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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9014166 | CIF | Al2 Be3 O18 Si6 | P 6/m c c | 9.212; 9.212; 9.187 90; 90; 120 | 675.169 | 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: anhydrous beryl Lithos, 1968, 1, 275-285 |
| 9014168 | CIF | Al7.194 B3 Ca0.66 F0.432 Fe0.093 H3.567 Li1.647 Mn0.051 Na0.272 O30.567 Pb0.005 Si6 Ti0.009 | R 3 m :H | 15.8368; 15.8368; 7.1014 90; 90; 120 | 1542.44 | Lussier, 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: L26, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014172 | CIF | Bi2 Pb3 S6 | B b m m | 13.216; 20.163; 4.03 90; 90; 90 | 1073.89 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 3.73 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9014173 | CIF | H8 O12 S2 U | P n m a | 14.6464; 11.0786; 5.691 90; 90; 90 | 923.431 | Plasil, J.; Fejfarova, K.; Novak, M.; Dusek, M.; Skoda, R.; Hlousek, J.; Cejka, J.; Majzlan, J.; Sejkora, J.; Machovic, V.; Talla, D. Behounekite, U(SO4)2(H2O)4, From Jachymov (St Joachimsthal), Czech Republic: the first natural U4+ sulphate Mineralogical Magazine, 2011, 75, 2739-2753 |
| 9014174 | CIF | Fe5 Si3 | P 63/m c m | 6.7522; 6.7522; 4.74 90; 90; 120 | 187.154 | 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 = 0.0001 GPa Solid State Sciences, 2004, 6, 673-678 |
| 9014175 | CIF | O2 Pb | P 42/m n m | 4.9577; 4.9577; 3.3879 90; 90; 90 | 83.27 | Bolzan, A. A.; Fong, C.; Kennedy, B. J.; Howard, C. J. Structural studies of rutile-type metal dioxides Acta Crystallographica, Section B, 1997, 53, 373-380 |
| 9014177 | CIF | Al4 Ba0.08 Fe2.26 H4 Mg0.74 O26 P3.92 Sr1.92 V0.08 | P -1 | 5.457; 9.131; 9.769 108.47; 91.72; 97.44 | 456.5 | Leone, P.; Palvadeau, P.; Moelo, Y. Structure cristalline d'un nouvel hydroxyphosphate naturel de strontium, fer et aluminium (lulzacite), Sr2Fe(Fe0,63Mg0,37)2Al4(PO4)4(OH)10 Chimie de l'etat Solide et Cristallochimie, 2000, 3, 301-308 |
| 9014178 | CIF | Fe0.43 Pb2.01 S6 Sn2.56 | C -1 | 5.805; 5.856; 17.338 94.97; 88.45; 89.94 | 586.955 | Makovicky, E.; Petricek, V.; Dusek, M.; Topa, D. The crystal structure of franckeite, Pb21.7Sn9.3Fe4.0Sb8.1S56.9 American Mineralogist, 2011, 96, 1686-1702 |
| 9014179 | CIF | Ba O3 Ti | R 3 m :R | 4.0057; 4.0057; 4.0057 89.846; 89.846; 89.846 | 64.273 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 150 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014180 | CIF | Fe2 H2 O10 Pb V2 | C 1 2/m 1 | 9.294; 6.166; 7.713 90; 115.57; 90 | 398.717 | Krause, W.; Belendorff, K.; Bernhardt, H. J.; McCammon, C. A.; Effenberger, H.; Mikenda, W. Crystal chemistry of the tsumcorite-group minerals. New data on ferrilotharmeyerite, tsumcorite, thometzekite, mounanaite, helmutwinklerite, and a redefinition of gartrellite European Journal of Mineralogy, 1998, 10, 179-206 |
| 9014181 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.3964; 7.3964; 15.8466 90; 90; 90 | 866.916 | 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 = 25 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9014184 | CIF | Fe Nb0.13 O6 Ta1.87 | P 42/m n m | 4.7511; 4.7511; 9.2648 90; 90; 90 | 209.134 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim24_q2, treated at 700 C for 120 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9014185 | CIF | Bi2 Pb3 S6 | P b n m | 11.026; 23.023; 4.0233 90; 90; 90 | 1021.32 | Olsen, L. A.; Balic Zunic, T.; Makovicky, E. High-pressure