Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9015258 | CIF | Fe | F m -3 m | 3.533; 3.533; 3.533 90; 90; 90 | 44.099 | 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 = 15.58 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015259 | CIF | Al7.29 Fe0.71 H42 O48 P6 | P 1 21/n 1 | 10.604; 16.608; 20.647 90; 98.848; 90 | 3592.9 | Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Spratt, J.; Favreau, G. The crystal structure determination and redefinition of matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O Mineralogical Magazine, 2012, 76, 517-534 |
| 9015260 | CIF | C Fe O3 | R -3 c :H | 4.527; 4.527; 13.57 90; 90; 120 | 240.842 | 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 P11, P = 36.3 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015264 | CIF | Cl F O Pb2 | I 4/m m m | 4.065; 4.065; 12.631 90; 90; 90 | 208.717 | Turner, R. W.; Siidra, O. I.; Krivovichev, S. V.; Stanley, C. J.; Spratt, J. Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride mineral with the parent crystal structure for layered lead oxychlorides Mineralogical Magazine, 2012, 76, 1247-1255 |
| 9015265 | CIF | Rh Sb3 | I m -3 | 9.2322; 9.2322; 9.2322 90; 90; 90 | 786.893 | Kjekshus, A.; Rakke, T. Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides, Acta Chemica Scandinavica A, 1974, 28, 99-103 |
| 9015266 | CIF | Al2 Ca0.019 H4 O10 Si2 Sr0.981 | P 1 21/m 1 | 5.4222; 13.2778; 5.8584 90; 124.42; 90 | 347.929 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU89 American Mineralogist, 2010, 95, 724-735 |
| 9015267 | CIF | Cu3 Mo1.94 O9 S0.06 | P n m a | 7.6638; 6.867; 14.5554 90; 90; 90 | 766.012 | Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Polekhovsky, Y. S.; Pushcharovsky, D. Y. Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from the Tolbachik volcano, Kamchatka Peninsula, Russia European Journal of Mineralogy, 2012, 24, 749-757 |
| 9015268 | CIF | Al8.64 B4.2 H3 Li0.36 Na0.76 O31 Si4.8 | R 3 m :H | 15.723; 15.723; 7.068 90; 90; 120 | 1513.21 | Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R. Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-11 American Mineralogist, 2012, 97, 1591-1597 |
| 9015269 | CIF | Al2 Ca0.807 H4 O10 Si2 Sr0.193 | C m c m | 5.8457; 8.8286; 13.1834 90; 90; 90 | 680.387 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU62 American Mineralogist, 2010, 95, 724-735 |
| 9015271 | CIF | Al2.46 Cu2.86 H36 O36 Sb3 Zn3.68 | R -3 :H | 5.34; 5.34; 88.01 90; 90; 120 | 2173.43 | Mills, S. J.; Christy, A. G.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V. Zincalstibite-9R: the first nine-layer polytype with the layered double hydroxide structure-type Mineralogical Magazine, 2012, 76, 1337-1345 |
| 9015272 | CIF | Al2 Cu0.24 Mg0.76 O4 | F d -3 m :2 | 8.0867; 8.0867; 8.0867 90; 90; 90 | 528.827 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl50bw American Mineralogist, 2012, 97, 1821-1827 |
| 9015273 | CIF | Fe1.1 Mg0.75 Mn0.15 O4 Si | P b n m | 4.809; 10.42; 6.08 90; 90; 90 | 304.667 | Hazen, R. M. Effects of temperature and pressure on the crystal structure of ferromagnesian olivine T = 300 deg C, P = 1 atm American Mineralogist, 1977, 62, 286-295 |
