Crystallography Open Database
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Searching space group like 'R 3 m :H'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000051 | CIF | K N O3 | R 3 m :H | 5.487; 5.487; 9.156 90; 90; 120 | 238.7 | Nimmo, J. K.; Lucas, B. W. The crystal structures of γ- and β-KNO~3~ and the α ←γ ←β phase transformations Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1968-1971 |
| 1007244 | CIF | Cr4 H12 N3 O16 P | R 3 m :H | 12.033; 12.033; 10.032 90; 90; 120 | 1258 | Averbuch-Pouchot, M T; Durif, A; Guitel, J C Crystal structure of an ammonium phospho-chromate: (N H4)3 P Cr4 O16 Journal of Solid State Chemistry, 1981, 36, 381-384 |
| 1008255 | CIF | F4 O U | R 3 m :H | 13.095; 13.095; 5.658 90; 90; 120 | 840.2 | Levy, J. H.; Taylor, J. C.; Wilson, P. W. The structures of fluorides-XVII: neutron diffraction study of α-uranium oxide tetrafluoride Journal of Inorganic and Nuclear Chemistry, 1977, 39, 1989-1991 |
| 1008468 | CIF | As2 Sn2 Sr | R 3 m :H | 4.204; 4.204; 26.728 90; 90; 120 | 409.1 | Eisenmann, B; Klein, J Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturender isotypen Verbindungen SrSn~2~As~2~ und Sr~0.87~Ba~0.13~Sn~2~As~2~ sowie eine Einkristallstrukturbestimmung von KSnSb Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 598, 93-102 |
| 1008469 | CIF | As2 Ba0.13 Sn2 Sr0.87 | R 3 m :H | 4.227; 4.227; 26.878 90; 90; 120 | 415.9 | Eisenmann, B; Klein, J Zintl-Phasen mit Schichtanionen: Darstellung und Kristallstrukturender isotypen Verbindungen SrSn~2~As~2~ und Sr~0.87~Ba~0.13~Sn~2~As~2~ sowie eine Einkristallstrukturbestimmung von KSnSb Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 598, 93-102 |
| 1008844 | CIF | Sb2 Se2 Te | R 3 m :H | 4.112; 4.112; 29.495 90; 90; 120 | 431.9 | Andriamihaja, A; Ibanez, A; Jumas, J C; Olivier-Fourcade, J; Philippot, E Evolution structurale de la solution solide Sb2 Te(3-x) Se(x) (O < X < 2) dans le systeme Sb2 Te3 - Sb2 Se3 Revue de Chimie Minerale, 1985, 22, 357-368 |
| 1100051 | CIF | Al65 Cr27 Fe8 | R 3 m :H | 12.6963024; 12.6963024; 7.9210911 90; 90; 120 | 1105.78 | Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R. γ-Brasses with R cells Acta Crystallographica Section B, 1977, 33, 1088-1095 |
| 1100602 | CIF | C45 H84 Cd4 I4 N4 P4 | R 3 m :H | 17.842; 17.842; 17.29 90; 90; 120 | 4766.6 | Harms, Klaus; Merle, Jan; Maichle-Mössmer, Cäciliä; Massa, Werner; Krieger, Matthias Heterocubane Phosphoraniminato Complexes of Cadmium Inorganic Chemistry, 1998, 37, 1099-1104 |
| 1501513 | CIF | Mg0.247 Nb0.493 O3 Pb Ti0.26 | R 3 m :H | 5.6841; 5.6841; 6.98 90; 90; 120 | 195.303 | Singh, Akhilesh Kumar; Pandey, Dhananjai Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study Physical Review B, 2003, 67, 1-12 |