anisotropic distortion of Pb3Bi2S6: a pressure-induced, reversible phase transition with migration of chemical bonds Note: P = 5.27 GPa Note: occupancies not refined Note: phase known as beta-Pb3Bi2S6 Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9014186 | CIF | C Fe O3 | R -3 c :H | 4.485; 4.485; 13.19 90; 90; 120 | 229.774 | 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 P18_HS, P = 45.13 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9014189 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4548; 11.4548; 11.4548 90; 90; 90 | 1503.01 | 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 = 273.6 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014190 | CIF | As0.04 Ca0.88 F0.73 H0.24 Na0.88 Nb0.14 O6 Pb0.02 Si0.12 Ta1.7 | F d -3 m :2 | 10.4396; 10.4396; 10.4396 90; 90; 90 | 1137.76 | Andrade, M. B.; Atencio, D.; Menezes, L. A. D.; Ellena, J. The crystal structure of a microlite-group mineral with a formula near NaCaTa2O6F from the Morro Redondo mine, Coronel Murta, Minas Gerias, Brazil The Canadian Mineralogist, 2011, 49, 615-621 |
| 9014191 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.4592; 11.4592; 11.4592 90; 90; 90 | 1504.74 | 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 = 322.8 K American Mineralogist, 2011, 96, 1593-1605 |
| 9014192 | CIF | Al5.478 B3 Ca0.029 Fe3.522 Na0.971 O31 Si6 | R 3 m :H | 15.918; 15.918; 7.26 90; 90; 120 | 1593.1 | Ertl, A.; Kolitsch, U.; Dyar, M. D.; Hughes, J. M.; Rossman, G. R.; Pieczka, A.; Henry, D. J.; Pezzotta, F.; Prowatke, S.; Lengauer, C. L.; Korner, W.; Brandstatter, F.; Francis, C. A.; Prem, M.; Tillmanns, E. Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: Evidence from Fe2+ - and Mn2+ -rich tourmaline Note: sample bls2h2, heated a second time in air at 750 C for 72 h American Mineralogist, 2012, 97, 1402-1416 |
| 9014194 | CIF | Ca2.736 O12 Pb0.264 Te2 Zn2.871 | I a -3 d | 12.635; 12.635; 12.635 90; 90; 90 | 2017.09 | Mills, S. J.; Kampf, A. R.; Kolitsch, U.; Housley, R. M.; Raudsepp, M. The crystal chemistry and crystal structure of kuksite, Pb3Zn3Te6+P2O14, and a note on the crystal structure of yafsoanite, (Ca,Pb)3Zn(TeO6)2 American Mineralogist, 2010, 95, 933-938 |
| 9014195 | CIF | Al2 Co0.59 Mg0.41 O4 | F d -3 m :2 | 8.0943; 8.0943; 8.0943 90; 90; 90 | 530.32 | 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: CoAl45 American Mineralogist, 2012, 97, 1834-1840 |
| 9014197 | CIF | As4 H22 Mg3.5 O26 Zn1.5 | P -1 | 7.797; 11.44; 6.616 115.31; 95.77; 93.87 | 526.762 | Dorner, R.; Weber, K. Die Kristallstruktur von Chudobait, (Mg,Zn)5H2[AsO4]4*10H2O Note: many positional parameters were edited according to ICSD because they were missing negative signs Naturwissenschaften, 1976, 63, 243-243 |
| 9014202 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8303; 7.6011; 9.6292 90; 90.18; 90 | 353.54 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 160 K American Mineralogist, 2010, 95, 1413-1421 |
| 9014203 | CIF | Cr2 O3 | R -3 c :H | 4.785; 4.785; 13.162 90; 90; 120 | 260.986 | Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L. High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 29.6 GPa American Mineralogist, 2012, 97, 1764-1770 |