| 9015274 | CIF | Mg2 O4 Si | I m m a | 5.7321; 11.4998; 8.3163 90; 90; 90 | 548.194 | Trots, D. M.; Kurnosov, A.; Ballaran, T. F.; Frost, D. J. High-temperature structural behaviors of anhydrous wadsleyite and forsterite Note: T = 929 K American Mineralogist, 2012, 97, 1582-1590 |
| 9015276 | CIF | C0.74 H2.46 Al3 Ca0.44 Fe0.04 Na3.16 O15.45 Si3 | P 63 | 12.75; 12.75; 5.14 90; 90; 120 | 723.626 | Jarchow, O. Atomanordnung und Strukturverfeinerung von Cancrinit Zeitschrift fur Kristallographie, 1965, 122, 407-422 |
| 9015277 | CIF | La0.3 Nb2 O6 Sr0.7 | P n m a | 11.053; 7.64; 5.556 90; 90; 90 | 469.176 | 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 |
| 9015279 | CIF | Nb2 Nd0.67 O6 | P m m m | 3.8809; 3.9049; 7.838 90; 90; 90 | 118.781 | 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: Nd2/3-x Na3x Nb2O6 synthesized at 1330 deg C Note: x = 0 Inorganic Materials, 2004, 40, 1324-1330 |
| 9015281 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0845; 5.477; 9.8785 90; 90; 90 | 870.245 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 5.145 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015282 | CIF | Fe2.856 H6.73 Na0.75 O14 S2 | C 1 2/m 1 | 12.74852; 7.34697; 6.98243 90; 127.197; 90 | 520.945 | Scarlett, N. V. Y.; Grey, I. E.; Brand, H. E. A. Ordering of iron vacancies in monoclinic jarosites Note: T = 95 C American Mineralogist, 2010, 95, 1590-1593 |
| 9015284 | CIF | C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3 | P 63 | 12.447; 12.447; 5.006 90; 90; 120 | 671.662 | Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F. High-pressure study of a natural cancrinite Note: P = 2.33 GPa American Mineralogist, 2012, 97, 872-882 |
| 9015285 | CIF | Mg1.9 O4 Si | F d -3 m :2 | 8.086; 8.086; 8.086 90; 90; 90 | 528.69 | 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 = 350 K American Mineralogist, 2012, 97, 573-582 |
| 9015286 | CIF | B Ca H O5 Si | P 1 21/c 1 | 4.833; 7.6074; 9.631 90; 90.175; 90 | 354.097 | 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 = 250 K American Mineralogist, 2010, 95, 1413-1421 |
| 9015291 | CIF | Al1.461 Fe0.538 Mg1.001 O4 | F d -3 m :2 | 8.169; 8.169; 8.169 90; 90; 90 | 545.138 | 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 550 C Annealing time = 960 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015293 | CIF | Cu2 Se | F m -3 m | 5.787; 5.787; 5.787 90; 90; 90 | 193.803 | 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: Cu2Se (high) Model 1, T = 433 K Journal of Solid State Chemistry, 1991, 93, 202-211 |
| 9015294 | CIF | Al3 Ca2 H O13 Si3 | P n m a | 16.0796; 5.4721; 9.869 90; 90; 90 | 868.365 | Alvaro, M.; Angel, R. J.; Camara, F. High-pressure behavior of zoisite Note: P = 5.533 GPa American Mineralogist, 2012, 97, 1165-1176 |
| 9015295 | CIF | C H O4 Tm | P 21 21 21 | 6.9028; 4.7833; 8.5086 90; 90; 90 | 280.938 | Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S. Crystal chemistry of RE(CO3)OH Zeitschrift fur Kristallographie, 2007, 222, 326-334 |
| 9015296 | CIF | Cl2 Fe | R -3 m :H | 3.598; 3.598; 17.481 90; 90; 120 | 195.983 | Vettier, C.; Yelon, W. B. The structure of FeCl2 at high pressures Note: P = 1.04 kbar Journal of Physics and Chemistry of Solids, 1975, 36, 401-405 |
| 9015299 | CIF | Nb2 O6 Sr | P n m a | 10.9862; 7.7223; 5.5944 90; 90.372; 90 | 474.612 | 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 |
