Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 9017527 | CIF | In | I 4/m m m | 3.2523; 3.2523; 4.949 90; 90; 90 | 52.348 | Smith, J. F.; Schneider, V. L. Anisotropic thermal expansion of indium Sample: .2 atomic % lead Note: converted from kx units Journal of the Less-Common Metals, 1964, 7, 17-22 |
| 9017528 | CIF | Al5 Cu5 | I 1 2/m 1 | 9.889; 4.105; 6.913 90; 89.996; 90 | 280.629 | El-Boragy M; Szepan, R.; Schubert, K. Kristallstruktur von Cu3Al2+ (h) und CuAl (r) Journal of the Less-Common Metals, 1972, 29, 133-140 |
| 9017529 | CIF | Al5 Cu5 | C 1 2/m 1 | 12.066; 4.105; 6.913 90; 55.04; 90 | 280.621 | El-Boragy M; Szepan, R.; Schubert, K. Kristallstruktur von Cu3Al2+ (h) und CuAl (r) Journal of the Less-Common Metals, 1972, 29, 133-140 |
| 9017530 | CIF | As Cu Pt S2 | A 1 a 1 | 5.852; 15.876; 3.756 90; 90; 90 | 348.956 | Ding, K.; He, C.; Zheng, Q. Determination of daomanite crystal structure Kexue Tongbao, 1982, 27, 62-66 |
| 9017531 | CIF | As Cu Pt S2 | C 1 c 1 | 3.756; 15.876; 5.852 90; 90; 90 | 348.956 | Ding, K.; He, C.; Zheng, Q. Determination of daomanite crystal structure Kexue Tongbao, 1982, 27, 62-66 |
| 9017532 | CIF | Ca10.34 Mg0.66 O18 S Si4 | I 4/m m m | 10.452; 10.452; 8.6977 90; 90; 90 | 950.174 | Ilinets, A. M.; Bikbau, M. Y.; Nudelman, B. I.; Bolotina, N. B. The peculiarities of the atomic-structure of alinite and jasmundite Kristallografiya, 1989, 34, 71-77 |
| 9017533 | CIF | Al Ca9.6 Cl Mg1.4 O18 Si3 | I 4/m m m | 10.485; 10.485; 8.609 90; 90; 90 | 946.432 | Ilinets, A. M.; Bikbau, M. Y.; Nudelman, B. I.; Bolotina, N. B. The peculiarities of the atomic-structure of alinite and jasmundite Note: Cr-bearing material Kristallografiya, 1989, 34, 71-77 |
| 9017534 | CIF | Al Ca9.72 Cl Mg1.28 O18 Si3 | I 4/m m m | 10.461; 10.461; 10.583 90; 90; 90 | 1158.12 | Ilinets, A. M.; Bikbau, M. Y.; Nudelman, B. I.; Bolotina, N. B. The peculiarities of the atomic-structure of alinite and jasmundite Note: Cu, Ni-bearing material Kristallografiya, 1989, 34, 71-77 |
| 9017535 | CIF | Ca O3 Si | C 1 2/c 1 | 6.83556; 11.86962; 19.6255 90; 90.6805; 90 | 1592.21 | Seryotkin, Y. V.; Sokol, E. V.; Kokh, S. N. Natural pseudowollastonite: Crystal structure, associated minerals, and geological context Lithos, 2012, 75-90 |
| 9017536 | CIF | H2 O7 W2 | F d -3 m :2 | 10.305; 10.305; 10.305 90; 90; 90 | 1094.32 | Gunter, J. R.; Amberg, M.; Schmalle, H. Direct synthesis and single crystal structure determination of cubic pyrochlore-type tungsten trioxide hemihydrate, WO3*0.5H2O Materials Research Bulletin, 1989, 24, 289-292 |
| 9017537 | CIF | Al3 As4 K0.92 Na2.08 O16 | C m c e | 10.5049; 20.482; 6.3574 90; 90; 90 | 1367.87 | Ben Yahia, H.; Nilges, T.; Rodewald, U. C.; Pottgen, R. New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4 Materials Research Bulletin, 2010, 45, 2017-2023 |
| 9017538 | CIF | Al2 As2 K Na O9 | P n m a | 8.2368; 5.5228; 17.016 90; 90; 90 | 774.061 | Ben Yahia, H.; Nilges, T.; Rodewald, U. C.; Pottgen, R. New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4 Materials Research Bulletin, 2010, 45, 2017-2023 |
| 9017539 | CIF | Al K O4 Si | P 63 | 5.151; 5.151; 8.69 90; 90; 120 | 199.68 | Andou, Y.; Kawahara, A. The refinement of the structure of synthetic kalsilite Mineralogical Journal, 1984, 12, 153-161 |
| 9017540 | CIF | H14 O11 S Zn | P 21 21 21 | 11.728; 11.973; 6.772 90; 90; 90 | 950.92 | Anderson, J. L.; Peterson, R. C.; Swaison, I. P. Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Single crystal X-ray diffraction Mineralogical Magazine, 2005, 69, 259-271 |
