
9017481 | CIF | As2 Te3 | C 1 2/m 1 | 14.364; 4.025; 9.889 90; 95.14; 90 | 569.434 | Kanischeva, A. S.; Mikhailov, Y. N.; Chernov, A. P. Crystal structure of arsenic telluride As2Te3 Izvestiya Akademii Nauk SSSR Neorganicheskie Materialy, 1982, 18, 949-952 |
9017482 | CIF | Ba3 O8 V2 | R -3 m :H | 5.7811; 5.7811; 21.2886 90; 90; 120 | 616.167 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 0 Journal of Alloys and Compounds, 2010, 498, 42-51 |
9017483 | CIF | Ba2.5 O8 Sr0.5 V2 | R -3 m :H | 5.7617; 5.7617; 21.1048 90; 90; 120 | 606.755 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 0.5 Journal of Alloys and Compounds, 2010, 498, 42-51 |
9017484 | CIF | Ba2 O8 Sr V2 | R -3 m :H | 5.7362; 5.7362; 20.9041 90; 90; 120 | 595.677 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 1 Journal of Alloys and Compounds, 2010, 498, 42-51 |
9017485 | CIF | Ba1.5 O8 Sr1.5 V2 | R -3 m :H | 5.7084; 5.7084; 20.6912 90; 90; 120 | 583.909 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 1.5 Journal of Alloys and Compounds, 2010, 498, 42-51 |
9017486 | CIF | Ba O8 Sr2 V2 | R -3 m :H | 5.6792; 5.6792; 20.4821 90; 90; 120 | 572.11 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 2 Journal of Alloys and Compounds, 2010, 498, 42-51 |
9017487 | CIF | Ba0.5 O8 Sr2.5 V2 | R -3 m :H | 5.6498; 5.6498; 20.2789 90; 90; 120 | 560.585 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 2.5 Journal of Alloys and Compounds, 2010, 498, 42-51 |
9017488 | CIF | O8 Sr3 V2 | R -3 m :H | 5.6214; 5.6214; 20.0997 90; 90; 120 | 550.059 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 3 Journal of Alloys and Compounds, 2010, 498, 42-51 |
9017489 | CIF | Fe2.668 O4 | P 43 3 2 | 8.3474; 8.3474; 8.3474 90; 90; 90 | 581.639 | Shmakov, A. N.; Kryukova, G. N.; Tsybulya, S. V.; Chuvilin, A. L.; Solovyeva, L. P. Vacancy ordering in gamma-Fe2O3: synchrotron x-ray powder diffraction and high- resolution electron microscopy studies Journal of Applied Crystallography, 1995, 28, 141-145 |
9017490 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.764; 10.229; 5.996 90; 90; 90 | 292.191 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: for calculation of powder patterns Journal of Applied Crystallography, 2001, 34, 271-279 |
9017491 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.7645; 10.23467; 5.99727 90; 90; 90 | 292.445 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional Rietveld refinement on the whole data set Journal of Applied Crystallography, 2001, 34, 271-279 |
9017492 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.762; 10.235; 5.998 90; 90; 90 | 292.337 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional refinement on single-crystal data Journal of Applied Crystallography, 2001, 34, 271-279 |
9017493 | CIF | Fe2.645 O3.99 | P 43 3 2 | 8.3364; 8.3364; 8.3364 90; 90; 90 | 579.343 | Solano, E.; Frontera, C.; Puig, T.; Obradors, X.; Ricart, S.; Ros, J. Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography, 2014, 47, 414-420 |
9017494 | CIF | Sn | F m -3 m | 5.8197; 5.8197; 5.8197 90; 90; 90 | 197.107 | Straumanis, M. E. The precision determination of lattice constants by the powder and rotation crystal methods and applications Sample: at T = 25 C Journal of Applied Physics, 1949, 20, 726-734 |
9017495 | CIF | Bi | P 63/m m c | 4.53674; 4.53674; 5.19983 90; 90; 120 | 92.685 | Straumanis, M. E. The precision determination of lattice constants by the powder and rotation crystal methods and applications Sample: at T = 25 C Journal of Applied Physics, 1949, 20, 726-734 |
9017496 | CIF | F | P m -3 n | 6.67; 6.67; 6.67 90; 90; 90 | 296.741 | Jordan, T. H.; Streib, W. E.; Lipscomb, W. N. Single-crystal X-ray diffraction study of beta-fluorine Note: T = 50 K Note: beta phase, stable between T = 45.55 K & 53.54 K Journal of Chemical Physics, 1964, 41, 760-764 |
9017497 | CIF | C2 Cl3 Cu N | I 1 2/a 1 | 12.09; 8.63; 14.49 90; 97.5; 90 | 1498.91 | Willett, R. D. Crystal structure and optical properties of (CH3)2NH2CuCl3 Journal of Chemical Physics, 1966, 44, 39-42 |
9017498 | CIF | O2 | P 63/m m c | 2.561; 2.561; 6.575 90; 90; 120 | 37.346 | Lundegaard, L. F.; Guillaume, C.; McMahon, M. I.; Gregoryanz, E.; Merlini, M. On the structure of high-pressure high-temperature eta-O2 Journal of Chemical Physics, 2009, 130 |
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 |
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 |
9017501 | CIF | Cl0.94 H4 Na7 O20.06 S4 U | C 1 2/c 1 | 21.1507; 5.3469; 34.6711 90; 104.913; 90 | 3788.91 | Plasil, J.; Kampf, A. R.; Kasatkin, A. V.; Marty, J. Bluelizardite, Na7(UO2)(SO4)4Cl(H2O)2, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA Journal of Geosciences, 2014, 59, 145-158 |
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