| 9015302 | CIF | As Pb S4 Sb | P 1 21/c 1 | 8.527; 7.971; 20.102 90; 101.814; 90 | 1337.36 | Makovicky, E.; Topa, D.; Tajjedin, H.; Rastad, E.; Yaghubpur, A. The crystal structure of guettardite, PbAsSbS4, and the twinnite-guettardite problem The Canadian Mineralogist, 2012, 50, 253-265 |
| 9015304 | CIF | Al2 Cu0.12 Mg0.88 O4 | F d -3 m :2 | 8.0857; 8.0857; 8.0857 90; 90; 90 | 528.631 | Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl30bw American Mineralogist, 2012, 97, 1821-1827 |
| 9015305 | CIF | Al0.37 Ca2 Fe1.63 O5 | P n m a | 5.3769; 14.6032; 5.5712 90; 90; 90 | 437.45 | 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 = 0.37 Note: P = 2.015 GPa Physics and Chemistry of Minerals, 2008, 35, 493-504 |
| 9015308 | CIF | Mg O6 Sb2 | P 42/m n m | 4.63; 4.63; 9.21 90; 90; 90 | 197.434 | Bystrom, A.; Hok, B.; Mason, B. The crystal structure of zinc metantimonate and similar compounds Arkiv for Kemi, Mineralogi och Geologi, 1942, 1-8 |
| 9015309 | CIF | O2 Si | P 1 21/c 1 | 7.803; 4.382; 8.366 90; 118.7; 90 | 250.913 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 10.1 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9015312 | CIF | As2 Ca H4 O8 | P -1 | 8.558; 7.697; 5.721 92.35; 109.52; 109.59 | 329.621 | Ferraris, G.; Jones, D. W.; Yerkess, J. A neutron diffraction study of the crystal structure of calcium bis(dihydrogen arsenate), Ca(H2AsO4)2 Acta Crystallographica, Section B, 1972, 28, 2430-2437 |
| 9015314 | CIF | Ca H8 O15 Si4 V | P c m n | 9.7614; 13.6666; 9.6049 90; 90; 90 | 1281.34 | Hughes, J. M.; Derr, R. S.; Cureton, F.; Campana, C. F.; Druschel, G. The crystal structure of cavansite: location of the H2O molecules and hydrogen atoms in Ca(VO)(Si4O10)*4H2O Note: T = 296 K The Canadian Mineralogist, 2011, 49, 1267-1272 |
| 9015315 | CIF | Al2.036 Ca1.16 Fe0.964 H Mn0.128 Nd0.712 O13 Si3 | P 1 21/m 1 | 8.8897; 5.7308; 10.101 90; 115.166; 90 | 465.751 | Skoda, R.; Cempirek, J.; Filip, J.; Novak, M.; Veselovsky, F.; Ctvrtlik, R. Allanite-(Nd), CaNdAl2Fe2+(SiO4)(Si2O7)O(OH), a new mineral from Askagen, Sweden American Mineralogist, 2012, 97, 983-988 |
| 9015316 | CIF | C0.767 H1.998 Al2.82 Ca0.6 Na3.155 O15.3 Si3.18 | P 63 | 12.625; 12.625; 5.122 90; 90; 120 | 707.022 | Pekov, I. V.; Olysych, L. V.; Chukanov, N. V.; Zubkova, N. V.; Pushcharovsky D Yu; Van, K. V.; Giester, G.; Tillmanns, E. Crystal chemistry of cancrinite-group minerals with an AB-type framework: A review and new data. I. Chemical and structural variations Note: Sample# tz3/1 The Canadian Mineralogist, 2012, 49, 1129-1150 |
| 9015318 | CIF | Ca0.74 Ce0.03 K0.6 Mg0.04 Mn0.2 Na0.9 O20 Pb0.01 Si8 Th0.88 | P 4/m c c | 7.58; 7.58; 14.77 90; 90; 90 | 848.631 | Prichard, P.; Perrault, G. Structure cristalline de l'ekanite de St-Hilaire, P.Q. Acta Crystallographica, Section B, 1972, 28, 1994-1999 |
| 9015320 | CIF | C Ca0.997 O3 Sr0.003 | P m c n | 4.9615; 7.9629; 5.7428 90; 90; 90 | 226.886 | Ye, Y.; Smyth, J. R.; Boni, P. Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 300 K, high-temperature experiment American Mineralogist, 2012, 97, 707-712 |
| 9015321 | CIF | Fe | F m -3 m | 3.485; 3.485; 3.485 90; 90; 90 | 42.326 | 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 M620, P = 24.19 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015324 | CIF | C Fe O3 | R -3 c :H | 4.664; 4.664; 15.168 90; 90; 120 | 285.743 | 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 P2, P = 3.48 GPa Physical Review B, 2010, 82, 064110-064118 |
