Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9016077 | CIF | Fe0.999 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7554; 4.7554; 9.2281 90; 90; 90 | 208.683 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim5_q1, treated at 750 C for 30 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9016078 | CIF | N O12 P4 Pr | C 1 2/c 1 | 7.916; 12.647; 10.672 90; 110.34; 90 | 1001.79 | Masse, R.; Guitel, J. C.; Durif, A. Structure cristalline du tetrametaphosphate de praseodyme-ammonium, PrN H4 P4 O12. Donnees cristallographiques de Pr N H4 P4 O12 Acta Crystallographica, Section B, 1977, 33, 630-632 |
| 9016079 | CIF | As0.54 Cl Cu4 O6 V0.46 | P b c m | 5.44; 11.154; 10.333 90; 90; 90 | 626.983 | Starova, G. L.; Krivovichev, S. V.; Filatov, S. K. Crystal chemistry of inorganic compounds based on chains of oxocentered tetrahedra II. Crystal structure of Cu~4~O~2~[(As,V)O~4~]Cl Zeitschrift für Kristallographie, 1998, 213, 650-653 |
| 9016080 | CIF | Ba0.295 O4 Ti1.3 V0.7 | I 4/m | 10.139; 10.139; 2.961 90; 90; 90 | 304.389 | Shi, N.; Ma, Z.; Liu, W. Crystal structure determination of ankangite with one dimensional incommensurate modulation Acta Petrologica et Mineralogica, 1991, 10, 233-245 |
| 9016082 | CIF | C Fe O3 | R -3 c :H | 4.65; 4.65; 15.12 90; 90; 120 | 283.132 | 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 P3, P = 4.89 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9016083 | CIF | Al5.47 B3.17 Ca0.18 Fe1.67 H3.6 Mg1.86 Na0.77 O31 Si5.78 Ti0.05 | R 3 m :H | 15.96; 15.96; 7.238 90; 90; 120 | 1596.67 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Dravite 43167 Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9016084 | CIF | Ba O3 Ti | A m m 2 | 3.9841; 5.6741; 5.6916 90; 90; 90 | 128.665 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 230 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9016086 | CIF | Al Cu F H5 O4 | C 1 2/m 1 | 12.346; 2.907; 10.369 90; 97.9; 90 | 368.61 | Hager, S. L.; Leverett, P.; Williams, P. A. Possible structural and chemical relationships in the cyanotrichite group The Canadian Mineralogist, 2009, 47, 635-648 |
| 9016089 | CIF | C H O4 Tb | P 21 21 21 | 7.0256; 4.8577; 8.4657 90; 90; 90 | 288.92 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9016090 | CIF | Al1.609 Fe0.39 Mg1.001 O4 | F d -3 m :2 | 8.1476; 8.1476; 8.1476 90; 90; 90 | 540.865 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 17,520 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016091 | CIF | Al2 Be3 H2 O19 Si6 | P 6/m c c | 9.213; 9.213; 9.206 90; 90; 120 | 676.712 | Gibbs, G. V.; Breck, D. W.; Meagher, E. P. Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: hydrous beryl Lithos, 1968, 1, 275-285 |
| 9016092 | CIF | Fe3.797 H12 Mg1.203 Na0.365 O24 P4 | C 2 2 21 | 12.7997; 17.9081; 8.2112 90; 90; 90 | 1882.16 | Kampf, A. R.; Mills, S. J.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V. Angarfite, NaFe3+5(PO4)4(OH)4*4H2O, a new mineral species from the Angarf-Sud pegmatite, Morocco: description and crystal structure The Canadian Mineralogist, 2012, 50, 781-791 |
| 9016095 | CIF | As S | P 1 21/n 1 | 8.873; 12.789; 6.251 90; 107; 90 | 678.349 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 3.53 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9016096 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.147; 8.147; 8.147 90; 90; 90 | 540.746 | Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A. Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9016097 | CIF | H10 Mn8 O25 Si6 | P -3 m 1 | 13.42; 13.42; 7.159 90; 90; 120 | 1116.57 | Takeuchi, Y.; Kawada, I.; Irimaziri, S.; Sadanaga, R. The crystal structure and polytypism of manganpyrosmalite Mineralogical Journal, 1969, 5, 450-467 |