| 9014204 | CIF | C Fe O3 | R -3 c :H | 4.358; 4.358; 12.62 90; 90; 120 | 207.57 | 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 P24, P = 52.6 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9014205 | CIF | Ca0.978 H8 O10 Sr0.022 V2 | I 1 2/a 1 | 14.6389; 6.9591; 17.052 90; 102.568; 90 | 1695.52 | Kampf, A. R.; Marty, J.; Nash, B. P.; Plasil, J.; Kasatkin, A. V.; Skoda, R. Calciodelrioite, Ca(VO3)2(H2O)4, the Ca analogue of delrioite, Sr(VO3)2(H2O)4 Mineralogical Magazine, 2012, 76, 2803-2817 |
| 9014206 | CIF | Ba0.5 Cu O10 Si4 Sr0.5 | P 4/n c c :2 | 7.39533; 7.39533; 15.8482 90; 90; 90 | 866.752 | 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 = 100 K European Journal of Mineralogy, 2007, 19, 189-200 |
| 9014208 | CIF | Al8.517 B3.54 Be0.03 Ca0.241 Fe0.189 H3.32 Li0.342 Mg0.009 Mn0.006 Na0.48 O31 Si5.13 Ti0.009 | R 3 m :H | 15.7713; 15.7713; 7.076 90; 90; 120 | 1524.24 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T2 American Mineralogist, 2004, 89, 447-454 |
| 9014209 | CIF | Cu4 H6 Mo2 O16 U | B 1 1 2/m | 19.8392; 5.5108; 6.1009 90; 90; 104.477 | 645.832 | Tali, R.; Tabachenko, V. V.; Kovba, L. M. Crystal structure of Cu4UO2(MoO4)2(OH)6 Russian Journal of Inorganic Chemistry, 1993, 38, 1350-1352 |
| 9014210 | CIF | Al2.32 As3 Ba0.51 Fe1.68 H4 O18 | P -4 3 m | 7.85; 7.85; 7.85 90; 90; 90 | 483.737 | Mills, S. J.; Rumsey, M. S.; Favreau, G.; Spratt, J.; Raudsepp, M.; Dini, M. Bariopharmacoalumite, a new mineral species from Cap Garonne, France and Mina Grande, Chile Mineralogical Magazine, 2011, 75, 135-144 |
| 9014211 | CIF | Cd Cu H3 N O6 | P 1 21/m 1 | 5.846; 6.613; 6.697 90; 99.44; 90 | 255.397 | Effenberger, H. CdCu(OH)3(NO3), a new layer compound Zeitschrift fur Kristallographie, 2002, 19, 85-85 |
| 9014212 | CIF | H3 K0.62 Na0.38 O10 Si2.5 U | C m m m | 7.092; 17.888; 7.113 90; 90; 90 | 902.367 | Baturin, S. V. Crystal-structure of weeksite Doklady Akademii Nauk SSSR, 1985, 282, 1132-1136 |
| 9014215 | CIF | Al8.697 B3.618 Be0.036 Ca0.29 Fe0.084 H3.41 K0.002 Li0.366 Mg0.006 Mn0.009 Na0.408 O31 Si4.992 Ti0.006 | R 3 m :H | 15.7537; 15.7537; 7.0707 90; 90; 120 | 1519.7 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T1 American Mineralogist, 2004, 89, 447-454 |
| 9014216 | CIF | C Ca O3 | R -3 c :H | 4.9759; 4.9759; 17.4316 90; 90; 120 | 373.776 | 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 = 662 C Note: P = 101 kPa The Canadian Mineralogist, 2010, 48, 1225-1236 |
| 9014217 | CIF | Al1.37 Ba0.05 F0.16 Fe0.776 H1.34 K0.85 Mg2.224 Na0.07 O11.84 Si2.63 | C 1 2/m 1 | 5.3379; 9.2414; 10.2311 90; 100.023; 90 | 496.994 | Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_9 American Mineralogist, 2010, 95, 1458-1466 |
| 9014218 | CIF | As2 Pd | P a -3 | 5.9855; 5.9855; 5.9855 90; 90; 90 | 214.438 | 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 |
| 9014219 | CIF | As3 Ba0.5 Fe4 H16.32 O22.16 | P -4 2 m | 7.947; 7.947; 8.049 90; 90; 90 | 508.333 | Hager, S. L.; Leverett, P.; Williams, P. A.; Mills, S. J.; Hibbs, D. E.; Raudsepp, M.; Kampf, A. R.; Birch, W. D. The single-crystal X-ray structures of bariopharmacosiderite-C, bariopharmacosiderite-Q and natropharmacosiderite Note: sample Bariopharmacosiderite-Q The Canadian Mineralogist, 2010, 48, 1477-1485 |
| 9014220 | CIF | B11 Ca0.62 H7 O22 Sr1.38 | C 1 c 1 | 6.607; 11.7125; 20.6848 90; 91.998; 90 | 1599.71 | Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: moderate-T, high-P polytype veatchite-2M American Mineralogist, 2012, 97, 489-495 |