| 9015325 | CIF | Al0.76 Cr0.24 Nb O4 | C 1 2/m 1 | 12.1881; 3.7726; 6.5033 90; 107.7; 90 | 284.872 | Ardit, M.; Dondi, M.; Cruciani, G. Structural stability, cation ordering, and local relaxation along the AlNbO4-Al0.5Cr0.5NbO4 join Note: Sample label: N25 American Mineralogist, 2012, 97, 910-917 |
| 9015326 | CIF | Al7 Ca6.66 Cl1.11 O16 | I -4 3 d | 11.98; 11.98; 11.98 90; 90; 90 | 1719.37 | Ma, C.; Connolly, H. C.; Beckett, J. R.; Tschauner, O.; Rossman, G. R.; Kampf, A. R.; Zega, T. J.; Sweeney Smith, S. A.; Schrader, D. L. Brearleyite, Ca12Al14O32Cl2, a new alteration mineral from the NWA 1934 meteorite American Mineralogist, 2011, 96, 1199-1206 |
| 9015327 | CIF | As Cu2 H7 O8 | P 21 21 21 | 10.506; 10.506; 6.103 90; 90; 90 | 673.625 | Eby, R. K.; Hawthorne, F. C. Euchroite, a heteropolyhedral framework structure Acta Crystallographica, Section C, 1989, 45, 1479-1482 |
| 9015328 | CIF | S Ti | R -3 m :H | 3.417; 3.417; 26.455 90; 90; 120 | 267.503 | Hahn, H.; Harder, B. Zur Kristallstruktur der Titansulfide Zeitschrift fur Anorganische und Allgemeine Chemie, 1956, 288, 241-256 |
| 9015329 | CIF | C0.55 Na4 O7.45 S1.45 | P m n m :2 | 5.177; 9.224; 7.066 90; 90; 90 | 337.42 | Giuseppetti, G.; Mazzi, F.; Tadini, C. The crystal structure of synthetic burkeite Sample B Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Neues Jahrbuch fur Mineralogie, Monatshefte, 1988, 1988, 203-221 |
| 9015332 | CIF | Hg I2 | P 42/n m c :2 | 4.358; 4.358; 12.3 90; 90; 90 | 233.604 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 10 K, powder neutron data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9015333 | CIF | F H Mg O | P n m a | 10.1299; 3.0723; 4.676 90; 90; 90 | 145.527 | Crichton, W. A.; Parise, J. B.; Muller, H.; Breger, J.; Marshall, W. G.; Welch, M. D. Synthesis and structure of magnesium hydroxide fluoride, Mg(OH)F: a topological intermediate between brucite- and rutile-type structures Mineralogical Magazine, 2012, 76, 25-36 |
| 9015334 | CIF | Cr6 Fe18 Mo5 | I -4 3 m | 8.92; 8.92; 8.92 90; 90; 90 | 709.732 | Kasper, J. S. The ordering of atoms in the chi-phase of the iron-chromium-molybdenum system Acta Metallurgica, 1954, 2, 456-461 |
| 9015335 | CIF | Fe0.46 Mg0.04 Mn0.16 S Zn0.32 | P 63 m c | 3.8357; 3.8357; 6.3002 90; 90; 120 | 80.274 | Ma, C.; Beckett, J. R.; Rossman, G. R. Buseckite, (Fe,Zn,Mn)S, a new mineral from the Zaklodzie meteorite American Mineralogist, 2012, 97, 1226-1233 |
| 9015337 | CIF | Fe2.97 Mn0.024 Ni0.027 Si | F m -3 m | 5.67; 5.67; 5.67 90; 90; 90 | 182.284 | Yu, Z. Two new minerals gupeiite and xifengite in cosmic dusts from Yanshan Acta Petrologica Mineralogica et Analytica, 1984, 3, 231-238 |
| 9015338 | CIF | Ba Cu O10 Si4 | P 4/n c c :2 | 7.43602; 7.43602; 16.1302 90; 90; 90 | 891.91 | Knight, K. S.; Henderson, C. M. B.; Clark, S. M. Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = 1.000 European Journal of Mineralogy, 2010, 22, 411-423 |
| 9015340 | CIF | Cr H O2 | P 21 n m | 4.8623; 4.2972; 2.9567 90; 90; 90 | 61.778 | Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N. Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9 European Journal of Mineralogy, 2012, 24, 839-850 |