| 9017541 | CIF | H14 O11 S Zn | P 21 21 21 | 11.8176; 12.0755; 6.827 90; 90; 90 | 974.236 | Anderson, J. L.; Peterson, R. C.; Swaison, I. P. Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Combined neutron powder X-ray refinement Mineralogical Magazine, 2005, 69, 259-271 |
| 9017542 | CIF | Al0.5 Ca1.52 Fe0.3 Mg0.2 Na0.48 O7 Si2 | P -4 21 m | 7.7661; 7.7661; 5.0297 90; 90; 90 | 303.353 | Wiedenmann, D.; Zaitsev, A. N.; Britvin, S. N.; Krivovichev, S. V.; Keller, J. Alumoakermanite, (Ca,Na)2(Al,Mg,Fe2+)(Si2O7), a new mineral from the active carbonatite-nephelinite-phonolite volcano Oldoinyo Lengai, northern Tanzania Mineralogical Magazine, 2009, 73, 373-384 |
| 9017543 | CIF | Al6.32 As0.152 B O17.61 Sb0.238 Si2.61 Ta0.32 | P n m a | 4.6818; 11.867; 20.302 90; 90; 90 | 1127.96 | Groat, L. A.; Grew, E. S.; Evans, R. J.; Pieczka, A.; Ercit, T. S. The crystal chemistry of holtite Sample: H1 Mineralogical Magazine, 2009, 73, 1033-1050 |
| 9017544 | CIF | Al6.39 As0.138 B O17.65 Sb0.21 Si2.65 Ta0.23 | P n m a | 4.6981; 11.926; 20.413 90; 90; 90 | 1143.73 | Groat, L. A.; Grew, E. S.; Evans, R. J.; Pieczka, A.; Ercit, T. S. The crystal chemistry of holtite Sample: H2 Mineralogical Magazine, 2009, 73, 1033-1050 |
| 9017545 | CIF | Al6.374 As0.052 B O17.156 Sb0.792 Si2.156 Ta0.26 | P n m a | 4.69; 11.897; 20.385 90; 90; 90 | 1137.42 | Groat, L. A.; Grew, E. S.; Evans, R. J.; Pieczka, A.; Ercit, T. S. The crystal chemistry of holtite Sample: H3 Mineralogical Magazine, 2009, 73, 1033-1050 |
| 9017546 | CIF | Al6.54 As0.22 B O17.186 Sb0.62 Si2.186 Ta0.11 | P n m a | 4.7264; 11.981; 20.566 90; 90; 90 | 1164.59 | Groat, L. A.; Grew, E. S.; Evans, R. J.; Pieczka, A.; Ercit, T. S. The crystal chemistry of holtite Sample: H4 Mineralogical Magazine, 2009, 73, 1033-1050 |
| 9017547 | CIF | Al5.022 As0.833 Ca0.69 Cu0.07 H6 Mg0.84 Mn3.31 O28 Si5.04 V0.195 | P n m m :2 | 8.7163; 5.8131; 18.5199 90; 90; 90 | 938.38 | Nagashima, M.; Armbruster, T. Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4 tetrahedra in silicates Mineralogical Magazine, 2010, 74, 55-71 |
| 9017548 | CIF | Al4.314 As0.73 Ca1.26 Fe0.244 H6 Mg1.08 Mn3.102 O28 Si5.27 | P n m m :2 | 8.7452; 5.8314; 18.5891 90; 90; 90 | 947.984 | Nagashima, M.; Armbruster, T. Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4 tetrahedra in silicates Mineralogical Magazine, 2010, 74, 55-71 |
| 9017549 | CIF | As0.7 Ca0.062 H Mn3.938 O13 Si3.22 V0.08 | P 1 21/n 1 | 6.6783; 19.9075; 7.575 90; 95.475; 90 | 1002.49 | Nagashima, M.; Armbruster, T. Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4 tetrahedra in silicates Mineralogical Magazine, 2010, 74, 55-71 |
| 9017550 | CIF | As0.175 Ca0.15 H Mn5.85 O19 Si5.23 V0.595 | P 1 21/n 1 | 6.7079; 28.87; 7.5754 90; 95.309; 90 | 1460.74 | Nagashima, M.; Armbruster, T. Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4 tetrahedra in silicates Mineralogical Magazine, 2010, 74, 55-71 |
| 9017551 | CIF | As0.093 H Mn6 O19 Si5.07 V0.837 | P 1 21/n 1 | 6.6748; 28.8203; 7.5444 90; 95.363; 90 | 1444.96 | Nagashima, M.; Armbruster, T. Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4 tetrahedra in silicates Mineralogical Magazine, 2010, 74, 55-71 |
| 9017552 | CIF | As24 Pb4.01 S68 Sb15.99 Tl8 | P 1 | 16.218; 42.546; 8.58 95.7; 90.18; 96.38 | 5853.94 | Bindi, L.; Nestola, F.; Guastoni, A.; Secco, L. The crystal structure of dalnegroite, Tl5-xPb2x(As,Sb)21-xS34: a masterpiece of structural complexity Mineralogical Magazine, 2013, 74, 999-1012 |
| 9017553 | CIF | Al1.179 Be2.811 Ca3.94 H2 Na0.05 O28 Si9.01 | C m c m | 23.208; 4.9833; 19.4266 90; 90; 90 | 2246.73 | Lussier, A. J.; Hawthorne, F. C. Short-range constraints on chemical and structural variations in bavenite Sample: 2ABAV Mineralogical Magazine, 2011, 75, 213-239 |
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