| 9016099 | CIF | D4 Na3 O10 Si Ti2 | P 42/m c m | 7.8099; 7.8099; 11.956 90; 90; 90 | 729.251 | Thorogood, G. J.; Kennedy, B. J.; Griffith, C. S.; Elcombe, M. E.; Avdeev, M.; Hanna, J. V.; Thorogood, S. K.; Luca, V. Structure and phase transformations in the titanosilicate, sitinakite. The importance of water Note: T = 298 K with neutron Chemistry of Materials, 2010, 22, 4222-4231 |
| 9016100 | CIF | Ca3 O7 Si2 | I 2 c m | 11.4525; 5.0867; 21.9963 90; 90; 90 | 1281.4 | Galuskin, E. V.; Gfeller, F.; Savelyeva, V. B.; Armbruster, T.; Lazic, B.; Galuskina, I. O.; Tobbens, D. M.; Zadov, A. E.; Dzierzanowski, P.; Pertsev, N. N.; Gazeev, V. M. Pavlovskyite Ca8(SiO4)2(Si3O10): a new mineral of altered silicate-carbonate xenoliths from the two Russian type localities, Birkhin massif, Baikal Lake area and Upper Chegem caldera, North Caucasus American Mineralogist, 2012, 97, 503-512 |
| 9016101 | CIF | Al9.024 B6.288 Ca0.12 F0.69 Fe0.18 H6.31 Li1.38 Mn0.858 Na0.76 O42.31 Si5.712 Ti0.018 | R 3 m :H | 15.843; 15.843; 7.1051 90; 90; 120 | 1544.46 | Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E. Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample BLP1 European Journal of Mineralogy, 2012, 24, 695-715 |
| 9016102 | CIF | Al2.964 H6.159 K0.876 Na0.071 O14.053 S2 | R -3 m :H | 6.9749; 6.9749; 17.315 90; 90; 120 | 729.506 | Zema, M.; Callegari, A. M.; Tarantino, S. C.; Gasparini, E.; Ghigna, P. Thermal expansion of alunite up to dehydroxylation and collapse of the crystal structure Note: T = 25 C Mineralogical Magazine, 2012, 76, 613-623 |
| 9016105 | CIF | Cu O | C 1 2/c 1 | 4.6833; 3.4208; 5.1294 90; 99.567; 90 | 81.033 | Brese, N. E.; O'Keeffe M; Ramakrishna, B. L.; von Dreele, R. B. Low-temperature structures of CuO and AgO and their relationships to those of MgO and PdO Note: T = 11 K Journal of Solid State Chemistry, 1990, 89, 184-190 |
| 9016106 | CIF | O0.18 Pb13.44 S36 Sb15.56 | C 1 2/m 1 | 48.19; 4.11; 34.24 90; 106.059; 90 | 6516.97 | Topa, D.; Sejkora, J.; Makovicky, E.; Prsek, J.; Ozdin, D.; Putz, H.; Dittrich, H.; Karup-Moller S Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from the Low Tatra Mountains, Western Carpathians, Slovakia European Journal of Mineralogy, 2012, 24, 727-740 |
| 9016109 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39482; 7.39482; 15.8504 90; 90; 90 | 866.753 | Knight, K. S.; Henderson, C. M. B. Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 150 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9016110 | CIF | Al Ge2 Li O6 | P 1 21/n 1 | 9.8986; 8.4008; 5.4016 90; 110.648; 90 | 420.323 | Redhammer, G. J.; Nestola, F.; Miletich, R. Synthetic LiAlGe2O6: The first pyroxene with P2_1/n symmetry Note: Sample #LA2n_L_tr American Mineralogist, 2012, 97, 1213-1218 |
| 9016111 | CIF | Mg1.84 O4 Si0.98 | F d -3 m :2 | 8.1031; 8.1031; 8.1031 90; 90; 90 | 532.051 | 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 = 685 K, split Si model American Mineralogist, 2012, 97, 573-582 |
| 9016112 | CIF | Be O | P 63 m c | 2.7109; 2.7109; 4.3999 90; 90; 120 | 28.003 | Hazen, R. M.; Finger, L. W. High-pressure and high-temperature crystal chemistry of beryllium oxide Note: T = 963 K Journal of Applied Physics, 1986, 59, 3728-3733 |
