Crystallography Open Database
Search results
Result: there are 512995 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Displaying all data in COD
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9016624 | CIF | Ba O3 Ti | R 3 m :R | 4.0042; 4.0042; 4.0042 89.836; 89.836; 89.836 | 64.201 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 100 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016625 | CIF | Mg1.88 O4 Si0.97 | F d -3 m :2 | 8.0947; 8.0947; 8.0947 90; 90; 90 | 530.398 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 635 K, split Si model American Mineralogist, 2012, 97, 573-582 |
| 9016626 | CIF | Fe H10 N O11 S2 | P 1 21/c 1 | 9.982; 10.156; 9.504 90; 94.95; 90 | 959.895 | Palmer, K. J.; Wong, R. Y.; Lee, K. S. The crystal structure of ferric ammonium sulfate trihydrate, FeNH4(SO4)2*3H2O Note: y-coordinate of O10 altered to reproduce reported bond lengths Acta Crystallographica, Section B, 1972, 28, 236-241 |
| 9016627 | CIF | Cl Cu2 D3 O3 | P 1 21/n 1 | 6.15175; 6.81606; 9.10541 90; 99.8394; 90 | 376.18 | Wills, A. S.; Henry, J. Y. On the crystal and magnetic ordering structures of clinoatacamite, gamma-Cu2(OD)3Cl, a proposed valence bond solid Journal of Physics: Condensed Matter, 2008, 20, 472206-472208 |
| 9016628 | CIF | Ca2 Fe2 O5 | P n m a | 5.3744; 14.6175; 5.5526 90; 90; 90 | 436.214 | Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F. The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 3.863 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9016629 | CIF | Cl10 Cu4 K4 O | C 1 2/c 1 | 14.74; 14.9; 8.948 90; 104.79; 90 | 1900.1 | Semenova, T. F.; Rozhdestvenskaya, I. V.; Filatov, S. K.; Verasova, L. P. Crystal structure of a new mineral ponomarevite, K4Cu4OCl10 Doklady Akademii Nauk SSSR, 1989, 304, 427-430 |
| 9016631 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7538; 4.7538; 9.2193 90; 90; 90 | 208.343 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim23_q1, treated at 750 C for 130 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016632 | CIF | Ca1.78 Fe1.72 H2 Mg3.5 Na1.06 O24 Si8 | C 1 2/m 1 | 9.62; 17.717; 5.216 90; 106.18; 90 | 853.79 | Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S. The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 6.35 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9016633 | CIF | H1.333 Mg1.333 O5 S | I 41/a m d :2 | 5.242; 5.242; 12.995 90; 90; 90 | 357.084 | Keefer, K. D.; Hochella, Jr, M. F.; de Jong, B. H. W. S. The structure of the magnesium hydroxide sulfate hydrate MgSO4.1/3Mg(OH)2.1/3H2O Acta Crystallographica, Section B, 1981, 37, 1003-1006 |
| 9016634 | CIF | Al0.5 Nb0.5 O2 | C 1 2/m 1 | 12.1545; 3.735; 6.4884 90; 107.62; 90 | 280.735 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N00 American Mineralogist, 2012, 97, 910-917 |
| 9016635 | CIF | Fe | F m -3 m | 3.495; 3.495; 3.495 90; 90; 90 | 42.692 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 19.82 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016636 | CIF | Al8.262 B3.762 Ca0.3 F0.15 H5.7 Li0.738 Na0.42 O30.85 Si5.238 | R 3 m :H | 15.7395; 15.7395; 7.0656 90; 90; 120 | 1515.87 | Ertl, A.; Pertlik, F.; Bernhardt, H. J. Investigations on olenite with exess boron from Koralpe, Styria, Austria Anzeiger der Osterreichische Akademie der Wissenschaften, 1997, 134, 3-10 |