| 1501514 | CIF | Mg0.267 Nb0.533 O3 Pb Ti0.2 | R 3 m :H | 5.6921; 5.6921; 6.9882 90; 90; 120 | 196.083 | Singh, Akhilesh Kumar; Pandey, Dhananjai Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study Physical Review B, 2003, 67, 1-12 |
| 1509267 | CIF | Ag Cr S2 | R 3 m :H | 3.487; 3.487; 20.52 90; 90; 120 | 216.079 | de Lorent, V.; Hahn, H. Ueber ternaere Chalkogenide des Chroms mit einwertigem Kupfer und Silber Zeitschrift fuer Anorganische und Allgemeine Chemie, 1957, 290, 68-81 |
| 1509271 | CIF | Ag Cr Se2 | R 3 m :H | 3.691; 3.691; 21.22 90; 90; 120 | 250.36 | Hahn, H.; de Lorent, C. Ueber ternaere Chalkogenide des Chroms mit einwertigem Kupfer und Silber Zeitschrift fuer Anorganische und Allgemeine Chemie, 1957, 290, 68-81 |
| 1509559 | CIF | Ag Te3 | R 3 m :H | 8.645; 8.645; 5.272 90; 90; 120 | 341.221 | von Krziwanik, F.; Zabel, M.; Marx, R.; Panzer, B.; Rau, F.; Range, K.J. Ein neuer dreidimensionaler Tellur-Bauverband: Hochdrucksynthese und Kristallstruktur von Ag Te3 Angewandte Chemie (German Edition), 1982, 94, 717-718 |
| 1510099 | CIF | Au Cr S2 | R 3 m :H | 3.4823; 3.4823; 21.463 90; 90; 120 | 225.4 | Sakashita, S.I.; Fukuoka, H.; Yamanaka, S. Preparation and structural study of a new ternary gold chromium sulfide, Au Cr S2 Journal of Solid State Chemistry, 1999, 148, 487-491 |
| 1514438 | CIF | C40 H53 Mg N3 O2 | R 3 m :H | 32.394; 32.394; 11.017 90; 90; 120 | 10012 | Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases Chemical Science, 2013, 4, 1895 |
| 1517183 | CIF | C46 H77 N2 O2 S Si2 Y | R 3 m :H | 36.82; 36.82; 11.156 90; 90; 120 | 13098.1 | Liu, Bo; Li, Lei; Sun, Guangping; Liu, Jingyao; Wang, Meiyan; Li, Shihui; Cui, Dongmei 3,4-Polymerization of Isoprene by Using NSN- and NPN-Ligated Rare Earth Metal Precursors: Switching of Stereo Selectivity and Mechanism Macromolecules, 2014, 47, 4971 |
| 1520923 | CIF | Co H0.79 K0.25 Na0.06 O2.3 | R 3 m :H | 2.83; 2.83; 20.3727 90; 90; 120 | 141.303 | Butel, M.; Gautier, L.; Delmas, C. Cobalt oxyhydroxides obtained by 'chimie douce' reactions: structure and electronic conductivity properties Solid State Ionics, 1999, 122, 271-284 |
| 1520963 | CIF | Ba0.03 Ca6.33 Ce0.47 Cl1.3 Fe2.55 H6.29 K0.25 Mn1.2 Na12 Nb0.8 O77.49 Si25.2 Sr0.72 Ti0.05 Y0.13 Zr3.27 | R 3 m :H | 14.262; 14.262; 29.949 90; 90; 120 | 5275.62 | Ekimenkova, I.A.; Rastsvetaeva, R.K.; Khomyakov, A.P. Crystal structure of the Fe, Cl - analogue of kentbrooksite Doklady Akad. Nauk, 2000, 370, 477-480 |