| 9016113 | CIF | Al2.5 Ca0.798 H5.698 Na0.676 O12.849 Si2.5 | P b m n | 13.0603; 13.0456; 6.5981 90; 90; 90 | 1124.18 | Gatta, G. D.; Kahlenberg, V.; Kaindl, R.; Rotiroti, N.; Cappelletti, P.; de Gennaro, M. Crystal structure and low-temperature behavior of "disordered" thomsonite T = 98.0 K American Mineralogist, 2010, 95, 495-502 |
| 9016115 | CIF | Ca2 O12 Pb Si3 Zn3 | P 1 21/n 1 | 8.7889; 8.2685; 15.2535 90; 90.05; 90 | 1108.49 | Tait, K. T.; Yang, H.; Downs, R. T.; Li, C.; Pinch, W. W. The crystal structure of esperite, with a revised chemical formula, PbCa2(ZnSiO4)3, isostructural with beryllonite American Mineralogist, 2010, 95, 699-705 |
| 9016116 | CIF | Mg0.6 Mn1.4 O4 Si | P n m a | 10.52411; 6.17903; 4.83927 90; 90; 90 | 314.692 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9016118 | CIF | O7 P V | P 1 21/c 1 | 7.613; 7.431; 9.482 90; 95.44; 90 | 534.002 | Le Bail, A.; Ferey, G.; Amoros, P.; Beltran-Portier D Structure of vanadyl hydrogenphosphate dihydrate alpha-VO(HPO4)*2H2O solved from X-ray and neutron powder diffraction _cod_database_code 1000083 European Journal of Solid State and Inorganic Chemistry, 1989, 26, 419-426 |
| 9016119 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7551; 4.7551; 9.281 90; 90; 90 | 209.852 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim14_q0, untreated Mineralogical Magazine, 2006, 70, 319-328 |
| 9016121 | CIF | Ag0.997 Au0.001 Bi0.003 Sb0.002 | F m -3 m | 4.077; 4.077; 4.077 90; 90; 90 | 67.768 | Novgorodova, M. I.; Gorshkov, A. I.; Mokhov, A. V. Native silver and its new structural modifications Note: Sample DV-260 International Geology Review, 1981, 23, 485-494 |
| 9016123 | CIF | As2 H10 Mn3 O14 | P 1 | 5.5828; 9.766; 5.5455 94.467; 111.348; 93.85 | 279.26 | Callegari, A. M.; Boiocchi, M.; Ciriotti, M. E.; Balestra, C. Coralloite, Mn2+Mn3+2(AsO4)2(OH)2*4H2O, a new mixed valence Mn hydrate arsenate: crystal structure and relationships with bermanite and whitmoreite mineral groups American Mineralogist, 2012, 97, 727-734 |
| 9016124 | CIF | As2 H14 Mg0.4 Ni0.6 O17 U2 | C 1 2/m 1 | 17.91; 6.985; 6.594 90; 99.89; 90 | 812.659 | Pekov, I. V.; Levitskiy, V. V.; Krivovichev, S. V.; Zolotarev, A. A.; Chukanov, N. V.; Bryzgalov, I. A.; Zadov, A. E. New nickel-uranium-arsenic mineral species from the oxidation zone of the Belorechenskoye deposit, Northern Caucasus, Russia: II. Dymkovite, Ni(UO2)2(As3+O3)2*7H2O, a seelite-related arsenite European Journal of Mineralogy, 2012, 24, 923-930 |
| 9016125 | CIF | Ca3 O5 Si | P -1 | 11.6389; 14.1716; 13.6434 104.982; 94.622; 90.107 | 2166.2 | De la Torre, A. G.; De Vera, R. N.; Cuberos, A. J. M.; Aranda, M. A. G. Crystal structure of low magnesium-content alite: application to Rietveld quantitative phase analysis Cement and Concrete Research, 2008, 38, 1261-1269 |
| 9016126 | CIF | La0.17 Na1.5 Nb2 O6 | P b c m | 5.5189; 5.5458; 15.6313 90; 90; 90 | 478.423 | Mishchuk, D. O.; V'yunov, O. I.; Ovchar, O. V.; Belous, A. G. Structural and dielectric properties of solid solutions of sodium niobate in lanthanum and neodymium niobates Note: La2/3-x Na3x Nb2O6 synthesized at 1350 deg C Note: x = .5, La.17Na1.5Nb2O6 Inorganic Materials, 2004, 40, 1324-1330 |
| 9016127 | CIF | Al Cl3 O6 | R -3 c :R | 7.85; 7.85; 7.85 97; 97; 97 | 471.94 | Andress, K.; Carpenter, C. Kristallhydrate. II.Die Struktur von Chromchlorid- und Aluminiumchloridhexahydrat _cod_database_code 1011008 Zeitschrift fur Kristallographie, 1934, 87, 446-463 |
| 9016129 | CIF | Ca2 O4 Si | P b n m | 5.074; 11.211; 6.753 90; 90; 90 | 384.142 | Zadov, A. E.; Gazeev, V. M.; Pertsev, N. N.; Gurbanov, A. G.; Gobechiya, E. R.; Yamnova, N. A.; Chukanov, N. V. Calcioolivine, gamma-Ca2SiO4, an old and new mineral species Kabarda-Balkaria Republic, Russia Geology of Ore Deposits, 2009, 51, 741-749 |
