Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9017315 | CIF | H16 Mg N O10 P | P m n 21 | 6.955; 6.142; 11.218 90; 90; 90 | 479.206 | Abbona, F.; Calleri, M.; Ivaldi, G. Synthetic struvite MgNH4PO4*6H2O: Correct polarity and surface features of some complementary forms Acta Crystallographica, Section B, 1984, 40, 223-227 |
| 9017316 | CIF | C H4 N2 O | P -4 21 m | 5.584; 5.584; 4.689 90; 90; 90 | 146.208 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 123 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
| 9017317 | CIF | C H4 N2 O | P -4 21 m | 5.57; 5.57; 4.688 90; 90; 90 | 145.445 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 60 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
| 9017318 | CIF | C H4 N2 O | P -4 21 m | 5.565; 5.565; 4.684 90; 90; 90 | 145.06 | Swaminathan, S.; Craven, B. M. The crystal structure and molecular thermal motion of urea at 12, 60 and 123 K from neutron diffraction Note: neutron data, T = 12 K Acta Crystallographica, Section B, 1984, 40, 300-306 |
| 9017319 | CIF | F3 La | P -3 c 1 | 7.185; 7.185; 7.351 90; 90; 120 | 328.648 | Zalkin, A.; Templeton, D. H. Refinement of the trigonal structure of lanthanum trifluoride with neutron diffraction data Note: neutron data Acta Crystallographica, Section B, 1985, 41, 91-93 |
| 9017320 | CIF | C14 H10 | P 1 21 1 | 8.441; 6.14; 9.438 90; 97.96; 90 | 484.437 | Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B. Oriental disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K Acta Crystallographica, Section B, 1990, 46, 830-832 |
| 9017321 | CIF | As K O5 Ti | P n a 21 | 13.138; 6.582; 10.787 90; 90; 90 | 932.798 | Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N. Structure and non-linear optical properties of KTiOAsO4 Acta Crystallographica, Section B, 1994, 50, 655-662 |
| 9017322 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2055; 10.2055; 7.4483 90; 90; 120 | 671.825 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017323 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2224; 10.2224; 7.4494 90; 90; 120 | 674.152 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017324 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2323; 10.2323; 7.4533 90; 90; 120 | 675.812 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017325 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2415; 10.2415; 7.4594 90; 90; 120 | 677.582 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017326 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2055; 10.2055; 7.4483 90; 90; 120 | 671.825 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017327 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2055; 10.2055; 7.4483 90; 90; 120 | 671.825 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 298 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017328 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2224; 10.2224; 7.4494 90; 90; 120 | 674.152 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017329 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2224; 10.2224; 7.4494 90; 90; 120 | 674.152 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 373 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017330 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2323; 10.2323; 7.4533 90; 90; 120 | 675.812 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017331 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2323; 10.2323; 7.4533 90; 90; 120 | 675.812 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 423 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017332 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2415; 10.2415; 7.4594 90; 90; 120 | 677.582 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017333 | CIF | As3 Cl0.74 O12.13 Pb5 | P 63/m | 10.2415; 10.2415; 7.4594 90; 90; 120 | 677.582 | Baikie, T.; Ferraris, C.; Klooster, W. T.; Madhavi, S.; Pramana, S. S.; Pring, A.; Schmidt, G.; White, T. J. Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2 Note: T = 473 K Acta Crystallographica, Section B, 2008, 64, 34-41 |
| 9017334 | CIF | C H O4 Pb1.5 | R -3 m :H | 5.2475; 5.2475; 23.6795 90; 90; 120 | 564.687 | Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R. Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica, Section B, 2018, 74, 182-195 |
| 9017335 | CIF | C H O4 Pb1.5 | R -3 m :H | 5.257; 5.257; 23.636 90; 90; 120 | 565.693 | Siidra, O.; Nekrasova, D.; Depmeier, W.; Chukanov, N.; Zaitsev, A.; Turner, R. Hydrocerussite-related minerals and materials: structural principles, chemical variations and infrared spectroscopy Acta Crystallographica, Section B, 2018, 74, 182-195 |
| 9017336 | CIF | C2.3 Ba3 Ca26.433 F10.375 Na0.567 O68.375 P7.4 Si13 | R -3 m :H | 7.1255; 7.1255; 66.2902 90; 90; 120 | 2914.81 | Kruger, B.; Kruger, H.; Galuskin, E. V.; Galuskina, I. O.; Vapnik, Y.; Olieric, V.; Pauluhn, A. Aravaite, Ba2Ca18(SiO4)6(PO4)3(CO3)F3O: modular structure and disorder of a new mineral with single and triple antiperovskite layers Acta Crystallographica, Section B, 2018, 74, 492-501 |
| 9017337 | CIF | O2 Si | C 2 2 21 | 8.7549; 5.0335; 8.2118 90; 90; 90 | 361.876 | Lee, S.; Xu, H. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite Acta Crystallographica, Section B, 2019, 75 |
| 9017338 | CIF | O2 Si | P 41 21 2 | 4.9727; 4.9727; 6.9257 90; 90; 90 | 171.257 | Lee, S.; Xu, H. Using powder XRD and pair distribution function to determine anisotropic atomic displacement parameters of orthorhombic tridymite and tetragonal cristobalite Acta Crystallographica, Section B, 2019, 75 |
| 9017339 | CIF | Ca H1.62 O4.81 S | P 31 2 1 | 6.968; 6.968; 6.41 90; 90; 120 | 269.529 | Abriel, W. Calcium sulfat subhydrat, CaSO4.0,8H2O Acta Crystallographica, Section C, 1983, 39, 956-958 |
| 9017340 | CIF | Bi4 In2 Pb4 S13 | P b a m | 21.344; 26.494; 4.002 90; 90; 90 | 2263.08 | Kramer, V. Lead indium bismuth chalcogenides. III. Structure of Pb4In2Bi4S13 Acta Crystallographica, Section C, 1986, 42, 1089-1091 |
| 9017341 | CIF | H24 Mn Na3 O22 P3 | P 1 21/n 1 | 14.763; 9.325; 15.14 90; 89.87; 90 | 2084.24 | Lightfoot, P.; Cheetham, A. K. Structure of manganese(II) trisodium tripolyphosphate dodecahydrate Locaality: synthetic Acta Crystallographica, Section C, 1987, 43, 4-7 |