| 1521263 | CIF | O3 Pb Ti0.6 Zr0.4 | R 3 m :H | 5.739; 5.739; 14.1339 90; 90; 120 | 403.149 | Joseph, J.; Sivasubramanian, V.; Vimala, T.M.; Murthy, V.R.K. Structural investigations on Pb (Zrx Ti1-x) O3 solid solutions using the X-ray Rietveld method Journal of Materials Science, 2000, 35, 1571-1575 |
| 1521266 | CIF | O3 Pb Ti0.47 Zr0.53 | R 3 m :H | 5.7651; 5.7651; 14.184 90; 90; 120 | 408.266 | Joseph, J.; Vimala, T.M.; Sivasubramanian, V.; Murthy, V.R.K. Structural investigations on Pb (Zrx Ti1-x) O3 solid solutions using the X-ray Rietveld method Journal of Materials Science, 2000, 35, 1571-1575 |
| 1521711 | CIF | Mo0.4 Nb0.6 S2 | R 3 m :H | 3.2624; 3.2624; 17.981 90; 90; 120 | 165.737 | Kalikhman, V.L.; Golubnichaya, A.A. Structure of intermediate phases in quasibinary systems of disulfides of W, Mo, and Nb Kristallografiya, 1983, 28, 801-802 |
| 1521745 | CIF | Nb0.52 O3 Pb Sc0.48 | R 3 m :H | 5.7644; 5.7644; 7.0859 90; 90; 120 | 203.908 | Perrin, C.; Menguy, N.; Suard, E.; Muller, C.; Caranoni, C.; Stepanov, A. Neutron diffraction study of the relaxor-ferroelectric phase transition in disordered Pb (Sc1/2 Nb1/2) O3 Journal of Physics: Condensed Matter, 2000, 12, 7523-7539 |
| 1521757 | CIF | Cl Cu3 S3 Te | R 3 m :H | 7.3502; 7.3502; 10.3873 90; 90; 120 | 485.995 | Pfitzner, A.; Reiser, S.; Nilges, T.; Kockelmann, W. Composite copper chalcogenide halides: neutron powder diffraction of Cu Cl Cu2 Te S3 and electrical properties of Cu Cl Cu2 Te S3, (Cu I)2 Cu3 Sb S3, and (Cu I)3 Cu2 Te S3 Journal of Solid State Chemistry, 1999, 147, 170-176 |
| 1521821 | CIF | Ca9.15 Ce0.08 Cl0.21 Fe2.11 H8.54 Hf0.05 Mn0.22 Na10.57 Nb0.58 O79.2 Si25.2 Ti0.05 Zr3.05 | R 3 m :H | 14.255; 14.255; 30.17 90; 90; 120 | 5309.34 | Rastsvetaeva, R.K.; Ekimenkova, I.A.; Pekov, I.V. Crystal structure of a new Ca-rich analog of eudialyte Doklady Akad. Nauk, 1999, 368, 636-638 |
| 1522189 | CIF | Bi La2 O4.5 | R 3 m :H | 3.966; 3.966; 9.931 90; 90; 120 | 135.279 | Wolcyrz, M.; Horyn, R.; Bouree, F. Structural peculiarities of Bi La2 O4.5+d examined by X-ray and neutron powder diffraction Journal of Physics: Condensed Matter, 1999, 11, 5757-5765 |
| 1523416 | CIF | Al3.1 Ba5 Cu1.9 | R 3 m :H | 6.14; 6.14; 37.281 90; 90; 120 | 1217.18 | Cordier, G.; Roehr, C. Zur Kenntnis der ternaeren Aluminide Ba5 Cu1.9 Al3.1, Ba16 Ag7 Al27 und Ba3 Ag14.6 Al6.4 Journal of the Less-Common Metals, 1991, 170, 333-357 |
| 1524107 | CIF | Cl O3 Rb | R 3 m :H | 6.092; 6.092; 8.173 90; 90; 120 | 262.683 | Brunton, G. The absolute configuration of Rb Cl O3 Materials Research Bulletin, 1973, 8, 791-794 |
