Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 9016687 | CIF | Ca1.325 K2 Mg0.67 O12 S3 | P 21 3 | 10.19; 10.19; 10.19 90; 90; 90 | 1058.09 | Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Yapaskurt, V. O.; Chukanov, N. V.; Belakovskiy, D. I.; Pushcharovsky, D. Y. Calciolangbeinite, K2Ca2(SO4)3, a new mineral from the Tolbachik volcano, Kamchatka, Russia Mineralogical Magazine, 2012, 76, 673-682 |
| 9016689 | CIF | Cr Mn2 O9 Pb2 | P -1 | 5.0278; 7.5865; 10.2808 91.968; 99.405; 109.159 | 363.813 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Bottrill, R. S.; Kolitsch, U. Reynoldsite, Pb2Mn4+2O5(CrO4), a new phyllomanganate-chromate from the Blue Bell claims, California and the Red Lead mine, Tasmania American Mineralogist, 2012, 97, 1187-1192 |
| 9016690 | CIF | Ba Ca2 O9 Si3 | P -1 | 6.733; 9.608; 6.685 69.64; 102.29; 96.89 | 395.65 | Basciano, L. C. Mineralogy and crystal structures of barium silicate minerals from Fresno County, California Master's Thesis, University of British Columbia, 1999, 1999, 1-164 |
| 9016691 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4401; 11.4401; 11.4401 90; 90; 90 | 1497.23 | 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 = 96.7 K American Mineralogist, 2011, 96, 1593-1605 |
| 9016692 | CIF | Ca2 Fe4 O12 Sb Y | I a -3 d | 12.521; 12.521; 12.521 90; 90; 90 | 1962.98 | Berry, F. J.; Davalos, J.; Greaves, C.; Marco, J. F.; Slaski, M.; Slater, P. R.; Vithal, M. Magnetic ordering in the garnet YCa2SbFe4O12 T = 10 K Journal of Solid State Chemistry, 1995, 115, 435-440 |
| 9016693 | CIF | Al4 As3 H10.416 K0.222 Na0.57 O19.104 | P -4 3 m | 7.728; 7.728; 7.728 90; 90; 90 | 461.531 | Rumsey, M. S.; Mills, S. J.; Spratt, J. Natropharmacoalumite, NaAl4[(OH)4(AsO4)3]*4H2O, a new mineral of the pharmacosiderite supergroup and the renaming of aluminopharmacosiderite to pharmacoalumite Mineralogical Magazine, 2010, 74, 929-936 |
| 9016694 | CIF | Ba Ca2 O9 Si3 | P -1 | 6.7335; 9.6142; 6.6859 69.638; 102.281; 96.855 | 396.009 | Barkley, M. C.; Downs, R. T.; Yang, H. Structure of walstromite, BaCa2Si3O9, and its relationship to CaSiO3-walstromite and wollastonite-II American Mineralogist, 2011, 96, 797-801 |
| 9016695 | CIF | Cu F4 Nb O6 | P 1 21/c 1 | 5.59; 9.978; 7.544 90; 103.36; 90 | 409.394 | Crosnier-Lopez M; Duroy, H.; Fourquet, J. About the crystal structure of CuNb(OH,F)7*3H2O _cod_database_code 1000364 Journal of Solid State Chemistry, 1994, 108, 398-401 |
| 9016698 | CIF | Al1.459 Fe0.54 Mg1.003 O4 | F d -3 m :2 | 8.1709; 8.1709; 8.1709 90; 90; 90 | 545.519 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016700 | CIF | Al3 H3.18 Na3.922 O14.69 P0.3 Si3 | P 63 | 12.7345; 12.7345; 5.1798 90; 90; 120 | 727.457 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Van, K. V.; Pushcharovsky, D. Y. Depmeierite Na8[Al6Si6O24](PO4,CO3)1-x·3H2O (x<0.5) - a new cancrinite group mineral from the Lovozero alkaline massif (Kola Peninsula, Russia) Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva, 2010, 139, 63-74 |
| 9016702 | CIF | Cu5 Li2 O14 Si4 | P -1 | 7.404; 7.754; 5.455 90.52; 106.27; 114.64 | 270.4 | Kawamura, K.; Kawahara, A.; Iiyama, J. T. The crystal structure of Li2Cu5(Si2O7)2 and the proposal of new values for the effective iconic radii of Cu2+ Acta Crystallographica, Section B, 1978, 34, 3181-3185 |
| 9016703 | CIF | Al Ca0.484 O4 Si | P 1 21 1 | 8.228; 8.621; 4.827 90; 90; 90 | 342.396 | Takeuchi, Y.; Haga, N.; Ito, J. The crystal structure of monoclinic CaAl2Si2O8: a case of monoclinic structure closely simulating orthorhombic symmetry Zeitschrift fur Kristallographie, 1973, 137, 380-398 |