| 9017344 | CIF | C H6 Mn N2 O14 P3 | P -1 | 9.747; 9.751; 7.689 99.92; 105.88; 100.08 | 673.084 | Averbuch-Pouchot M T; Durif, A. Crystal chemistry of cyclo-hexaphosphates. IX. structure of tetraammonium dimanganese cyclo-hexaphosphate oxalate hexahydrate Acta Crystallographica, Section C, 1990, 46, 965-968 |
| 9017346 | CIF | Al3 Ge2 Ni Y3 | P -6 2 m | 6.9481; 6.9481; 4.1565 90; 90; 90 | 200.66 | Zhao, J. T.; Parthe, E. Y3NiAl3Ge2, a quaternary substitution variant of the hexagonal Fe2P type Acta Crystallographica, Section C, 1990, 46, 2273-2276 |
| 9017347 | CIF | C27 V2 | C c c e :1 | 19.529; 29.559; 16.446 90; 90; 90 | 9493.58 | Braga, D.; Sabatino, P. Bis(arene)vanadium complexes. A structural study Sample: 1 Acta Crystallographica, Section C, 1990, 46, 2308-2312 |
| 9017348 | CIF | C2 H4 Mn O6 | C 1 2/c 1 | 11.7648; 5.644; 9.6367 90; 125.843; 90 | 518.704 | Soleimannejad, J.; Aghabozorg, H.; Hooshmand, S.; Ghadermaz, M.; Gharamaleki, J. A. The monoclinic polymorph of catena-poly [[diaquamanganese(II)]-mu-oxalato-4O1,O2:O1',O2'] Acta Crystallographica, Section E, 2007, 63, m2389-m2390 |
| 9017349 | CIF | Ca7 F0.4 Fe0.04 H1.4 K0.89 Li3 Na0.12 O37.4 Si12 Sn0.02 Ti1.8 Zr0.14 | C 1 2/c 1 | 16.9093; 9.7287; 20.9019 90; 112.396; 90 | 3179.12 | Andrade, M. B.; Doell, D.; Downs, R. T.; Yang, H. Redetermination of katayamalite, KLi3Ca7Ti2(SiO3)12(OH)2 Acta Crystallographica, Section E, 2013, 69, i41-i41 |
| 9017350 | CIF | As2.484 Ca0.43 Cu6 Dy0.01 Er0.02 H12.002 Ho0.01 O21.001 P0.516 Y0.52 Yb0.01 | P 63/m | 13.5059; 13.5059; 5.8903 90; 90; 120 | 930.497 | Morrison, S. M.; Domanik, K. J.; Origlieri, M. J.; Downs, R. T. Agardite-(Y), Cu2+6Y(AsO4)3(OH)6*3H2O Acta Crystallographica, Section E, 2013, 69, i61-i62 |
| 9017351 | CIF | Al0.534 Ca1.97 Fe1.465 H14 Mg0.5 O20 P3 Sr0.03 | C 1 2/c 1 | 10.1936; 24.1959; 6.3218 90; 91.161; 90 | 1558.91 | Lafuente, B.; Downs, R. T.; Yang H and Jenkins, R. A. Calcioferrite with composition (Ca3.94Sr0.06)Mg1.01(Fe2.93Al1.07)(PO4)6(OH)4*12H2O Acta Crystallographica, Section E, 2014, 70, 116-117 |
| 9017352 | CIF | As0.02 Fe0.09 H Mn0.82 O9 Pb2 V1.98 Zn0.09 | P 1 21/m 1 | 7.6492; 6.1262; 8.9241 90; 112.195; 90 | 387.202 | Lafuente, B.; Downs, R. T. Redetermination of brackebuschite, Pb2Mn3+(VO4)2(OH) Acta Crystallographica, Section E, 2016, 72, 293-296 |
| 9017353 | CIF | Al0.05 Ca1.9 Fe0.07 H8 Mg0.04 Mn1.88 O17 Si4 Sr0.06 | C 1 2 1 | 9.036; 6.1683; 11.9601 90; 91.433; 90 | 666.409 | Fendrich, K. V.; Downs, R. T.; Origlieri, M. J. Redetermination of ruizite, Ca2Mn3+2[Si4O11(OH)](OH)2*2H2O Acta Crystallographica, Section E, 2016, 72, 959-963 |
| 9017354 | CIF | Ca0.968 H4 O8 V1.885 | P -1 | 6.2059; 7.0635; 7.7516 93.166; 96.548; 105.883 | 323.359 | Kobsch, A.; Downs, R. T.; Domanik, K. J. Redetermination of metarossite, CaV5+2O6*2H2O Acta Crystallographica, Section E, 2016, 72, 1280-1284 |
| 9017355 | CIF | Al0.09 Ca1.925 Fe1.615 H K0.015 Mg0.13 Mn0.3 Na0.015 O15 Si4.915 | P -1 | 7.509; 11.697; 6.719 91.433; 93.886; 104.255 | 570.132 | Araki, T.; Zoltai, T. Crystal structure of babingtonite Zeitschrift fur Kristallographie, 1972, 135, 355-373 |
| 9017356 | CIF | C2 Ca Fe0.05 Mg0.94 Mn0.01 O6 | R -3 :H | 4.812; 4.812; 16.02 90; 90; 120 | 321.251 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017357 | CIF | C Fe0.02 Mg0.01 O3 Zn0.97 | R -3 c :H | 4.6526; 4.6526; 15.0257 90; 90; 120 | 281.68 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017358 | CIF | C Fe0.06 Mg0.01 Mn0.93 O3 | R -3 c :H | 4.7682; 4.7682; 15.6354 90; 90; 120 | 307.857 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017359 | CIF | C Ca0.99 Mg0.01 O3 | R -3 c :H | 4.9896; 4.9896; 17.061 90; 90; 120 | 367.846 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017360 | CIF | C Fe0.01 Mg0.99 O3 | R -3 c :H | 4.6328; 4.6328; 15.0129 90; 90; 120 | 279.05 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017361 | CIF | C Fe0.95 Mn0.05 O3 | R -3 c :H | 4.6916; 4.6916; 15.3796 90; 90; 120 | 293.169 | Effenberger, H.; Mereiter, K.; Zemann, J. Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite, smithsonite, and dolomite, with discussion of some aspects of the stereochemistry of calcite type carbonates Zeitschrift fur Kristallographie, 1981, 156, 233-243 |
| 9017362 | CIF | Al H24 N O12 Os8 S2 | P a -3 | 12.242; 12.242; 12.242 90; 90; 90 | 1834.67 | Abdeen, A. M.; Will, G.; Schaefer, W.; Kirfel, A.; Bargouth, M. O.; Recker, K.; Weiss, A. X-ray and neutron diffraction study of alums II. The crystal structure of methylammonium aluminium alum III. The crystal structure of ammonium aluminium alum Sample: X-ray data Zeitschrift fur Kristallographie, 1981, 157, 147-166 |
| 9017363 | CIF | O34 Si17 | P 6/m m m | 13.783; 13.783; 11.19 90; 90; 120 | 1840.98 | Gerke, H.; Gies, H. Studies on clathrasils. IV. Crystal structure of dodecasil 1H, a synthetic clathrate compound of silica Zeitschrift fur Kristallographie, 1984, 166, 11-22 |
| 9017364 | CIF | Al3.71 Ca1.72 Na0.28 O16 Si4.29 | P -1 | 8.188; 12.822; 14.196 93.37; 116.04; 90.87 | 1335.38 | Chiari, G.; Benna, P.; Bruno, E. The structure of bytownite (An85). A new refinement Zeitschrift fur Kristallographie, 1984, 169, 35-49 |
| 9017365 | CIF | Al3.71 Ca1.72 Na0.28 O16 Si4.29 | I -1 | 8.188; 12.822; 14.196 93.37; 116.04; 90.87 | 1335.38 | Chiari, G.; Benna, P.; Bruno, E. The structure of bytownite (An85). A new refinement Zeitschrift fur Kristallographie, 1984, 169, 35-49 |
| 9017368 | CIF | As2 Te3 | C 1 2/m 1 | 14.3573; 4.0199; 9.899 90; 95.107; 90 | 569.052 | Stergiou, A. C.; Rentzeperis, P. J. Hydrothermal growth and the crystal structure of arsenic telluride, As2Te3 Zeitschrift fur Kristallographie, 1985, 172, 139-145 |
| 9017370 | CIF | O3 Se Zn | P b c a | 7.188; 6.225; 11.976 90; 90; 90 | 535.87 | Bensch, W.; Gunther, J. R. The crystal structure of beta-zinc selenite Zeitschrift fur Kristallographie, 1986, 174, 291-295 |
| 9017371 | CIF | O2 Si | C 2 2 21 (a,b,c+1/4) | 8.74; 5.04; 8.24 90; 90; 90 | 362.969 | Kihara, K.; Matsumoto, T.; Imamura, M. Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: Dollase's model, T = 733 K Zeitschrift fur Kristallographie, 1986, 177, 27-38 |