| 1524802 | CIF | K7.5003 Mo2.0001 O24.0003 Y1.5 | R 3 m :H | 6.035; 6.035; 20.52 90; 90; 120 | 647.236 | Lazoryak, B.I.; Efremov, V.A. Structural characteristics of K5 Y (Mo O4)4-alpha crystals Kristallografiya, 1981, 26, 464-472 |
| 1525005 | CIF | Al3.92 B3 Ca0.16 Cr2.18 H4 Mg2.8 Na0.84 O31 Si6 | R 3 m :H | 15.997; 15.997; 7.287 90; 90; 120 | 1614.94 | Nuber, B.; Schmetzer, K. Die Gitterposition des Cr(+3) im Turmalin: Strukturverfeinerung eines Cr-reichen Mg-Al-Turmalin Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1979, 137, 184-197 |
| 1525006 | CIF | Al7.599 B3 Ca0.65 Li1.401 Na0.35 O30.15 Si6 | R 3 m :H | 15.875; 15.875; 7.126 90; 90; 120 | 1555.26 | Nuber, B.; Schmetzer, K. Strukturverfeinerung von Liddicoatit Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1981, 1981, 215-219 |
| 1525220 | CIF | Al5.47 B3 Ca0.67 H3.9 Mg3.53 Na0.33 O31 Si6 | R 3 m :H | 15.967; 15.967; 7.213 90; 90; 120 | 1592.55 | Schmetzer, K.; Abraham, K.; Nuber, B. Zur Kristallchemie magnesium-reicher Turmaline Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1979, 136, 93-112 |
| 1525221 | CIF | Al6.36 B3 Ca0.27 H3.5 Mg2.64 Na0.65 O31 Si6 | R 3 m :H | 15.923; 15.923; 7.201 90; 90; 120 | 1581.15 | Schmetzer, K.; Nuber, B.; Abraham, K. Zur Kristallchemie magnesium-reicher Turmaline Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-), 1979, 136, 93-112 |
| 1525528 | CIF | Cr Cu S2 | R 3 m :H | 3.482; 3.482; 18.686 90; 90; 120 | 196.202 | le Nagard, N.; Collin, G.; Gorochov, O. Etude structurale et proprietes physiques de Cu Cr S2 Materials Research Bulletin, 1979, 14, 1411-1417 |
| 1525953 | CIF | Ca4.85 Cl1.1 Fe1.983 H6.12 Hf0.045 K0.24 La0.3 Mn1.52 Na12.96 Nb0.7 O77.02 Si25.3 Sr1.8 Ti0.192 Zr3.105 | R 3 m :H | 14.245; 14.245; 29.959 90; 90; 120 | 5264.81 | Ekimenkova, I.A.; Rastsvetaeva, R.K.; Khomyakov, A.P. Refinement of the crystal structure of a Fe,Sr - analog of kentbrooksite Kristallografiya, 2000, 45, 1010-1013 |
| 1526324 | CIF | Al0.52 Ca2.7 Ce0.33 Cl0.53 Fe1.302 H5.27 K0.3 Mn Na17.553 Nb0.2 O77.46 Si24.96 Sr0.453 Ti0.3 Zr4.2 | R 3 m :H | 14.222; 14.222; 30.165 90; 90; 120 | 5283.91 | Rastsvetaeva, R.K.; Khomyakov, A.P. Crystal structure of a hyperzirconium analog of eudialyte Kristallografiya, 2000, 45, 251-253 |
| 1526330 | CIF | Al0.19 Ca11.67 Ce0.03 Cl2.43 Fe2.19 H7.85 Hf0.06 K7.68 Mn0.36 Na27.31 Nb0.1 O150.8 Si51.51 Sr0.77 Ti0.6 Zr5.34 | R 3 m :H | 14.249; 14.249; 60.969 90; 90; 120 | 10720.3 | Rastsvetaeva, R.K.; Khomyakov, A.P. Modulated structure of a potassium-rich analog of eudialyte with a doubled parameter c Kristallografiya, 2001, 46, 715-721 |
| 1526456 | CIF | Fe0.5 O3 Pb Ta0.5 | R 3 m :H | 5.6618; 5.6618; 6.9407 90; 90; 120 | 192.683 | Ivanov, S.A.; Eriksson, S.; Thomas, N.W.; Tellgren, R.; Rundlof, H. A neutron powder diffraction study of the ferroelectric relaxor Pb (Fe1/2 Ta1/2) O3 Journal of Physics: Condensed Matter, 2001, 13, 25-33 |