| 9016704 | CIF | Al0.16 As4.92 Fe0.84 H16 Mg1.66 Mn23.39 O62 Si7.22 Zn2.81 | C 2 2 21 | 8.1821; 14.1946; 43.9103 90; 90; 90 | 5099.81 | Cooper, M. A.; Hawthorne, F. C. Crystal structure of kraisslite, Zn3(Mn,Mg)25(Fe3+,Al)(As3+O3)2[(Si,As5+)O4]10(OH)16, from the Sterling Hill mine, Ogdensburg, Sussex County, New Jersey, USA Mineralogical Magazine, 2012, 76, 2819-2836 |
| 9016705 | CIF | C Ca O3 | R -3 c :H | 4.98; 4.98; 17.192 90; 90; 120 | 369.246 | Antao, S. M.; Hassan, I. Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 297 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9016706 | CIF | C Ca O3 | R -3 c :H | 4.9844; 4.9844; 17.0376 90; 90; 120 | 366.577 | Ondrus, P.; Veselovsky, F.; Gabasova, A.; Hlousek, J.; Srein, V.; Vavrnn, I.; Skala, R.; Sejkora, J.; Drabek, M. Primary minerals of the Jachymov ore district Journal of the Czech Geological Society, 2003, 48, 19-147 |
| 9016707 | CIF | As2 Ba3 O8 | R -3 m :H | 5.7672; 5.7672; 21.163 90; 90; 120 | 609.59 | Park, C. H.; Bluhm, K. Zur Synthese und Kristallstruktur von Bariumboroarsenat Ba(BAsO5) mit einem Beitrag uber Bariumorthoarsenat Ba3(AsO4)2 Zeitschrift fur Naturforschung B, 1996, 51, 722-726 |
| 9016708 | CIF | Ba0.16 Ca12.82 F H4.18 K6.94 Mn0.18 Na3.18 O92.59 Si35 Sr0.5 | P 1 21/m 1 | 31.96; 19.64; 7.09 90; 90; 90 | 4450.35 | Rozhdestvenskaya, I.; Mugnaioli, E.; Czank, M.; Depmeier, W.; Kolb, U.; Reinholdt, A.; Weirich, T. The structure of charoite, (K,Sr,Ba,Mn)15-16(Ca,Na)32[(Si70(O,OH)180)](OH,F)4.0*nH2O, solved by conventional and automated electron diffraction Note: this is polytype charoite-90 Mineralogical Magazine, 2010, 74, 159-177 |
| 9016709 | CIF | C Fe O3 | R -3 c :H | 4.347; 4.347; 12.477 90; 90; 120 | 204.183 | 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 P27-4, P = 55.0 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016710 | CIF | Ba O9 Si3 Ti | P -6 c 2 | 6.5605; 6.5605; 9.6574 90; 90; 120 | 359.969 | Hejny, C.; Miletich, R.; Jasser, A.; Schouwink, P.; Crichton, W.; Kahlenberg, V. Second-order P6c2-P31c transition and structural crystallography of the cyclosilicate benitoite, BaTiSi3O9, at high pressure Note: P = 4.01 GPa American Mineralogist, 2012, 97, 1749-1763 |
| 9016713 | CIF | Al6.78 Ca1.84 Fe12.22 Mn12.91 Na13.5 O120 P30 | P 1 c 1 | 13.4499; 12.5046; 26.6148 90; 101.221; 90 | 4390.66 | Tait, 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: brown sample The Canadian Mineralogist, 2011, 49, 1221-1242 |
| 9016714 | CIF | O2 Zr | P 1 21/c 1 | 5.1505; 5.2116; 5.3173 90; 99.23; 90 | 140.881 | Howard, C. J.; Hill, R. J.; Reichert, B. E. Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Acta Crystallographica, Section B, 1988, 44, 116-120 |
| 9016715 | CIF | La0.1 Nb2 O6 Sr0.9 | P n m a | 11.021; 7.675; 5.584 90; 90.19; 90 | 472.327 | 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 |
| 9016716 | CIF | Cr0.01 Fe1.27 Ni0.05 P0.06 Si0.62 | P m -3 m | 2.831; 2.831; 2.831 90; 90; 90 | 22.689 | Anand, M.; Taylor, L. A.; Nazarov, M. A.; Shu, J.; Mao, H. K.; Hemley, R. J. Space weathering on airless planetary bodies: Clues from the lunar mineral hapkeite Proceedings of the National Academy of Sciences, 2005, 101, 6847-6851 |
| 9016719 | CIF | Al2 Co0.08 Mg0.91 O4 | F d -3 m :2 | 8.0848; 8.0848; 8.0848 90; 90; 90 | 528.455 | Bosi, F.; Halenius, U.; D'Ippolito V; Andreozzi, G. B. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales Sample: CoAl1 American Mineralogist, 2012, 97, 1834-1840 |
| 9016720 | CIF | Al5.29 B3 Ca0.301 F0.42 Fe H3.28 Mg2.7 Na0.713 O30.58 Si5.94 Ti0.06 | R 3 m :H | 15.999; 15.999; 7.236 90; 90; 120 | 1604.04 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43873 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
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