| 9017372 | CIF | O2 Si | P 63/m m c | 5.052; 5.052; 8.27 90; 90; 120 | 182.794 | Kihara, K.; Matsumoto, T.; Imamura, M. Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters Note: hexagonal Gibbs model, T = 733 K Zeitschrift fur Kristallographie, 1986, 177, 27-38 |
| 9017373 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.0275; 6.9312; 12.6919 90; 90.18; 90 | 1058.06 | Abriel, W.; Nesper, R. Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen Zeitschrift fur Kristallographie, 1993, 205, 99-113 |
| 9017374 | CIF | Ca H O4.5 S | P 31 2 1 | 6.937; 6.937; 6.345 90; 90; 120 | 264.427 | Abriel, W.; Nesper, R. Bestimmung der Kristallstruktur von CaSO4(H2O)0.5 mit Rontgenbeugungsmethoden und mit Potentialprofil-Rechnungen Zeitschrift fur Kristallographie, 1993, 205, 99-113 |
| 9017375 | CIF | Te | P 32 2 1 | 4.44693; 4.44693; 5.91492 90; 90; 120 | 101.298 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 7-83 |
| 9017376 | CIF | Pd2 Si | P -6 2 m | 6.496; 6.496; 3.433 90; 90; 120 | 125.457 | Nylund, A. Some notes on the palladium-silicon system Acta Chemica Scandinavica, 1966, 20, 2381-2386 |
| 9017377 | CIF | F3 Y | P n m a | 6.3537; 6.8545; 4.3953 90; 90; 90 | 191.422 | Cheetham, A. K.; Norman, N. The structures of yttrium and bismuth trifluorides by neutron diffraction Acta Chemica Scandinavica, 1974, 55-60 |
| 9017378 | CIF | Bi2 O9 S2 | C 1 2/c 1 | 32.16; 6.7606; 22.612 90; 119.55; 90 | 4276.83 | Aurivillius, B. Pyrolysis products of Bi2(SO4)3. II. Crystal structure of Bi2O(SO4)2 Acta Chemica Scandinavica, 1988, 95-110 |
| 9017379 | CIF | Al H2 O2 | C m c m | 2.876; 12.24; 3.709 90; 90; 90 | 130.565 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
| 9017380 | CIF | Al H O2 | C m c 21 | 2.876; 12.24; 3.709 90; 90; 90 | 130.565 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
| 9017381 | CIF | Fe H2 O2 | C m c m | 3.07; 12.53; 3.876 90; 90; 90 | 149.098 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
| 9017382 | CIF | Fe H O2 | C m c 21 | 3.07; 12.53; 3.876 90; 90; 90 | 149.098 | Christensen, A. N.; Lehmann, M. S.; Convert, P. Deuteration of crystalline hydroxides. Hydrogen bonds of gamma-AlOO(H,D) and gamma-FeOO(H,D) Acta Chemica Scandinavica A, 1982, 36, 303-308 |
| 9017383 | CIF | Ti | P 63/m m c | 2.95; 2.95; 4.686 90; 90; 120 | 35.316 | Fang, Q.; Bai, W.; Yang, J.; Rong, H.; Shi, N.; Li, G.; Xiong, M.; Ma, Z. Titanium, Ti, a new mineral species from Luobusha, Tibet, China Acta Geologica Sinica, 2013, 87, 1275-1280 |
| 9017384 | CIF | Al0.01 Ca0.74 Ce0.05 F0.09 Fe0.02 H0.91 Mg0.01 Na0.58 Nb1.15 O6.91 Ta0.03 Ti0.8 U0.4 | F d -3 m :2 | 10.381; 10.381; 10.381 90; 90; 90 | 1118.71 | Yang, G.; Li, G.; Xiong, M.; Pan, B.; Yan, C. Hydroxycalciopyrochlore, a new mineral species from Sichuan, China Acta Geologica Sinica, 2014, 88, 748-753 |
| 9017385 | CIF | Cl4 K2 Zn | P n a 21 | 26.751; 12.393; 7.247 90; 90; 90 | 2402.56 | Kusz, J.; Kucharczyk, D. The comparative study of the commensurate structure of K2ZnC14 Applied Crystallography: Proceedings of the XVI Conference, 1994, 16, 268-272 |
| 9017386 | CIF | B K O6 Si2 | P 21 21 21 | 9.963; 10.4348; 4.7044 90; 90; 90 | 489.078 | Sokolova, E. V.; Uvarova Yu, A.; Hawthorne, F. C.; Khomyakov, A. P. First edition. A A Balkema, Rotterdam, Netherlands Crystal chemistry of a novel zeolite mineral from the Kbibiny Alkaline Massif, Kolal Peninsula Applied Mineralogy in Research, Economy, Technology, and Culture, 2000, 1, 254-248 |
| 9017387 | CIF | H Mn O3 Pb | P 1 2/c 1 | 9.118; 5.676; 5.604 90; 87; 90 | 289.631 | Bystrom, A. The structure of quenselite, PbMnO2OH Arkiv for Kemi, Mineralogi och Geologi, 1944, 19, 1-9 |
| 9017388 | CIF | Cl2 Co0.02 Cu3.27 H6 Ni0.71 O6 | R -3 :H | 13.682; 13.682; 13.916 90; 90; 120 | 2256.03 | Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Downes, P. J.; Welch, M. D.; Kampf, A. R. Paratacamite-(Ni), Cu3(Ni,Cu)Cl2(OH)6, a new mineral from the Carr Boyd Rocks mine, Western Australia Australian Journal of Mineralogy, 2013, 17, 39-44 |
| 9017390 | CIF | H4 Mo O5 | P 1 21/n 1 | 10.596; 13.804; 10.462 90; 91.59; 90 | 1529.66 | Cesbron, F.; Ginderow, D. La sidwillite, MoO3*2H2O; une nouvelle espece minerale de Lake Como, Colorado, U.S.A. Bulletin de Mineralogie, 1985, 108, 813-823 |
| 9017391 | CIF | C2 Mn O6 | C 1 2/c 1 | 12.0155; 5.6323; 9.9609 90; 128.37; 90 | 528.509 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
| 9017392 | CIF | C2 Co O6 | C 1 2/c 1 | 11.775; 5.416; 9.859 90; 127.85; 90 | 496.467 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
| 9017393 | CIF | C2 Ni O6 | C 1 2/c 1 | 11.7748; 5.3328; 9.8326 90; 127.21; 90 | 491.724 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
| 9017394 | CIF | C2 O6 Zn | C 1 2/c 1 | 11.8039; 5.4028; 9.9213 90; 127.7; 90 | 500.625 | Deyrieux, R.; Berro, C.; Peneloux, A. Contribution a l'etude des oxalates de certains metaux bivalents. III. - Structure cristalline des oxalates dihydrates de manganese, de cobalt, de nickel et de zinc. Polymorphisme des oxalates dihydrates de cobalt et de nickel Bulletin de la Societe Chimique de France, 1973, 1973, 25-34 |
| 9017395 | CIF | As Rh | P n m a | 5.62; 3.58; 6 90; 90; 90 | 120.718 | Heyding, R. D.; Calvert, L. D. Arsenides of the transition metals IV. A note on the platinum metal arsenides Canadian Journal of Chemistry, 1961, 39, 955-957 |
| 9017396 | CIF | Al K0.86 Na0.14 O8 Si3 | C 1 2/m 1 | 8.543; 13.021; 7.183 90; 115.98; 90 | 718.282 | Ohashi, Y.; Finger LW Refinement of the crystal structure of sanidine at 25 and 400C Note: T = 25 C Carnegie Institution of Washington: Yearbook, 1974, 73, 539-544 |
| 9017398 | CIF | Al K0.86 Na0.14 O8 Si3 | C 1 2/m 1 | 8.682; 13.013; 7.184 90; 115.71; 90 | 731.289 | Ohashi, Y.; Finger LW An effect of temperature on the feldspar structure: crystal structure of sanidine at 800C Note: T = 800 C Carnegie Institution of Washington: Yearbook, 1975, 74, 569-572 |
| 9017399 | CIF | Al7 Ca6 F O16 | I -4 3 d | 11.981; 11.981; 11.981 90; 90; 90 | 1719.81 | Yu, Q.; Sugita, S.; Feng, X.; Mi, J. On the preparation of single crystals of 11CaO*7Al2O3*CaF2 and the confirmation of its crystal structure Cement and Concrete Research, 1997, 27, 1439-1449 |