| 9015341 | CIF | Mg1.92 O4 Si | F d -3 m :2 | 8.103; 8.103; 8.103 90; 90; 90 | 532.032 | 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 = 537 K American Mineralogist, 2012, 97, 573-582 |
| 9015343 | CIF | Ca2 Fe2 H O15 Si5 | P 1 | 12.18; 6.68; 7.5 93.98; 112.32; 86.05 | 562.539 | Kosoi, A. L. Structure of babingtonite Kristallografiya, 1975, 20, 730-739 |
| 9015344 | CIF | Fe O4 Sb2 | P 42/m b c | 8.5758; 8.5758; 5.8983 90; 90; 90 | 433.787 | Hinrichsen, B.; Dinnebier, R. E.; Rajiv, P.; Hanfland, M.; Grzechnik, A.; Jansen, M. Advances in data reduction of high-pressure X-ray powder diffraction data from two-dimensional detectors: a case study of schafarzikite (FeSb2O4) Note: P = 0.5 GPa Journal of Physics: Condensed Matter, 2006, 18, S1021-S1037 |
| 9015346 | CIF | Ni Ti0.885 | P -3 | 7.3715; 7.3715; 5.302 90; 90; 120 | 249.507 | Sitepu, H. Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy Powder Diffraction, 2007, 22, 209-218 |
| 9015347 | CIF | Al7.251 B3 Ca0.638 F0.666 Fe0.132 H3.333 Li1.566 Mg0.015 Mn0.03 Na0.284 O30.333 Pb0.006 Si6 Ti0.006 | R 3 m :H | 15.8399; 15.8399; 7.103 90; 90; 120 | 1543.4 | 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: L21, disordered model The Canadian Mineralogist, 2011, 49, 63-88 |
| 9015349 | CIF | Pb4.819 S11 Sb4.161 | P b n m | 21.285; 23.525; 4.019 90; 90; 90 | 2012.43 | Bente, K.; Meier-Salimi M Substitution experiments and structure investigations on Ag-Tl-bearing boulangerites - a contribution to the rayite problem Neues Jahrbuch fur Mineralogie, Abhandlungen, 1991, 163, 212-216 |
| 9015351 | CIF | Al12 H46.48 K7.447 O95.24 Si24 Tl3.813 | P 6/m m m | 18.5432; 18.5432; 7.531 90; 90; 120 | 2242.6 | Artioli, G.; Kvick, A. Synchrotron X-ray Rietveld study of perlialite, the natural counterpart of synthetic zeolite-L Sample: data collected with conventional diffractometer radiation European Journal of Mineralogy, 1990, 2, 749-759 |
| 9015352 | CIF | Al1.609 Fe0.391 Mg O4 | F d -3 m :2 | 8.1466; 8.1466; 8.1466 90; 90; 90 | 540.666 | 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 = 35,340 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015353 | CIF | Al9 Ca Fe H Mg O17 | P 1 c 1 | 5.6973; 17.1823; 23.5718 90; 90; 90 | 2307.51 | Rastsvetaeva, R. K.; Aksenov, S. M.; Verin, I. A. Crystal structure of complex natural aluminum magnesium calcium iron oxide Crystallography Reports, 2010, 55, 563-568 |
| 9015355 | CIF | O2 Ti | P 1 21/c 1 | 4.589; 4.849; 4.736 90; 98.6; 90 | 104.201 | Swamy, V.; Dubrovinsky, L. S.; Dubrovinskaia, N. A.; Langenhorst, F.; Simionovici, A. S.; Drakopoulos, M.; Dmitriev, V.; Weber, H. P. Size effects on the structure and phase transition behavior of baddeleyite TiO2 Solid State Communications, 2005, 134, 541-546 |
| 9015358 | CIF | Fe S4 Sb2 | P n a m | 10.9404; 13.3719; 3.6973 90; 90; 90 | 540.893 | Periotto, B.; Balic-Zunic T; Nestola, F. The role of the Sb3+ lone-electron pairs and Fe2+ coordination in the high-pressure behavior of berthierite Note: P = 6.62 GPa the Baia Mare metallogenic area, Romania The Canadian Mineralogist, 2012, 50, 201-218 |
| 9015359 | CIF | Ag2.33 Bi3.67 Pb0.25 S8 Sb0.75 | C 1 2/m 1 | 13.515; 4.098; 26 90; 93; 90 | 1438.02 | Ilinca, 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, (4,8L) Neues Jahrbuch fur Mineralogie, Monatshefte, 1997, 1997, 337-353 |