| 9016637 | CIF | C4 H0.19 Ba Ca0.39 Ce0.66 F0.75 La0.7 Na0.61 Nd0.12 O12.19 Pr0.04 Sr0.46 | P 63/m m c | 5.1196; 5.1196; 23.1784 90; 90; 120 | 526.122 | Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Konev, A. A.; Koneva, A. A.; Raudsepp, M. Cordylite-(La), a new mineral species in fenite from the Biraya Fe-REE deposit, Irkutsk, Russia Note: crystal 2 The Canadian Mineralogist, 2012, 50, 1281-1290 |
| 9016638 | CIF | Ba O3 Ti | A m m 2 | 3.9874; 5.6751; 5.6901 90; 90; 90 | 128.761 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 270 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016639 | CIF | As Fe S | P 1 21/c 1 | 5.7612; 5.6841; 5.7674 90; 111.721; 90 | 175.456 | Bindi, L.; Moelo, Y.; Leone, P.; Suchaud, M. Stoichiometric arsenopyrite, FeAsS, from La Roche-Balue Quarry, Loire-Atlantique, France: Crystal structure and Mossbauer study The Canadian Mineralogist, 2012, 50, 471-479 |
| 9016640 | CIF | C Fe O3 | R -3 c :H | 4.676; 4.676; 15.31 90; 90; 120 | 289.904 | Lavina, 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 P1, P = 1.89 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016645 | CIF | Ca2 F H3 O5 Si | P -1 | 10.999; 8.176; 5.6678 94.24; 89; 90.18 | 508.22 | Biagioni, C.; Bonaccorsi, E.; Merlino, S. Crystal structure of bultfonteinite, Ca4[SiO3(OH)]2F2*2H2O, from N'chwaning II mine (Kalahari Manganese Field, Republic of South Africa) Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A, 2010, 115, 9-15 |
| 9016646 | CIF | Al H3 O3 | P 1 21/n 1 | 5.0626; 8.6719; 9.4254 90; 90.26; 90 | 413.793 | Zigan, F.; Joswig, W.; Burger, N. Die wasserstoffpositionen im bayerit, Al(OH)3 Note: T = 4 K Zeitschrift fur Kristallographie, 1978, 148, 255-273 |
| 9016648 | CIF | Fe | F m -3 m | 3.484; 3.484; 3.484 90; 90; 90 | 42.29 | Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y. Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M622, P = 22.34 GPa, T = 1073 K American Mineralogist, 2012, 97, 1417-1420 |
| 9016649 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7561; 4.7561; 9.288 90; 90; 90 | 210.099 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9016650 | CIF | Al0.09 Cu0.27 Fe1.98 H6 O14 Pb S2 Zn0.75 | R -3 m :H | 7.3028; 7.3028; 17.0517 90; 90; 120 | 787.548 | Sato, E.; Nakai, I.; Terada, Y.; Tsutsumi, Y.; Yokoyama, K.; Miyawaki, R.; Matsubara, S. Study of Zn-bearing beaverite Pb(Fe2Zn)(SO4)2(OH)6 obtained from Mikawa mine, Niigata Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2008, 103, 141-144 |
| 9016652 | CIF | C H Dy O4 | P 21 21 21 | 6.9813; 4.8336; 8.4449 90; 90; 90 | 284.972 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016653 | CIF | Al0.32 B3.06 Fe6.82 H3.3 K0.26 Mg1.85 Na0.79 O31 Si5.94 V0.01 | R 3 m :H | 16.186; 16.186; 7.444 90; 90; 120 | 1688.95 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Povondraite 144478 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016654 | CIF | As2 Pt | P a -3 | 5.9665; 5.9665; 5.9665 90; 90; 90 | 212.402 | Furuseth, S.; Selte, K.; Kjekshus, A. On the solid solubility and structural properties of PdAs2-xSbx, PtP2-xAsx, PtP2-xSbx, PtP2-xBix, PtAs2-xSbx, PtAs2-xBix, PtSb2-xBix, Pdl-mPtmAs2, Pdl-mPtmSb2, Pdl-mAumSb2, and Ptl-mAumSb2 Acta Chemica Scandinavica, 1967, 21, 527-536 |
| 9016655 | CIF | As0.67 Cu3 S4 Sb0.33 | I -4 2 m | 5.315; 5.315; 10.536 90; 90; 90 | 297.634 | Pfitzner, A.; Bernert, T. The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures Sample: Cu3As0.7Sb0.3S4 Zeitschrift fur Kristallographie, 2004, 219, 20-26 |