| 9017400 | CIF | Ca2 O9 S2 | P 31 | 6.93145; 6.93145; 12.73617 90; 90; 120 | 529.929 | Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T. Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4 Chemistry of Materials, 2008, 20, 2124-2132 |
| 9017401 | CIF | Ca O4 S | P 62 2 2 | 6.96895; 6.96865; 6.30044 90; 90; 120 | 264.983 | Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T. Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4 Chemistry of Materials, 2008, 20, 2124-2132 |
| 9017402 | CIF | C H4 Ca7 O23 Si6 | C 1 m 1 | 10.0394; 15.1935; 6.6344 90; 115.645; 90 | 912.283 | Zhang, L.; Fu, P.; Yang, H.; Yu, K.; Zhou, Z. Crystal structure of Scawtite Chinese Science Bulletin, 1992, 37, 930-934 |
| 9017403 | CIF | H2 Mg3 O12 Si4 | C -1 | 5.1848; 8.923; 9.19 90.69; 90.9; 90 | 425.083 | Drits, V. A.; Guggenheim, S.; Zviagina, B. B.; Kogure, T. Structures of the 2:1 layers of pyrophyllite and talc Note: structure is averaged to remove stacking disorder effects Clays and Clay Minerals, 2012, 60, 574-587 |
| 9017404 | CIF | Ca O4 S | B b m m | 6.24; 6.98; 6.97 90; 90; 90 | 303.58 | Wasastjerna, J. The crystal structure of anhydrite, CaSO4 Commentationes Physico-Mathematicae, 1927, 2, 1-46 |
| 9017405 | CIF | O9 Sn Ta | P m -3 m | 3.88; 3.88; 3.88 90; 90; 90 | 58.411 | Gasperin, M. Synthese et identification de deux oxydes doubles de tantale et d'etain Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1955, 240, 2340-2342 |
| 9017406 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.01917; 6.93028; 12.66972 90; 90.2348; 90 | 1055.33 | Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A. Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.5H2O Comptes Rendus de l'Academie des Sciences Paris, 1991, 312, 43-48 |
| 9017407 | CIF | Ca3 H3.6 O13.8 S3 | C 1 2 1 | 11.9991; 6.9254; 6.3766 90; 90; 90 | 529.886 | Bezou, C.; Christensen, A. N.; Cox, D.; Lehmann, M.; Nonat, A. Structures cristallines de CaSO4,0,5H2O et CaSO4,0,6H2O Note: CaSO4*0.6H2O Comptes Rendus de l'Academie des Sciences Paris, 1991, 312, 43-48 |
| 9017408 | CIF | C Ca O3 | P 65 | 7.112; 7.112; 25.4089 90; 90; 120 | 1113.01 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017409 | CIF | C Ca O3 | P 32 2 1 | 7.1239; 7.1239; 25.3203 90; 90; 120 | 1112.85 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017410 | CIF | C Ca O3 | A m a 2 | 8.4905; 6.3905; 4.5026 90; 90; 90 | 244.305 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017411 | CIF | C Ca O3 | P 21 21 21 | 4.3668; 6.5831; 8.4282 90; 90; 90 | 242.286 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. A new structural model for disorder in vaterite from first-principles calculations CrystEngComm, 2012, 14, 44-47 |
| 9017412 | CIF | C Ca O3 | C 1 | 12.353; 7.102; 25.733 90.46; 99.78; 90.24 | 2224.67 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
| 9017413 | CIF | C Ca O3 | C 1 | 12.358; 7.106; 25.741 90.43; 99.88; 90.29 | 2226.84 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
| 9017414 | CIF | C Ca O3 | C 1 2 1 | 12.245; 7.197; 9.305 90; 115.16; 90 | 742.224 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
| 9017415 | CIF | C Ca O3 | C 1 c 1 | 12.281; 7.142; 9.371 90; 115.48; 90 | 741.993 | Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R. The multiple structures of vaterite Crystal Growth & Design, 2013, 13, 2247-2251 |
| 9017416 | CIF | Ba0.1 Ca0.6 H9.8 K1.55 Mn0.89 Nb0.1 O32.9 Si8 Ti3.9 | C 1 m 1 | 14.365; 13.887; 7.814 90; 117.36; 90 | 1384.42 | Rastsvetaeva, R. K.; Pekov, I. V.; Nekrasov, Y. V. Crystal structure and microtwinning of a calcium-rich analogue of labuntsovite Crystallography Reports, 2001, 46, 365-367 |
| 9017417 | CIF | Fe H O2 | C m c m | 3.072; 12.516; 3.873 90; 90; 90 | 148.914 | Zhukhlistov, A. P. Crystal structure of lepidocrocite FeO(OH) from the electron-diffractometry data Crystallography Reports, 2001, 46, 730-733 |
| 9017418 | CIF | C2 H Na O7 Pb2 | P 3 1 c | 5.268; 5.268; 13.48 90; 90; 120 | 323.975 | Belokoneva, E. L.; Al'-Ama A G; Dimitrova, O. V.; Kurazhkovskaya, V. S.; Stefanovich, S. Y. Synthesis and crystal structure of new carbonate NaPb2(CO3)2(OH) Crystallography Reports, 2002, 47, 217-222 |
| 9017419 | CIF | Al0.49 Fe0.5 K0.99 O8 Si3.01 | C 1 2/m 1 | 8.655; 13.101; 7.25 90; 116.02; 90 | 738.747 | Lebedeva, Y. S.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Kashaev, A. A.; Taroev, V. K.; Goettlicher, J.; Kroll, H.; Pentinghaus, H.; Suvorova, L. F.; Wulf-Bernodat H; Lashkevich, V. V. Synthesis and crystal structure of low ferrialuminosilicate sanidine Crystallography Reports, 2003, 48, 919-924 |
| 9017420 | CIF | Al0.14 Be2 Ca Fe1.176 H8 Mg0.096 Mn0.57 O17 P3 Zn0.36 | C 1 2/c 1 | 15.941; 11.877; 6.625 90; 95.09; 90 | 1249.37 | Barinova, A. V.; Rastsvetaeva, R. K.; Chukanov, N. V.; Pietraszko, A. Refinement of the crystal structure of Zn-containing greifensteinite Crystallography Reports, 2004, 49, 942-945 |
| 9017421 | CIF | H4 K2 O12 S2 U | P n a 21 | 13.773; 7.288; 11.556 90; 90; 90 | 1159.96 | Alekseev, E. V.; Suleimanov, E. V.; Chuprunov, E. V.; Marychev, M. O.; Ivanov, V. A.; Fukin, G. K. Crystal structure and nonlinear optical properties of the K2UO2(SO4)2*2H2O compound at 293 K Crystallography Reports, 2006, 51, 29-33 |
| 9017424 | CIF | Ca2 O4 Si | P 1 21/n 1 | 5.5051; 6.7551; 9.3108 90; 94.513; 90 | 345.172 | Yamnova, N. A.; Zubkova, N. V.; Eremin, N. N.; Zadov, A. E.; Gazeev, V. M. Crystal structure of larnite beta-Ca2SiO4 and specific features of polymorphic transitions in dicalcium orthosilicate Crystallography Reports, 2011, 56, 210-220 |
| 9017425 | CIF | H12 O13 S Zn4 | P 1 | 8.312; 14.545; 18.504 89.71; 90.05; 90.13 | 2237.06 | Rastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Verin, I. A. Crystal structure of a new mineral lahnsteinite Zn4(SO4)(OH)6*3H2O Crystallography Reports, 2012, 57, 737-741 |
| 9017426 | CIF | Al0.32 Be0.45 Cr0.71 O2 | P 21 21 21 (a+1/4,b-1/4,c) | 4.487; 5.629; 9.732 90; 90; 90 | 245.804 | Yamnova, N. A.; Aksenov, S. M.; Pautov, L. A.; Popov, M. P.; Erokhin, Y. V. Specific features of cation distribution in the crystal structure of mariinskite BeCr2O4 (derivative of olivine-type structure) Note: Sample 1 Crystallography Reports, 2014, 59, 30-35 |
