Crystallography Open Database

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COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
9015030 CIFAl7.191 B3 Ca0.51 F0.752 Fe0.027 H3.248 Li1.359 Mn0.423 Na0.408 O30.248 Pb0.026 Si6R 3 m :H15.853; 15.853; 7.12
90; 90; 120
1549.65Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L12, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015031 CIFDy0.03 Er0.05 Gd0.02 H2 O4 Si0.73 Y0.78 Yb0.12I -4 2 d6.947; 6.947; 6.133
90; 90; 90
295.984Malcherek, T.; Mihailova, B.; Schluter, J.; Husdal, T.
Atelisite-(Y), a new rare earth defect silicate of the KDP structure type
European Journal of Mineralogy, 2012, 24, 1053-1060
9015032 CIFFe O3 SiP -16.628; 7.467; 22.607
115.32; 80.56; 95.49
997.26Weber, H. P.
Ferrosilite III, the high-temperature polymorph of FeSiO3
Acta Crystallographica, Section C, 1983, 39, 1-3
9015033 CIFLa O6 Ta TiP n m a10.942; 7.5831; 5.4614
90; 90; 90
453.156Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.
Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide
Solid State Sciences, 2010, 12, 1263-1269
9015034 CIFC0.2 H2.912 Al0.4 O3.056 Zn0.6R -3 m :H3.06616; 3.06616; 22.6164
90; 90; 120
184.138Lozano, R. P.; Rossi, C.; La Iglesia, A.; Matesanz, E.
Zaccagnaite-3R, a new Zn-Al hydrotalcite polytype from El Soplao cave (Cantabria, Spain) Note: polytype zaccagnaite-3R
American Mineralogist, 2012, 97, 513-523
9015035 CIFAl7.239 B3 Ca0.487 F0.709 Fe0.111 H3.291 Li1.287 Mn0.363 Na0.435 O30.291 Pb0.022 Si6 Ti0.003R 3 m :H15.8636; 15.8636; 7.1119
90; 90; 120
1549.96Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L1, ordered model
The Canadian Mineralogist, 2011, 49, 63-88
9015037 CIFFe1.4 Mn0.6 O4 SiP b n m4.84857; 10.55545; 6.14054
90; 90; 90
314.266Redfern, S. A. T.; Knight, K. S.; Henderson, C. M. B.; Wood, B. J.
Fe-Mn cation ordering in fayalite-tephroite (FexMn1-x)2SiO4 olivines: A neutron diffraction study
Mineralogical Magazine, 1998, 62, 607-615
9015039 CIFAl6.56 Ca2.44 Fe12 Mg0.44 Mn12.2 Na15.13 O120 P30P 1 c 113.4517; 12.5266; 26.6765
90; 101.582; 90
4403.57Tait, K. T.; Ercit, T. S.; Abdu, Y. A.; Cerny, P.; Hawthorne, F. C.
The crystal structure and crystal chemistry of manitobaite, ideally (Na16_)Mn2+25Al8(PO4)30, from Cross Lake, Manitoba Note: green sample
The Canadian Mineralogist, 2011, 49, 1221-1242
9015040 CIFAs3 Fe4 O21P -4 3 m7.98; 7.98; 7.98
90; 90; 90
508.17Mills, S. J.; Hager, S. L.; Leverett, P.; Williams, P. A.; Raudsepp, M.
The structure of H3O+ - exchanged pharmacosiderite
Mineralogical Magazine, 2010, 74, 487-492
9015042 CIFH14 O14 S Zn4P -38.33; 8.33; 10.54
90; 90; 120
633.375Groat, L. A.
The crystal structure of namuwite, a mineral with Zn in tetrahedral and octahedral coordination, and its relationship to the synthetic basic zinc sulfates Note: U(1,2) for S has been changed to match symmetry constraints.
American Mineralogist, 1996, 81, 238-243
9015045 CIFH2 OR -3 :R7.78; 7.78; 7.78
113.1; 113.1; 113.1
304.25Kamb, B.
Ice II: A proton-ordered form of ice Note: T = -75 C, P = 0.3 GPa
Acta Crystallographica, 1964, 17, 1437-1449
9015046 CIFBa O9 Si3 TiP -6 c 26.6031; 6.6031; 9.71
90; 90; 120
366.645Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V.
Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 2.14 GPa
American Mineralogist, 2012, 97, 1749-1763
9015048 CIFAg4.5 Bi7.4 Pb0.6 S16 Sb1.5C 1 2/m 113.515; 4.098; 26
90; 93; 90
1438.02Ilinca, G.; Makovicky, E.
Note on the definition of borodayevite [Ag5(Fe,Pb)Bi7]13(Sb,Bi)2S17 Note: This structure is based on a theoretical construct, (11P), and is probably not an good model for borodayevite
Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 337-353
9015050 CIFBe OP 63 m c2.705; 2.705; 4.3927
90; 90; 120
27.835Hazen, R. M.; Finger, L. W.
High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 763 K
Journal of Applied Physics, 1986, 59, 3728-3733
9015051 CIFAl1.46 Fe0.537 Mg1.002 O4F d -3 m :28.1698; 8.1698; 8.1698
90; 90; 90
545.298Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 35,340 min
European Journal of Mineralogy, 2012, 24, 633-643
9015053 CIFCu1.894 H8 O11 Pb1.934 S1.15 Se0.85P 1 21/m 19.802; 5.675; 9.281
90; 102.443; 90
504.141Kampf, A. R.; Mills, S. J.; Housley, R. M.
The crystal structure of munakataite, Pb2Cu2(Se4+O3)(SO4)(OH)4, from Otto Mountain, San Bernardino County, California, USA
Mineralogical Magazine, 2010, 74, 991-998
9015054 CIFCa O3 SnP b n m5.4538; 5.6162; 7.8006
90; 90; 90
238.93Zhao, J.; Ross, N. L.; Angel, R. J.
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 5.18 GPa
Physics and Chemistry of Minerals, 2004, 31, 299-305
9015055 CIFAl3 H O13 Pb2 Si3P n m a16.4529; 5.6432; 10.3631
90; 90; 90
962.183Dorsam, G.; Liebscher, A.; Wunder, B.; Franz, G.; Gottschalk, M.
Synthesis of Pb-zoisite and Pb-lawsonite
Neues Jahrbuch fur Mineralogie, Abhandlungen, 2011, 188, 99-110
9015056 CIFC Fe O3R -3 c :H4.355; 4.355; 12.54
90; 90; 120
205.97Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P25, P = 54.0 GPa
Physical Review B, 2010, 82, 064110-064118
9015059 CIFFe O2P 110.821; 6.002; 10.514
90; 92.6; 90
682.157Fernandez-Martinez A; Timon, V.; Roman-Ross G; Cuello, G. J.; Daniels, J. E.; Ayora, C.
The structure of schwertmannite, a nanocrystalline iron oxyhydroxysulfate Note: Model 1, positions of sulfate groups not determined
American Mineralogist, 2010, 95, 1312-1322

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