| 9016656 | CIF | Ca0.18 H2 K0.208 Mg2.305 Mn2.915 Na2.344 O24 Si8 | C 1 2/m 1 | 9.9024; 18.1117; 5.2992 90; 104.034; 90 | 922.04 | Barkley, M. C.; Yang, H.; Downs, R. T. Kozulite, a Mn-rich alkali amphibole Acta Crystallographica, Section E, 2010, 66, i83-i83 |
| 9016657 | CIF | La0.2 Nb2 O6 Sr0.8 | P n m a | 11.042; 7.665; 5.584 90; 90; 90 | 472.613 | Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M. Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd] Materials Research Bulletin, 1994, 29, 743-749 |
| 9016658 | CIF | Mg1.96 O4 Si | F d -3 m :2 | 8.0746; 8.0746; 8.0746 90; 90; 90 | 526.457 | Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J. Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 143 K American Mineralogist, 2012, 97, 573-582 |
| 9016659 | CIF | Al0.11 Ca8.76 F Fe0.17 Mg0.72 Na0.24 O27 P7 | R 3 c :H | 10.3224; 10.3224; 37.07 90; 90; 120 | 3420.7 | Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H. Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds Sample number R050109 The Canadian Mineralogist, 2011, 49, 1065-1078 |
| 9016662 | CIF | Ag4 Mn S6 Sb2 | P 1 21/n 1 | 10.31; 8.07; 6.62 90; 92.68; 90 | 550.193 | Hruskova, J.; Synecek, V. The crystal structure of samsonite, 2 Ag2S*MnS*Sb2S3 Acta Crystallographica, Section B, 1969, 25, 1004-1006 |
| 9016663 | CIF | Ca9.45 Fe0.22 Mg0.78 O28 P7 | R 3 c :H | 10.362; 10.362; 37.106 90; 90; 120 | 3450.34 | Dowty, E. Phosphate in Angra Dos Reis: Structure and composition of the Ca3(PO4)2 minerals Earth and Planetary Science Letters, 1977, 35, 347-351 |
| 9016664 | CIF | H30 Na3 O43 V10 | P 1 21/n 1 | 12.0248; 17.121; 18.14 90; 106.242; 90 | 3585.55 | Kampf, A. R.; Hughes, J. M.; Marty, J.; Gunter, M. E.; Nash, B. Rakovanite, Na3{H3[V10O28]}*15H2O, a new member of the pascoite family with a protonated decavanadate polyanion The Canadian Mineralogist, 2011, 49, 595-604 |
| 9016665 | CIF | Ca4.64 F3 Mn0.45 Na1.62 O15 Si4 Zr1.29 | P -1 | 10.973; 10.306; 7.367 90.03; 109.63; 90.11 | 784.696 | Bellezza, M.; Merlino, S.; Perchiazzi, N. Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain I The Canadian Mineralogist, 2012, 50, 531-548 |
| 9016666 | CIF | H2.3 Mg5 O10 Si2 | P 21/b 1 1 | 4.752; 10.35; 7.914 108.71; 90; 90 | 368.666 | Yamamoto, K. The crystal structure of hydroxyl-chondrodite Acta Crystallographica, Section B, 1977, 33, 1481-1485 |
| 9016667 | CIF | Mn O2 | I 4/m | 9.815; 9.815; 2.847 90; 90; 90 | 274.264 | Kondrashev, Y. D.; Zaslavskii, A. I. The structure of the modifications of manganese oxide Izvestiya Akademii Nauk SSSR, 1951, 15, 179-186 |
| 9016668 | CIF | Cu1.84 S | F m -3 m | 5.582; 5.582; 5.582 90; 90; 90 | 173.928 | Yamamoto, K.; Kashida, S. X-ray study of the average structures of Cu2Se and Cu1.8S in the room temperature and the high temperature phases Note: Sample: Cu1.8S (high), T = 393 K Journal of Solid State Chemistry, 1991, 93, 202-211 |
| 9016669 | CIF | H12 Mg3.864 O22 Si6 | P n c n | 13.3638; 27.0034; 5.2716 90; 90; 90 | 1902.35 | Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G Variability in sepiolite: Diffraction studies Note: Sample GRA25 Note: T = 25 C American Mineralogist, 2011, 96, 1443-1454 |
| 9016670 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.784; 9.1338; 5.1924 90; 101.753; 90 | 454.291 | Redhammer, G. J.; Senyshyn, A.; Tippelt, G.; Pietzonka, C.; Treutmann, W.; Roth, G.; Amthauer, G. Magnetic and low-temperature structural behavior of clinopyroxene-type FeGeO3: A neutron diffraction, magnetic susceptibility, and Fe Mossbauer study T = 15 K American Mineralogist, 2012, 97, 694-706 |