| 9017427 | CIF | Al0.37 Be0.45 Cr0.66 O2 | P 21 21 21 (a+1/4,b-1/4,c) | 4.478; 5.62; 9.746 90; 90; 90 | 245.271 | Yamnova, N. A.; Aksenov, S. M.; Pautov, L. A.; Popov, M. P.; Erokhin, Y. V. Specific features of cation distribution in the crystal structure of mariinskite BeCr2O4 (derivative of olivine-type structure) Note: Sample 2 Crystallography Reports, 2014, 59, 30-35 |
| 9017428 | CIF | Fe Se2 | P n n m | 4.804; 5.781; 3.5817 90; 90; 90 | 99.471 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 0.0 GPa Crystals, 2018, 8 |
| 9017429 | CIF | Fe Se2 | P n n m | 4.771; 5.756; 3.5663 90; 90; 90 | 97.937 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 1.7 GPa Crystals, 2018, 8 |
| 9017430 | CIF | Fe Se2 | P n n m | 4.751; 5.729; 3.5467 90; 90; 90 | 96.536 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 3.83 GPa Crystals, 2018, 8 |
| 9017431 | CIF | Fe Se2 | P n n m | 4.698; 5.667; 3.5088 90; 90; 90 | 93.417 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 8.1 GPa Crystals, 2018, 8 |
| 9017432 | CIF | Fe Se2 | P n n m | 4.603; 5.581; 3.4492 90; 90; 90 | 88.608 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 17.3 GPa Crystals, 2018, 8 |
| 9017433 | CIF | Fe Se2 | P n n m | 4.555; 5.524; 3.409 90; 90; 90 | 85.777 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 24.4 GPa Crystals, 2018, 8 |
| 9017434 | CIF | Fe Se2 | P n n m | 4.488; 5.471; 3.3734 90; 90; 90 | 82.83 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 32 GPa Crystals, 2018, 8 |
| 9017435 | CIF | Fe Se2 | P n n m | 4.404; 5.391; 3.3185 90; 90; 90 | 78.788 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 46 GPa Crystals, 2018, 8 |
| 9017436 | CIF | Fe Se2 | P n n m | 4.7885; 5.7782; 3.5821 90; 90; 90 | 99.113 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 198.2 K, P = 0.0001 GPa Crystals, 2018, 8 |
| 9017437 | CIF | Fe Se2 | P n n m | 4.7893; 5.7775; 3.5795 90; 90; 90 | 99.045 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 148.4 K, P = 0.0001 GPa Crystals, 2018, 8 |
| 9017438 | CIF | Fe Se2 | P n n m | 4.7834; 5.7767; 3.5789 90; 90; 90 | 98.893 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 50.4 K, P = 0.0001 GPa Crystals, 2018, 8 |
| 9017439 | CIF | Fe Se2 | P n n m | 4.751; 5.723; 3.5501 90; 90; 90 | 96.527 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 197 K, P = 3.68 GPa Crystals, 2018, 8 |
| 9017440 | CIF | Fe Se2 | P n n m | 4.7446; 5.772; 3.5512 90; 90; 90 | 97.253 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 116 K, P = 3.64 GPa Crystals, 2018, 8 |
| 9017441 | CIF | Fe H Li O5 P | P -1 | 5.3528; 7.2896; 5.1187 109.359; 97.733; 106.359 | 174.984 | Marx, N.; Croguennec, L.; Carlier, D.; Wattiaux, A.; Le Cras, F.; Suard, E.; Delmas, C. The structure of tavorite LiFePO4(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization Dalton Transactions, 2010, 39, 5108-5116 |
| 9017442 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.578; 12.978; 7.204 90; 116.02; 90 | 720.699 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample ORMA, X-Ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017443 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SVG1, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017444 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAGA, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017445 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANU, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017446 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.543; 13.019; 7.183 90; 115.99; 90 | 718.11 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample STOT, T = 650 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017447 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.544; 13.026; 7.18 90; 115.97; 90 | 718.402 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SATO, T = 750 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017448 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.545; 13.026; 7.179 90; 115.97; 90 | 718.386 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANG, T = 850 C, nuetron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017449 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.545; 13.026; 7.179 90; 115.97; 90 | 718.386 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAND, T = 850 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017450 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.545; 13.026; 7.179 90; 115.97; 90 | 718.386 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAAT, T = 1050 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017451 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SVG3, T = 950 C, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017452 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANI, T = 950 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017453 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAGT, T = 1050 C, neutron diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017454 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.546; 13.033; 7.176 90; 115.97; 90 | 718.556 | Gering, E. Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SANN, T = 1050 C, X-ray diffraction Dissertation Kernforshungszentrum Karlsruhe, 1985, 1, 1-97 |
| 9017455 | CIF | B2 Ca H8 O8 | P -1 | 7.774; 5.68; 8.136 113.15; 101.67; 107.87 | 292.206 | Simonov, M. A.; Kazanskaya, E. V.; Egorov-Tismenko Y K; Zhelezi, E. P.; Belov, N. V. Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2 Note: T = 18 C Doklady Akademii Nauk SSSR, 1976, 230, 91-94 |
| 9017456 | CIF | B2 Ca H8 O8 | P -1 | 7.745; 5.667; 8.102 113.24; 101.54; 107.92 | 289.121 | Simonov, M. A.; Kazanskaya, E. V.; Egorov-Tismenko Y K; Zhelezi, E. P.; Belov, N. V. Refinement of the crystal-structure of frolovite, Ca[B(OH)4]2 Note: T = -140 C Doklady Akademii Nauk SSSR, 1976, 230, 91-94 |
| 9017457 | CIF | Ca H1.323 O4.662 S | B 1 1 2 | 12.028; 12.674; 6.927 90; 90; 90.21 | 1055.96 | Bushuev, N. N. On the structural features of CaSO4*0,5H2O and CaSO4*0,67H2O Doklady Akademii Nauk SSSR, 1980, 255, 1104-1109 |
| 9017458 | CIF | As2 Se3 | C 1 2/m 1 | 13.37; 3.73; 9.31 90; 95; 90 | 462.524 | Kirkinskii, V. A.; Yakushev, V. G. A new polymorphic modification of arsenic selenide obtained at high presssures Doklady Chemistry, 1968, 182, 896-898 |