| 9015362 | CIF | Bi27 Pb25 S62.39 Se3.61 | P 1 21/m 1 | 38.86; 4.09; 39.83 90; 102.3; 90 | 6185.16 | Topa, D.; Makovicky, E.; Dittrich, H. The crystal structure of 7H:12Q cannizzarite from Vulcano, Italy The Canadian Mineralogist, 2010, 48, 483-495 |
| 9015363 | CIF | Mg1.9 O4 Si | F d -3 m :2 | 8.0931; 8.0931; 8.0931 90; 90; 90 | 530.084 | 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 = 443 K American Mineralogist, 2012, 97, 573-582 |
| 9015364 | CIF | Ca3.841 F2.5 Fe0.402 Mn0.116 Na1.733 Nb0.461 O15.5 Si4 Ti0.539 Zr0.884 | P 1 21 1 | 10.80498; 10.25458; 7.28606 90; 109.117; 90 | 762.779 | Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N. Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea The Canadian Mineralogist, 2012, 50, 593-609 |
| 9015365 | CIF | Fe Ge2 Li O6 | P 1 21/c 1 | 9.765; 8.721; 5.301 90; 108.49; 90 | 428.133 | Nestola, F.; Redhammer, G. J.; Pamato, M. G.; Secco, L.; Dal Negro, A. High-pressure phase transformation in LiFeGe2O6 pyroxene Note: P = 4.16 GPa American Mineralogist, 2009, 94, 616-621 |
| 9015366 | CIF | Al1.609 Fe0.389 Mg O4 | F d -3 m :2 | 8.1472; 8.1472; 8.1472 90; 90; 90 | 540.786 | 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 = 0 min European Journal of Mineralogy, 2012, 24, 633-643 |
| 9015367 | CIF | As H3 O6 Zn2 | P 1 21/c 1 | 12.76; 7.93; 10.21 90; 104.4; 90 | 1000.66 | Pushcharovskii, D. Y.; Pobedimskaya, E. A.; Belov, N. V. The crystal structure of legrandite Zn2[AsO4]OH*H2O Soviet Physics - Doklady, 1971, 16, 419-421 |
| 9015368 | CIF | Al0.41 Ca1.5 Fe0.16 Mg0.39 Na0.5 O7 Si2 | P -4 21 m | 7.76; 7.76; 5.029 90; 90; 90 | 302.834 | Mokeeva, V.; Makarov, E. Isomorph in melilites: refining of crystal structure of akermanite and intermediate melilite Geokhimiya, 1979, 10, 1541-1544 |
| 9015369 | CIF | Al2 Co0.25 O4 Zn0.75 | F d -3 m :2 | 8.09014; 8.09014; 8.09014 90; 90; 90 | 529.503 | Ardit, M.; Cruciani, G.; Dondi, M. Structural relaxation in tetrahedrally coordinated Co2+ along the gahnite-Co-aluminate spinel solid solution Note: inversion parameter = 0.025, Co content = 0.25 apfu American Mineralogist, 2012, 97, 1394-1401 |
| 9015371 | CIF | C Na1.947 O3 | C 1 2/m 1 | 8.8818; 5.235; 6.0455 90; 101.464; 90 | 275.485 | 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 |
| 9015375 | CIF | Cl H | F m -3 m | 5.475; 5.475; 5.475 90; 90; 90 | 164.117 | Sandor, E.; Farrow, R. F. C. Crystal structure of solid hydrogen chloride and deuterium chloride Note T = 118.5 K Nature, 1967, 213, 171-172 |
| 9015379 | CIF | H0.88 K0.78 N0.22 O4 P | I -4 2 d | 7.4398; 7.4398; 7.0454 90; 90; 90 | 389.967 | Ono, Y.; Yamada, N.; Hikita, T. Structure refinements of the mixed crystal K0.78(NH4)0.22H2PO4 in the temperature range from 20 K to 250K Note: T = 20 K Journal of the Physical Society of Japan, 1991, 60, 2673-2677 |
| 9015383 | CIF | B Ca H O3 | P 1 21/m 1 | 6.6798; 5.4208; 3.5466 90; 93.245; 90 | 128.216 | Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X. Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 173 K The Canadian Mineralogist, 2011, 49, 823-834 |
| 9015384 | CIF | Al3.8 Be0.16 Fe0.3 H1.292 Li0.06 Mg1.66 Mn0.02 Na0.235 O18.646 Si5 | C c c m | 17.0046; 9.73133; 9.31989 90; 90; 90 | 1542.23 | Sokol, E. V.; Seryotkin, Y. V.; Bul'bak, T. A. Na-Li-Be-rich cordierite from the Murzinka pegmatite field, Middle Urals, Russia European Journal of Mineralogy, 2010, 22, 565-575 |