| 9016130 | CIF | As2 Pt | P a -3 | 5.9665; 5.9665; 5.9665 90; 90; 90 | 212.402 | Furuseth, S.; Selte, K.; Kjekshus, A. Redetermined crystal structures of PdAs2, PdSb2, PtP2, PtAs2, PtSb2, alpha-PtBi2, and AuSb2 Acta Chemica Scandinavica, 1965, 19, 735-741 |
| 9016131 | CIF | C Na1.959 O3 | C 1 2/m 1 | 8.851; 5.24; 6.021 90; 101.08; 90 | 274.044 | Arakcheeva, A.; Bindi, L.; Pattison, P.; Meisser, N.; Chapuis, G.; Pekov, I. The incommensurately modulated structures of natural natrite at 120 and 293 K from synchrotron X-ray data T = 293 K American Mineralogist, 2010, 95, 574-581 |
| 9016133 | CIF | As S | P 1 21/n 1 | 9.164; 13.227; 6.47 90; 106.56; 90 | 751.714 | Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0.89 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9016134 | CIF | Fe Si2 | P 4/m m m | 2.684; 2.684; 5.128 90; 90; 90 | 36.941 | Aronsson, B. A note on the compositions and crystal structures of MnB2, Mn3Si, Mn5Si3 and FeSi2 Acta Chemica Scandinavica, 1960, 14, 1414-1418 |
| 9016135 | CIF | B H O2 | P 1 21/a 1 | 7.127; 8.842; 6.773 90; 93.21; 90 | 426.144 | Demartin, F.; Gramaccioli, C. M.; Campostrini, I. Clinometaborite, natural beta-metaboric acid, from La Fossa Crater, Vulcano, Aeolian Islands, Italy The Canadian Mineralogist, 2011, 49, 1273-1279 |
| 9016136 | CIF | B O8 P Th2 | P 1 21/c 1 | 8.4665; 7.9552; 8.2297 90; 103.746; 90 | 538.417 | Lipp, C.; Burns, P. C. Th2[BO4][PO4]: a rare example of an actinide borate-phosphate The Canadian Mineralogist, 2011, 49, 1211-1220 |
| 9016137 | CIF | Ba Be2 O7 Si2 | P m 1 1 | 11.618; 4.904; 4.655 89.94; 90; 90 | 265.217 | Rastsvetaeva, R. K.; Chukanov, N. V. Crystal structure and microtwinning of a new mineral clinobarylite, BaBe2Si2O7 Doklady Akademii Nauk, 2003, 388, 205-207 |
| 9016138 | CIF | Mg1.88 O4 Si0.98 | F d -3 m :2 | 8.1084; 8.1084; 8.1084 90; 90; 90 | 533.096 | 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 = 586 K American Mineralogist, 2012, 97, 573-582 |
| 9016139 | CIF | Fe Ge O3 | C 1 2/c 1 | 9.7838; 9.1349; 5.1929 90; 101.75; 90 | 454.385 | 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 = 50 K American Mineralogist, 2012, 97, 694-706 |
| 9016140 | CIF | Al2 Fe H4 O10 Si2 | C c c b :1 | 13.77; 20.18; 5.109 90; 90; 90 | 1419.68 | MacGillavry, C. H.; Korst, W. L.; Weichel Moore, E. J.; van der Plas, H. J. The crystal structure of ferrocarpholite Acta Crystallographica, 1956, 9, 773-776 |
| 9016141 | CIF | Ca3 F3 K2.44 Mg3 Na6.56 O36 S9 | P 63/m c m | 16.6682; 16.6682; 6.9007 90; 90; 120 | 1660.36 | Pekov, I. V.; Zelenski, M. E.; Zubkova, N. V.; Ksenofontov, D. A.; Kabalov, Y. K.; Chukanov, N. V.; Yapaskurt, V. O.; Zadov, A. E.; Pushcharovsky, D. Y. Krasheninnikovite, KNa2CaMg(SO4)3F, a new mineral from the Tolbachik volcano, Kamchatka, Russia American Mineralogist, 2012, 97, 1788-1795 |
| 9016142 | CIF | Na2 O11 P Te | P 63 | 5.908; 5.908; 15.09 90; 90; 120 | 456.143 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structures de deux phosphotellurates. Te(OH)6((NH4)2HPO4)2 and Te(OH)6(Na2HPO4)(H2O) Acta Crystallographica, Section B, 1979, 35, 1444-1447 |
| 9016143 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7507; 4.7507; 9.2794 90; 90; 90 | 209.428 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim20_q6, treated at 650 C for 15 min Mineralogical Magazine, 2006, 70, 319-328 |
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