| 9017459 | CIF | Al0.1 Be4 Ca2 Fe2.5 H16 Mg2.2 Mn0.2 O34 P6 | P -1 | 6.668; 9.879; 9.883 73.53; 85.6; 86.93 | 622.127 | Rastsvetaeva, R. K.; Barinova, A. V.; Chukanov, N. V.; Pietraszko, A. Crystal structure of a magnesium-rich triclinic analogue of greifensteinite Doklady Chemistry, 2004, 398, 191-195 |
| 9017460 | CIF | Ba0.03 Ca6 Cl1.62 Fe2.25 H1.662 Hf0.03 K2.295 Mn0.15 Na12.945 Nb0.03 O74.389 Si26 Sr0.3 Ti0.15 Zr2.79 | R 3 m :H | 14.2956; 14.2956; 30.0228 90; 90; 120 | 5313.57 | Rastsvetaeva, R. K.; Rozenberg, K. A.; Khomyakov, A. P. Crystal structure of high-silica K,Na-ordered acentric eudialyte analogue Doklady Chemistry, 2009, 424, 11-14 |
| 9017461 | CIF | Fe4.9 H0.82 Mn0.8 O38 Pb0.6 Sr0.1 Ti13.4 Y0.4 Zn1.5 | R -3 :H | 10.4359; 10.4359; 21.0471 90; 90; 120 | 1985.1 | Kastsvetaeva, R. K.; Aksenov, S. M.; Chukanov, N. V.; Menezes, L. A. D. Crystal structure of almeidaite, a new mineral of the crichtonite group Doklady Chemistry, 2014, 455, 53-57 |
| 9017462 | CIF | Ca0.29 Ce0.18 F0.11 Fe0.19 H0.65 La0.09 Mn0.51 Na0.35 Nb0.97 Nd0.02 O6.89 Th0.37 Ti0.85 U0.04 | F d -3 m :2 | 10.2523; 10.2523; 10.2523 90; 90; 90 | 1077.62 | Chukanov, N. V.; Blass, G.; Zubkova, N. V.; Pekov, I. V.; Pushcharovskii, D. Y.; Prinz, H. Hydroxymanganopyrochlore: A new mineral from the Eifel volcanic region, Germany Doklady Earth Sciences, 2013, 449, 342-345 |
| 9017463 | CIF | As0.79 Cr Cu H O9 P0.21 Pb2 | P 1 21/c 1 | 8.09015; 5.90913; 17.4839 90; 109.99; 90 | 785.474 | Ksenofontov, D. A.; Kabalov, Y. K.; Pekov, I. V.; Zubkova, N. V.; Ekimenkova, I. A.; Pushcharovskii, D. Y. Refinement of the crystal structure of fornacite using the Rietveld method Doklady Earth Sciences, 2014, 456, 520-523 |
| 9017464 | CIF | Ba Cu O6 Si2 | I 41/a c d :2 | 9.97511; 9.97511; 22.2887 90; 90; 90 | 2217.79 | Chen, Y.; Zhang, Y.; Feng, S. Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7 Dyes and Pigments, 2014, 105, 167-173 |
| 9017465 | CIF | Ba Cu2 O7 Si2 | P n m a | 6.86317; 13.1773; 6.86317 90; 90; 90 | 620.692 | Chen, Y.; Zhang, Y.; Feng, S. Hydrothermal synthesis and properties of pigments Chinese purple BaCuSi2O6 and dark blue BaCu2Si2O7 Dyes and Pigments, 2014, 105, 167-173 |
| 9017466 | CIF | Be2 O4 Si | R -3 :H | 12.485; 12.485; 8.264 90; 90; 120 | 1115.57 | Tsirelson, V. G.; Sokolova, Y. V.; Urusov, V. S. An X-ray diffraction study of the electron-density distribution and electrostatic potential in phenakite Be2SiO4 Geochemistry International, 1987, 24, 101-110 |
| 9017467 | CIF | Al3.82 Fe1.39 K0.06 Mg0.85 Na0.03 O18 Si4.94 | P 6/m c c | 9.8759; 9.8759; 9.3102 90; 90; 120 | 786.399 | Chukanov, N. V.; Aksenov, S. M.; Pekov, I. V.; Ternes, B.; Schuller, W.; Belakovskiy, D. I.; Van, K. V.; Blass, G. Ferroindialite (Fe2+,Mg)2Al4Si5O18, a new beryl-group mineral from the Eifel volcanic region, Germany Geology of Ore Deposits, 2014, 56, 637-643 |
| 9017468 | CIF | H11 Na1.43 Nb1.56 O22 Si4 Ti1.395 Zn1.2 | P -1 | 8.975; 8.979; 12.135 74.328; 80.651; 73.959 | 900.819 | Pekov, I. V.; Lykova, I. S.; Chukanov, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Zolotarev, A. A.; Zubkova, N. V. Zvyaginite, NaZnNb2Ti[Si2O7]2O(OH,F)3(H2O)4+x(x<1), a new mineral of the epistolite group from the Lovozero alkaline pluton, Kola Peninsula, Russia Geology of Ore Deposits, 2014, 56, 644-656 |
| 9017469 | CIF | Ca Mg O6 Si2 | C 1 2/c 1 | 9.234; 8.255; 4.959 90; 104.592; 90 | 365.815 | Plonka, A. M.; Dera, P.; Irmen, P.; Rivers, M. L.; Ehm, L.; Parise, J. B. Beta-diopside, a new ultrahigh-pressure polymorph of CaMgSi2O6 with six-coordinated silicon Note: P = 38.6 GPa Geophysical Research Letters, 2012, 39, L24307-4 |
| 9017470 | CIF | Ca Mg O6 Si2 | P 1 21/c 1 | 9.053; 7.677; 4.751 90; 96.34; 90 | 328.175 | Plonka, A. M.; Dera, P.; Irmen, P.; Rivers, M. L.; Ehm, L.; Parise, J. B. Beta-diopside, a new ultrahigh-pressure polymorph of CaMgSi2O6 with six-coordinated silicon Note: P = 56.1 GPa Geophysical Research Letters, 2012, 39, L24307-4 |
| 9017471 | CIF | B | P 42/n n m :1 | 8.708; 8.708; 5.075 90; 90; 90 | 384.834 | Parakhonskiy, G.; Dubrovinskaia, N.; Bykova, E.; Wirth, R.; Dubrovinsky, L. High pressure synthesis and investigation of single crystals of metastable boron phases Note: alpha-tetragonal phase High Pressure Research, 2013, 33, 673-683 |
| 9017472 | CIF | B | R -3 m :H | 5.594; 5.594; 12.0756 90; 90; 120 | 327.253 | Parakhonskiy, G.; Dubrovinskaia, N.; Bykova, E.; Wirth, R.; Dubrovinsky, L. High pressure synthesis and investigation of single crystals of metastable boron phases Note: epsilon-trigonal phase High Pressure Research, 2013, 33, 673-683 |
| 9017473 | CIF | Fe3 H28 O30 S4 | P -1 | 6.319; 6.4521; 15.3158 85.855; 89.828; 79.065 | 611.46 | Mereiter, K. Experimental crystal structure determination ICSD Communications, 2018, 2018 |
| 9017474 | CIF | Fe H7 O8 S | P -1 | 6.6548; 8.9204; 11.6053 97.26; 95.634; 90.383 | 679.979 | Mereiter, K. Experimental crystal structure determination Note: T = 296 K ICSD Communications, 2018, 2018 |
| 9017475 | CIF | Fe H7 O8 S | P -1 | 6.6278; 8.8605; 11.579 97.564; 95.709; 90.355 | 670.595 | Mereiter, K. Experimental crystal structure determination Note: T = 100 K ICSD Communications, 2018, 2018 |
| 9017476 | CIF | Fe2 H22 O23 S3 | P -1 | 6.18; 23.583; 6.54 94.14; 101.68; 96.35 | 923.305 | Mereiter, K. Experimental crystal structure determination ICSD Communications, 2020, 2020 |
| 9017477 | CIF | As2 Cu4 O9 | P n m a | 8.253; 6.4122; 13.789 90; 90; 90 | 729.712 | Adams, R. D.; Layland, R.; Payen, C. Cu4(AsO4)2(O): A new copper arsenate with unusual low temperature magnetic properties Inorganic Chemistry, 1995, 34, 5397-5398 |
| 9017478 | CIF | As2 Te3 | C 1 2/m 1 | 14.337; 4.015; 9.887 90; 95.06; 90 | 566.908 | Morin, C.; Corallini, S.; Carreaud, J.; Vaney, J. B.; Delaizir, G.; Crivello, J. C.; Lopes, E. B.; Piarristeguy, A.; Monnier, J.; Candolfi, C.; Nassif, V.; Cuello, G. J.; Pradel, A.; Goncalves, A. P.; Lenoir, B.; Alleno, E. Polymorphism in thermoelectric As2Te3 Note: T = 300 K Inorganic Chemistry, 2015, 54, 9936-9947 |