| 9015385 | CIF | Ca1.78 Fe1.72 H2 K0.08 Mg3.5 Na1.06 O24 Si8 | C 1 2/m 1 | 9.691; 17.831; 5.247 90; 105.92; 90 | 871.908 | 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 = 3.74 GPa American Mineralogist, 2010, 95, 1042-1051 |
| 9015388 | CIF | Cu2.64 Mo0.04 O8 V1.94 Zn0.36 | P 1 21/c 1 | 6.2695; 8.0195; 6.362 90; 111.96; 90 | 296.662 | Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Boldyreva, M. M.; Pushcharovsky, D. Y.; Nekrasov, A. N. Pseudolyonsite, Cu3(VO4)2, a new mineral species from the Tolbachik volcano, Kamchatka Peninsula, Russia European Journal of Mineralogy, 2011, 23, 475-481 |
| 9015390 | CIF | C Ca O3 | R -3 c :H | 4.99029; 4.99029; 17.0687 90; 90; 120 | 368.114 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: March model Powder Diffraction, 2009, 24, 315-326 |
| 9015391 | CIF | Ba Cl0.23 Fe3 H0.77 O8.77 Si2 | C 1 2/m 1 | 20.3459; 7.0119; 5.3879 90; 94.874; 90 | 765.877 | Kampf, A. R.; Roberts, A. C.; Venance, K. E.; Dunning, G. E.; Walstrom, R. E. Ferroericssonite, the Fe2+ analogue of ericssonite, from eastern Fresno County, California, U.S.A. The Canadian Mineralogist, 2011, 49, 587-594 |
| 9015392 | CIF | O2 Si | P 1 21/c 1 | 7.894; 4.456; 8.582 90; 119.7; 90 | 262.22 | Dera, P.; Lazarz, J. D.; Prakapenka, V. B.; Barkley, M.; Downs, R. T. New insights into the high-pressure polymorphism of SiO2 cristobalite Note: P = 7.4 GPa Physics and Chemistry of Minerals, 2011, 38, Online-first |
| 9015393 | CIF | Al2 Mg3 O12 Si3 | I a -3 d | 11.469; 11.469; 11.469 90; 90; 90 | 1508.61 | 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 = 423.3 K American Mineralogist, 2011, 96, 1593-1605 |
| 9015396 | CIF | Fe2 Mn3 O12 Si3 | I a -3 d | 11.8288; 11.8288; 11.8288 90; 90; 90 | 1655.09 | Ottonello, G.; Borketa, M.; Sciuto, P. F. Parameterization of energy and interactions in garnets: End-member properties American Mineralogist, 1996, 81, 429-447 |
| 9015398 | CIF | Bi2 Pb3 S6 | B b m m | 13.54; 20.637; 4.1103 90; 90; 90 | 1148.52 | 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 = 0.0001 GPa Note: occupancies not refined Inorganic Chemistry, 2008, 47, 6756-6762 |
| 9015401 | CIF | Mo O3 | P b n m | 3.9624; 13.86; 3.6971 90; 90; 90 | 203.041 | Sitepu, H. Texture and structural refinement using neutron diffraction data from molybdite (MoO3) and calcite (CaCO3) powders and a Ni-rich Ni50.7Ti49.30 alloy Note: Generalized spherical-harmonic model Powder Diffraction, 2009, 24, 315-326 |
| 9015402 | CIF | Ba9 O112 Ti36.4 V19.6 | P 4/m | 10.126; 10.126; 41.41 90; 90; 90 | 4246.01 | Shi, N.; Ma, Z.; Liu, W. Crystal structure determination of ankangite with one dimensional incommensurate modulation Acta Petrologica et Mineralogica, 1991, 10, 233-245 |
| 9015403 | CIF | As S | P 1 21/n 1 | 8.876; 12.887; 6.272 90; 106.85; 90 | 686.622 | 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 = 2.82 GPa Physics and Chemistry of Minerals, 2012, 39, 399-412 |
| 9015404 | CIF | Ca O3 Sn | P b n m | 5.532; 5.681; 7.906 90; 90; 90 | 248.464 | Vegas, A.; Vallet-Regi, M.; Gonzalez-Calbet, J. M.; Alario-Franco, M. A. The ASnO3 (A = Ca, Sr) perovskites Acta Crystallographica, Section B, 1986, 42, 167-172 |