| 9014221 | CIF | Al7.203 B3 Ca0.63 F0.691 Fe0.123 H3.309 Li1.524 Mg0.069 Mn0.069 Na0.338 O30.309 Pb0.007 Si6 Ti0.012 | R 3 m :H | 15.8404; 15.8404; 7.1039 90; 90; 120 | 1543.69 | Lussier, 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: L28, ordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9014222 | CIF | Co F6 Np O3 | C 1 2 1 | 12.119; 6.908; 7.928 90; 92.84; 90 | 662.902 | Abazli, H.; Cousson, A.; Jove, J.; Pages, M.; Gasperin, M. Les composes Co Np F6 (H2 O)3 et Co U F6 (H2 O)3. Etude structurale, mesur des susceptibilites magnetiques et resonance Moessbauer (237 Np) _cod_database_code 1001329 Journal of the Less-Common Metals, 1984, 96, 23-33 |
| 9014223 | CIF | O4 Pb Se | P 1 21/n 1 | 7.154; 7.407; 6.954 90; 103.14; 90 | 358.842 | Effenberger, H.; Pertlik, F. Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 Zeitschrift für Kristallographie, 1986, 176, 75-83 |
| 9014224 | CIF | B Ce O5 Si | P 31 | 6.85; 6.85; 6.7 90; 90; 120 | 272.262 | Voronkov, A. A.; Pyatenko, Y. A. X-ray diffraction study of the atomic structure of stillwellite CeBO[SiO4] Soviet Physics Crystallography, 1967, 12, 214-220 |
| 9014225 | CIF | Fe Nb0.2 O6 Ta1.8 | P 42/m n m | 4.7515; 4.7515; 9.254 90; 90; 90 | 208.925 | von Heidenstam, O. Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A and B combined Arkiv for Kemi, 1968, 28, 375-387 |
| 9014226 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.171; 8.171; 8.171 90; 90; 90 | 545.539 | 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 = 3069 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9014227 | CIF | B11 Ca0.087 H7 O22 Sr1.913 | P -1 | 6.6378; 6.7387; 20.982 87.86; 82.696; 60.476 | 809.684 | Grice, J. D.; Pring, A. Veatchite: structural relationships of the three polytypes Note: low-T, low-P polytype veatchite-1A American Mineralogist, 2012, 97, 489-495 |
| 9014228 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.8325; 7.6041; 9.63 90; 90.184; 90 | 353.87 | Rinaldi, R.; Gatta, G. D.; Angel, R. J. Crystal chemistry and low-temperature behavior of datolite: a single-crystal X-ray diffraction study Note: T = 220 K American Mineralogist, 2010, 95, 1413-1421 |
| 9014229 | CIF | Al1.36 Fe0.766 H1.597 K Mg2.234 O12 Si2.64 | C 1 2/m 1 | 5.3435; 9.253; 10.2458 90; 100.006; 90 | 498.882 | Zema, M.; Ventruti, G.; Lacalamita, M.; Scordari, F. Kinetics of Fe-oxidation/deprotonation process in Fe-rich phlogopite under isothermal conditions Sample: SA1_15n American Mineralogist, 2010, 95, 1458-1466 |
| 9014230 | CIF | Ba O3 Ti | R 3 m :R | 4.0036; 4.0036; 4.0036 89.84; 89.84; 89.84 | 64.172 | Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W. Structures of the ferroelectric phases of barium titanate Note: T = 20 K Journal of Physical Chemistry, 1993, 97, 2368-2377 |
| 9014231 | CIF | Fe | F m -3 m | 3.539; 3.539; 3.539 90; 90; 90 | 44.324 | 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 M605, P = 14.45 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9014233 | CIF | H6 Mg O6 Si | P 1 21 1 | 5.1131; 5.1898; 7.3303 90; 90.03; 90 | 194.517 | Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S. The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy American Mineralogist, 2012, 97, 1043-1048 |
| 9014235 | CIF | Fe4 O5 | C m c m | 2.843; 9.7; 12.29 90; 90; 90 | 338.923 | Lavina, B.; Dera, P.; Kim, E.; Meng, Y.; Downs, R. T.; Weck, P. F.; Sutton, S. R.; Zhao, Y. Discovery of the recoverable high-pressure iron oxide Fe4O5 Note: P = 10 GPa Proceedings of the National Academy of Sciences, 2011, 108, 17281-17284 |
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