| 9017479 | CIF | C3 H9.3 Ce O10.65 | P 1 21/c 1 | 11.347; 9.63; 10.392 90; 114.52; 90 | 1033.14 | Ollendorff, W.; Weigel, F. The crystal structure of some lanthanide oxalate decahydrates, Ln2(C2O4)3*10H2O, with Ln = La, Ce, Pr, and Nd Inorganic and Nuclear Chemistry Letters, 1969, 5, 263-269 |
| 9017480 | CIF | Br3 Fe K | P n m a | 8.712; 3.845; 14.15 90; 90; 90 | 473.992 | Amit, A.; Horowitz, A.; Makovsky, J. Preparation and crystal structure of KFeCl3 and KFeBr3 Israel Journal of Chemistry, 1974, 12, 827-830 |
| 9017481 | CIF | As2 Te3 | C 1 2/m 1 | 14.364; 4.025; 9.889 90; 95.14; 90 | 569.434 | Kanischeva, A. S.; Mikhailov, Y. N.; Chernov, A. P. Crystal structure of arsenic telluride As2Te3 Izvestiya Akademii Nauk SSSR Neorganicheskie Materialy, 1982, 18, 949-952 |
| 9017482 | CIF | Ba3 O8 V2 | R -3 m :H | 5.7811; 5.7811; 21.2886 90; 90; 120 | 616.167 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 0 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017483 | CIF | Ba2.5 O8 Sr0.5 V2 | R -3 m :H | 5.7617; 5.7617; 21.1048 90; 90; 120 | 606.755 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 0.5 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017484 | CIF | Ba2 O8 Sr V2 | R -3 m :H | 5.7362; 5.7362; 20.9041 90; 90; 120 | 595.677 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 1 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017485 | CIF | Ba1.5 O8 Sr1.5 V2 | R -3 m :H | 5.7084; 5.7084; 20.6912 90; 90; 120 | 583.909 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 1.5 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017486 | CIF | Ba O8 Sr2 V2 | R -3 m :H | 5.6792; 5.6792; 20.4821 90; 90; 120 | 572.11 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 2 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017487 | CIF | Ba0.5 O8 Sr2.5 V2 | R -3 m :H | 5.6498; 5.6498; 20.2789 90; 90; 120 | 560.585 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 2.5 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017488 | CIF | O8 Sr3 V2 | R -3 m :H | 5.6214; 5.6214; 20.0997 90; 90; 120 | 550.059 | Azdouz, M.; Manoun, B.; Essehli, R.; Azrour, M.; Bih, L.; Benmokhtar, S.; Ait Hou, A.; Lazor, P. Crystal chemistry, Rietveld refinements and Raman spectroscopy studies of the new solid solution series: Ba3-xSrx(VO4)2 (0<=x<=3) Note: x = 3 Journal of Alloys and Compounds, 2010, 498, 42-51 |
| 9017489 | CIF | Fe2.668 O4 | P 43 3 2 | 8.3474; 8.3474; 8.3474 90; 90; 90 | 581.639 | Shmakov, A. N.; Kryukova, G. N.; Tsybulya, S. V.; Chuvilin, A. L.; Solovyeva, L. P. Vacancy ordering in gamma-Fe2O3: synchrotron x-ray powder diffraction and high- resolution electron microscopy studies Journal of Applied Crystallography, 1995, 28, 141-145 |
| 9017490 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.764; 10.229; 5.996 90; 90; 90 | 292.191 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: for calculation of powder patterns Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017491 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.7645; 10.23467; 5.99727 90; 90; 90 | 292.445 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional Rietveld refinement on the whole data set Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017492 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.762; 10.235; 5.998 90; 90; 90 | 292.337 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional refinement on single-crystal data Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017493 | CIF | Fe2.645 O3.99 | P 43 3 2 | 8.3364; 8.3364; 8.3364 90; 90; 90 | 579.343 | Solano, E.; Frontera, C.; Puig, T.; Obradors, X.; Ricart, S.; Ros, J. Neutron and X-ray diffraction study of ferrite nanocrystals obtained by microwave-assisted growth. A structural comparison with the thermal synthetic route Journal of Applied Crystallography, 2014, 47, 414-420 |
| 9017494 | CIF | Sn | F m -3 m | 5.8197; 5.8197; 5.8197 90; 90; 90 | 197.107 | Straumanis, M. E. The precision determination of lattice constants by the powder and rotation crystal methods and applications Sample: at T = 25 C Journal of Applied Physics, 1949, 20, 726-734 |
| 9017495 | CIF | Bi | P 63/m m c | 4.53674; 4.53674; 5.19983 90; 90; 120 | 92.685 | Straumanis, M. E. The precision determination of lattice constants by the powder and rotation crystal methods and applications Sample: at T = 25 C Journal of Applied Physics, 1949, 20, 726-734 |
| 9017496 | CIF | F | P m -3 n | 6.67; 6.67; 6.67 90; 90; 90 | 296.741 | Jordan, T. H.; Streib, W. E.; Lipscomb, W. N. Single-crystal X-ray diffraction study of beta-fluorine Note: T = 50 K Note: beta phase, stable between T = 45.55 K & 53.54 K Journal of Chemical Physics, 1964, 41, 760-764 |
| 9017497 | CIF | C2 Cl3 Cu N | I 1 2/a 1 | 12.09; 8.63; 14.49 90; 97.5; 90 | 1498.91 | Willett, R. D. Crystal structure and optical properties of (CH3)2NH2CuCl3 Journal of Chemical Physics, 1966, 44, 39-42 |
| 9017498 | CIF | O2 | P 63/m m c | 2.561; 2.561; 6.575 90; 90; 120 | 37.346 | Lundegaard, L. F.; Guillaume, C.; McMahon, M. I.; Gregoryanz, E.; Merlini, M. On the structure of high-pressure high-temperature eta-O2 Journal of Chemical Physics, 2009, 130 |
| 9017499 | CIF | C0.34 H2 Al0.377 Ni0.623 O3.02 | R -3 m :H | 3.029; 3.029; 22.5995 90; 90; 120 | 179.568 | Mills, S. J.; Whitfield, P. S.; Kampf, A. R.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M.; Favreau, G. Contribution to the crystallography of hydrotalcites: the crystal structures of woodallite and takovite Note: polytype 3R Note: calculated chemical formula differs from expected Journal of Geosciences, 2012, 58, 273-279 |
| 9017500 | CIF | C0.07 H2 Al0.039 Cl0.11 Cr0.124 Fe0.087 Mg0.75 O2.851 | R -3 m :H | 3.10124; 3.10124; 23.6817 90; 90; 120 | 197.249 | Mills, S. J.; Whitfield, P. S.; Kampf, A. R.; Wilson, S. A.; Dipple, G. M.; Raudsepp, M.; Favreau, G. Contribution to the crystallography of hydrotalcites: the crystal structures of woodallite and takovite Note: polytype 3R Note: calculated chemical formula differs from expected Journal of Geosciences, 2012, 58, 273-279 |
| 9017501 | CIF | Cl0.94 H4 Na7 O20.06 S4 U | C 1 2/c 1 | 21.1507; 5.3469; 34.6711 90; 104.913; 90 | 3788.91 | Plasil, J.; Kampf, A. R.; Kasatkin, A. V.; Marty, J. Bluelizardite, Na7(UO2)(SO4)4Cl(H2O)2, a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA Journal of Geosciences, 2014, 59, 145-158 |