| 9016672 | CIF | F1.54 Fe0.07 H0.46 Mg4.93 O8.46 Si2 | P 21/b 1 1 | 4.7204; 10.236; 7.8252 109.11; 90; 90 | 357.262 | Berry, A. J.; James, M. Refinement of hydrogen positions in natural chondrodite by powder neutron diffraction: implications for the stability of humite minerals Mineralogical Magazine, 2002, 66, 441-449 |
| 9016673 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4893; 11.4893; 11.4893 90; 90; 90 | 1516.63 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 622.9 K American Mineralogist, 2011, 96, 1593-1605 |
| 9016674 | CIF | Al1.94 Ca3 F1.2 Fe0.06 H2.64 O10.8 Si2.04 | I a -3 d | 12.037; 12.037; 12.037 90; 90; 90 | 1744.03 | Chakhmouradian, A. R.; Cooper, M. A.; Medici, L.; Hawthorne, F. C.; Adar, F. Fluorine-rich hibschite from silicocarbonatite, Afrikanda Complex, Russia: Crystal chemistry and conditions of crystallization The Canadian Mineralogist, 2008, 46, 1033-1042 |
| 9016675 | CIF | C Fe3 | P b n m | 4.525; 5.088; 6.74 90; 90; 90 | 155.176 | Lyashchenko, B. G.; Sorokin, L. M. Determination of the position of carbon in cementite by the neutron diffraction method Soviet Physics Crystallography, 1963, 8, 300-304 |
| 9016676 | CIF | Al1.46 Fe0.541 Mg1.001 O4 | F d -3 m :2 | 8.1708; 8.1708; 8.1708 90; 90; 90 | 545.499 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 240 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016677 | CIF | C Fe2.7 Mn0.3 | P n m a | 5.0598; 6.7462; 4.5074 90; 90; 90 | 153.857 | Fasiska, E. J.; Jeffery, G. A. On the cementite structure Acta Crystallographica, 1965, 19, 463-471 |
| 9016678 | CIF | H12 Li2 O20 Se2 U3 | P 1 21/c 1 | 7.5213; 7.0071; 17.3282 90; 98.834; 90 | 902.406 | Wylie, E. M.; Burns, P. C. Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 5 The Canadian Mineralogist, 2012, 50, 147-157 |
| 9016679 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.5023; 11.5023; 11.5023 90; 90; 90 | 1521.79 | Nakatsuka, A.; Shimokawa, M.; Nakayama, N.; Ohtaka, O.; Arima, H.; Okube, M.; Yoshiasa, A. Static disorders of atoms and experimental determination of Debye temperature in pyrope: Low- and high-temperature single-crystal X-ray diffraction study Note: T = 723.0 K American Mineralogist, 2011, 96, 1593-1605 |
| 9016680 | CIF | Al1.356 Ca1.09 Ce0.42 Fe1.134 H La0.49 Mg0.05 Mn0.29 O13 Si3 Ti0.17 | P 1 21/m 1 | 8.938; 5.789; 10.153 90; 114.54; 90 | 477.884 | Kolitsch, U.; Mills, S. J.; Miyawaki, R.; Blass, G. Ferriallanite-(La), a new member of the epidote supergroup from the Eifel, Germany European Journal of Mineralogy, 2012, 24, 741-747 |
| 9016681 | CIF | Fe5 Si3 | P 63/m c m | 6.6752; 6.6752; 4.649 90; 90; 120 | 179.398 | Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A. Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 11 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9016684 | CIF | C2 Ca K2 O6 | R -3 m :H | 5.3822; 5.3822; 18.156 90; 90; 120 | 455.481 | Effenberger, H.; Langhof, H. On the aplanarity of the CO3 group in buetschliite, dipotassium calcium dicarbonate, K2Ca(CO3)2: a further refinement of the atomic arrangement Acta Crystallographica, Section C, 1984, 40, 1299-1300 |
| 9016686 | CIF | Ag1.994 As2 Cd1.58 Pb0.426 S6 | P 43 2 2 | 5.5229; 5.5229; 33.399 90; 90; 90 | 1018.75 | Bindi, L.; Spry, P. G.; Bonazzi, P.; Makovicky, E.; Balic-Zunic T Quadratite, AgCdAsS3:Chemical composition, crystal structure and OD character American Mineralogist, 2013, 98, 242-247 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!