| 9015406 | CIF | Fe | F m -3 m | 3.545; 3.545; 3.545 90; 90; 90 | 44.55 | 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 = 13.63 GPa, T = 1273 K American Mineralogist, 2012, 97, 1417-1420 |
| 9015407 | CIF | Fe1.001 Nb0.13 O6 Ta1.871 | P 42/m n m | 4.7531; 4.7531; 9.2219 90; 90; 90 | 208.341 | Zema, M.; Tarantino, S. C.; Giorgiani, A. Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim19_q2, treated at 750 C for 80 min Mineralogical Magazine, 2006, 70, 319-328 |
| 9015409 | CIF | Al8 H1.12 Na7.69 O48.56 Si16 | R 3 :H | 18.468; 18.468; 11.601 90; 90; 120 | 3426.62 | Likhachieva, A. Y.; Rashchenko, S. V.; Seryotkin, Y. V. The deformation mechanism of a pressure-induced phase transition in dehydrated analcime Note: dehydrated, P = 0.9 GPa Mineralogical Magazine, 2012, 76, 129-142 |
| 9015410 | CIF | Ag1.05 Bi7.64 Cu0.56 S11 | C 1 2/m 1 | 13.38; 4.0492; 18.69 90; 105.494; 90 | 975.793 | Makovicky, E.; Paar, W. H.; Putz, H.; Zagler, G. Dantopaite, Ag5Bi13S22, the 6P natural member of the pavonite homologous series, from Erzwies, Austria The Canadian Mineralogist, 2010, 48, 467-481 |
| 9015411 | CIF | Al2 Ca0.889 H4 O10 Si2 Sr0.111 | C m c m | 5.8439; 8.8112; 13.1618 90; 90; 90 | 677.724 | Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M. Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU63 American Mineralogist, 2010, 95, 724-735 |
| 9015412 | CIF | H8 O13 P2 Zn3 | P b n m | 5.0266; 10.606; 18.2946 90; 90; 90 | 975.324 | Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wenger, G. The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates Note: beta-hopeite Chemistry - A European Journal, 2004, 10, 2795-2803 |
| 9015413 | CIF | Fe1.74 H12 K2.92 Mg0.14 Mn1.36 Na2.44 O28 Si8 Ti0.76 | P -1 | 10.1978; 12.0155; 5.2263 103.439; 96.02; 91.683 | 618.46 | Khomyakov, A. P.; Camara, F.; Sokolova, E.; Abdu, Y.; Hawthorne, F. C. Paraershovite, Na3K3Fe3+2(Si4O10OH)2(OH)2(H2O)4, a new mineral species from the Khibina Alkaline massif, Kola Peninsula, Russia: Description and crystal structure The Canadian Mineralogist, 2010, 48, 279-290 |
| 9015414 | CIF | Hg I2 | P 42/n m c :2 | 4.3675; 4.3675; 12.47 90; 90; 90 | 237.866 | Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P. Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 293 K, single crystal X-ray data Acta Crystallographica, Section B, 2007, 63, 828-835 |
| 9015415 | CIF | Al6.393 B3.102 Fe2.106 H3.65 Li0.09 Mg0.171 Mn0.081 Na0.49 O31 Si5.898 Zn0.159 | R 3 m :H | 15.972; 15.972; 7.16 90; 90; 120 | 1581.84 | Grice, J. D.; Ercit, T. S. Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Schorl CROSS Neues Jahrbuch fur Mineralogie, Abhandlungen, 1993, 165, 245-266 |
| 9015417 | CIF | Al0.42 Ca0.04 Fe1.3 H2 K0.78 Mg0.58 O12 Si3.68 Ti0.02 | C 1 2/m 1 | 5.227; 9.053; 10.153 90; 100.53; 90 | 472.349 | Zhukhlistov, A. P. Crystal structure of celadonite from the electron diffraction data Crystallography Reports, 2005, 50, 902-906 |
| 9015419 | CIF | Ca0.45 Ce0.275 Dy0.006 F3 Gd0.033 La0.143 Na0.45 Nd0.099 Sm0.011 Y0.044 | P 63/m | 6.0861; 6.0861; 3.681 90; 90; 120 | 118.08 | Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Roberts, A. C.; Grice, J. D. The single-crystal X-ray structure of gagarinite-(Ce) The Canadian Mineralogist, 2011, 49, 1111-1114 |
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