| 9017502 | CIF | Fe3 O8 P2 | P 1 21/c 1 | 6.0186; 4.7768; 10.4192 90; 90.952; 90 | 299.507 | Warner, J. K.; Cheetham, A. K.; Nord, A. G.; Von Dreele, R. B.; Yethiraj, M. Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2 Sample: FE3(PO4)2 Note: T = 59.7 K Journal of Materials Chemistry, 1992, 2, 191-196 |
| 9017503 | CIF | Fe3 O8 P2 | P 1 21/c 1 | 6.01037; 4.7727; 10.4052 90; 90.944; 90 | 298.44 | Warner, J. K.; Cheetham, A. K.; Nord, A. G.; Von Dreele, R. B.; Yethiraj, M. Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2 Sample: FE3(PO4)2 Note: T = 10.1 K Journal of Materials Chemistry, 1992, 2, 191-196 |
| 9017504 | CIF | Al7.47 B3 Ca0.62 Fe1.72 H4 Mg0.6 Na0.28 O31 Si5.15 Ti0.06 | R 3 m :H | 15.929; 15.929; 7.183 90; 90; 120 | 1578.39 | Nishio-Hamane D; Minakawa, T.; Yamaura, J.; Oyama, T.; Ohnishi, M.; Shimobayashi, N. Adachiite, a Si-poor member of the tourmaline supergroup from the Kiura mine, Oita Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2014, 109, 74-78 |
| 9017505 | CIF | O2 Si | P 21 21 21 | 7.22; 7.09; 7.3 90; 90; 90 | 373.686 | Le Bail, A. Modelling the silica glass structure by the Rietveld method Note: model for amorphous silica based on cristobalite-type topology Journal of Non-Crystalline Solids, 1995, 183, 39-42 |
| 9017506 | CIF | O2 | R -3 m :H | 2.826; 2.826; 10.16 90; 90; 120 | 70.27 | Uemura, E.; Akahama, Y.; Kawamura, H.; Bihan, T. L.; Shobu, T.; Noda, Y.; Shimomura, O. Structural studies of beta-O2 under pressure Journal of Physics: Condensed Matter, 2002, 14, 10423-10428 |
| 9017507 | CIF | B | R -3 m :H | 10.932; 10.932; 23.819 90; 90; 120 | 2465.21 | Slack, G. A.; Hejna, C. I.; Garbauskas, M. F.; Kasper, J. S. The crystal structure and density of beta-rhombohedral boron Note: beta-phase Journal of Solid State Chemistry, 1988, 76, 52-63 |
| 9017508 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.0317; 6.9272; 12.6711 90; 90.27; 90 | 1056.07 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH1, X-ray diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
| 9017510 | CIF | Ca3 H3.6 O13.8 S3 | I 1 2 1 | 11.9845; 6.9292; 12.7505 90; 90; 90 | 1058.84 | Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S. Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH2, X-ray diffraction Journal of Solid State Chemistry, 1995, 117, 165-176 |
| 9017512 | CIF | As6 Fe4 Na6.88 O24 | R -3 c :H | 13.807; 13.807; 18.354 90; 90; 120 | 3030.12 | Masquelier, C.; d'Yvoire F; Collin, G. Crystal structure of Na7Fe4(AsO4)6 and alpha-Na3Al2(AsO4)3, two sodium ion conductors structurally related to II-Na3Fe2(AsO4)3 Journal of Solid State Chemistry, 1995, 118, 33-42 |
| 9017513 | CIF | Al2 As3 Na3 O12 | C 1 2 1 | 14.576; 13.409; 9.728 90; 96.95; 90 | 1887.36 | Masquelier, C.; d'Yvoire F; Collin, G. Crystal structure of Na7Fe4(AsO4)6 and alpha-Na3Al2(AsO4)3, two sodium ion conductors structurally related to II-Na3Fe2(AsO4)3 Journal of Solid State Chemistry, 1995, 118, 33-42 |
| 9017514 | CIF | Al4.3 Ca0.76 H21.4 Na2.84 O46.7 Si13.7 | C 1 2/m 1 | 17.677; 17.931; 7.426 90; 116.47; 90 | 2107.04 | Yang, P.; Armbruster, T. Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K Journal of Solid State Chemistry, 1996, 123, 140-149 |
| 9017515 | CIF | Cu K Na O10 Si4 | P -1 | 6.9704; 8.0111; 9.7896 105.559; 99.534; 114.156 | 456.317 | Brandao, P.; Rocha, J.; Reis, M. S.; dos Santos, A. M.; Jin, R. Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu) Journal of Solid State Chemistry, 2009, 182, 253-258 |
| 9017516 | CIF | Fe K Na O10 Si4 | P -1 | 6.9742; 8.1326; 9.9301 105.778; 100.6; 114.262 | 465.218 | Brandao, P.; Rocha, J.; Reis, M. S.; dos Santos, A. M.; Jin, R. Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu) Journal of Solid State Chemistry, 2009, 182, 253-258 |
| 9017517 | CIF | K Mn Na O10 Si4 | P -1 | 6.9851; 8.1825; 9.9747 105.7; 99.507; 114.577 | 473.339 | Brandao, P.; Rocha, J.; Reis, M. S.; dos Santos, A. M.; Jin, R. Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu) Journal of Solid State Chemistry, 2009, 182, 253-258 |
| 9017518 | CIF | Fe O3 | R 3 c :R | 5.43; 5.43; 5.43 55.28; 55.28; 55.28 | 100.792 | Pauling, L.; Hendricks, S. The Structure of Hematite Journal of the American Chemical Society, 1925, 47, 781-790 |
| 9017519 | CIF | Fe2.645 O3.99 | P 43 3 2 | 8.3457; 8.3457; 8.3457 90; 90; 90 | 581.284 | Shin HS A study on the structure of maghemite (gamma-Fe2O3) I. Rietveld analysis of powder XRD patterns Journal of the Korean Ceramic Society, 1998, 35, 1113-1119 |
| 9017520 | CIF | Fe1.966 O2.962 | P 43 21 2 | 8.346; 8.346; 25.034 90; 90; 90 | 1743.76 | Shin HS A study on the structure of maghemite (gamma-Fe2O3) I. Rietveld analysis of powder XRD patterns Journal of the Korean Ceramic Society, 1998, 35, 1113-1119 |
| 9017521 | CIF | In | I 4/m m m | 3.253; 3.253; 4.9455 90; 90; 90 | 52.333 | Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: 99.9999% indium Note: converted from kx units Journal of the Less-Common Metals, 1964, 7, 17-22 |
| 9017522 | CIF | In | I 4/m m m | 3.2521; 3.2521; 4.9479 90; 90; 90 | 52.33 | Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: 99.999% indium Note: converted from kx units Journal of the Less-Common Metals, 1964, 7, 17-22 |
| 9017523 | CIF | In | I 4/m m m | 3.2523; 3.2523; 4.9479 90; 90; 90 | 52.336 | Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: 99.97% indium Note: converted from kx units Journal of the Less-Common Metals, 1964, 7, 17-22 |
| 9017524 | CIF | In | I 4/m m m | 3.2524; 3.2524; 4.9457 90; 90; 90 | 52.316 | Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: .1 atomic % thallium Note: converted from kx units Journal of the Less-Common Metals, 1964, 7, 17-22 |
| 9017525 | CIF | In | I 4/m m m | 3.2532; 3.2532; 4.9428 90; 90; 90 | 52.311 | Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: .2 atomic % cadmium Note: converted from kx units Journal of the Less-Common Metals, 1964, 7, 17-22 |
| 9017526 | CIF | In | I 4/m m m | 3.2518; 3.2518; 4.9478 90; 90; 90 | 52.319 | Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: .2 atomic % tin Note: converted from kx units Journal of the Less-Common Metals, 1964, 7, 17-22 |
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