Crystallography Open Database
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Searching year of publication is 2012
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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9016903 | CIF | Al1.12 Ba0.01 Cr0.02 F0.02 Fe0.4 H1.24 K0.93 Mg2.23 Na0.04 O11.74 Si2.91 Ti0.32 | C 1 2/c 1 | 5.3252; 9.2246; 20.1908 90; 95.086; 90 | 987.924 | Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E. Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_6 American Mineralogist, 2012, 97, 430-439 |
9016904 | CIF | Al1.09 Ba0.01 F0.02 Fe0.58 H K0.94 Mg2 Na0.04 O11.98 Si2.93 Ti0.4 | C 1 2/c 1 | 5.3283; 9.2304; 20.1565 90; 95.131; 90 | 987.371 | Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E. Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_10 American Mineralogist, 2012, 97, 430-439 |
9016905 | CIF | Al1.1 Ba0.01 Ca0.01 Fe0.55 K0.91 Mg2 Na0.04 O11.98 Si2.96 Ti0.38 | C 1 2/c 1 | 5.3307; 9.2315; 20.155 90; 95.095; 90 | 987.916 | Scordari, F.; Schingaro, E.; Lacalamita, M.; Mesto, E. Crystal chemistry of trioctahedral micas-2M_1 from Bunyaruguru kamafugite (southwest Uganda) Note: BU3_12 American Mineralogist, 2012, 97, 430-439 |
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 |
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 |
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 |
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 |
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 |
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 |
9017535 | CIF | Ca O3 Si | C 1 2/c 1 | 6.83556; 11.86962; 19.6255 90; 90.6805; 90 | 1592.21 | Seryotkin, Y. V.; Sokol, E. V.; Kokh, S. N. Natural pseudowollastonite: Crystal structure, associated minerals, and geological context Lithos, 2012, 75-90 |
9017577 | CIF | Al2.55 As1.64 Fe0.45 H7 O14 Pb S0.36 | R -3 m :H | 7.1142; 7.1142; 17.0973 90; 90; 120 | 749.394 | Cooper, M. A.; Hawthorne, F. C. Refinement of the crystal structure of zoned philipsbornite-hidalgoite from the Tsumeb mine, Namibia, and hydrogen bonding in the D2+G3+3(T5+O4)(TO3OH)(OH)6 alunite structures Mineralogical Magazine, 2012, 76, 839-849 |
9017578 | CIF | Fe Ge H6 O6 | P 42/n :2 | 7.552; 7.552; 7.4694 90; 90; 90 | 426 | Kleppe, A. K.; Welch, M. D.; Crichton, W. A.; Jephcoat, A. P. Phase transitions in hydroxide perovskites: a Raman spectroscopic study of stottite, FeGe(OH)6, to 21 GPa Mineralogical Magazine, 2012, 76, 949-962 |
9017579 | CIF | Fe Ge H6 O6 | P 1 2/n 1 | 7.5509; 7.4695; 7.5531 90; 90.005; 90 | 426.006 | Kleppe, A. K.; Welch, M. D.; Crichton, W. A.; Jephcoat, A. P. Phase transitions in hydroxide perovskites: a Raman spectroscopic study of stottite, FeGe(OH)6, to 21 GPa Note: this is the preferred structure Mineralogical Magazine, 2012, 76, 949-962 |
9017580 | CIF | Al2.85 As1.86 Fe0.15 H6 La O14 P0.14 | R -3 m :H | 7.0147; 7.0147; 16.4461 90; 90; 120 | 700.829 | Mills, S. J.; Nestola, F. Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 1.6 GPa Mineralogical Magazine, 2012, 76, 975-985 |
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