| 1527069 | CIF | Fe3.808 Ni3.808 Te5.984 | R 3 m :H | 3.972; 3.972; 20.34 90; 90; 120 | 277.907 | Akesson, G.; Rost, E. The crystal structure of Fe0.28 Ni0.28 Te0.44 Acta Chemica Scandinavica (1-27,1973-42,1988), 1973, 27, 79-84 |
| 1527148 | CIF | I3 S24 Sb | R 3 m :H | 24.817; 24.817; 4.4279 90; 90; 120 | 2361.71 | Bjorvatten, T.; Lindheim, A.; Hassel, O. Crystal structure of the addition compound Sb I3:3 S8 Acta Chemica Scandinavica (1-27,1973-42,1988), 1963, 17, 689-702 |
| 1527527 | CIF | As Se3 Tl3 | R 3 m :H | 9.87; 9.87; 7.094 90; 90; 120 | 598.489 | Hong, H.Y.-P.; Mikkelsen, J.C.Jr.; Roland, G.W. Crystal structure of Tl3 As Se3 Materials Research Bulletin, 1974, 9, 365-370 |
| 1527926 | CIF | Bi2 Ge3 Te6 | R 3 m :H | 4.21; 4.21; 61 90; 90; 120 | 936.321 | Petrov, I.I.; Imamov, R.M. Crystal structure determination for Ge3 Bi2 Te6 Kristallografiya, 1970, 15, 168-170 |
| 1528147 | CIF | S16 Ti9.2 | R 3 m :H | 3.42; 3.42; 137.7 90; 90; 120 | 1394.82 | Tronc, E.; Huber, M. Polytypisme dans le systeme titane-soufre Journal of Physics and Chemistry of Solids, 1973, 34, 2045-2058 |
| 1528187 | CIF | F2 N5 P S3 | R 3 m :H | 18.91; 18.91; 5.302 90; 90; 120 | 1641.93 | Weiss, J.; Appel, R.; Ruppert, I. Die Kristall- und Molekuelstruktur von S3 N5 P F2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1974, 406, 329-336 |
| 1528775 | CIF | In2 Se3 | R 3 m :H | 4.05; 4.05; 28.77 90; 90; 120 | 408.677 | Osamura, K.; Murakami, Y.; Tomiie, Y. Crystal Structures of alpha and beta- indium selenide, = In2 Se3 Journal of the Physical Society of Japan, 1966, 21, 1848-1848 |
| 1528898 | CIF | C5 Al4 Zr2 | R 3 m :H | 3.32169; 3.32169; 40.9479 90; 90; 120 | 391.274 | Sugiura, K.; Iwata, T.; Yoshida, H.; Hashimoto, S.; Fukuda, K. Synthesis, crystal structures and Si solubilities of new layered carbides Zr2 Al4 C5 and Zr3 Al4 C6 Journal of Solid State Chemistry, 2008, 181, 2864-2868 |
| 1528899 | CIF | C6 Al4 Zr3 | R 3 m :H | 3.31807; 3.31807; 48.9771 90; 90; 120 | 466.976 | Sugiura, K.; Iwata, T.; Yoshida, H.; Hashimoto, S.; Fukuda, K. Synthesis, crystal structures and Si solubilities of new layered carbides Zr2 Al4 C5 and Zr3 Al4 C6 Journal of Solid State Chemistry, 2008, 181, 2864-2868 |
| 1528933 | CIF | Mo Se2 | R 3 m :H | 3.292; 3.292; 19.392 90; 90; 120 | 182.001 | Towle, L.C.; Oberbeck, V.; Stajdohar, R.E.; Brown, B.E. Molybdenum Diselenide: Rhombohedral High Pressure - High Temperature Polymorph Science, 1966, 154, 895-896 |
| 1529124 | CIF | Co Na0.6 O2 | R 3 m :H | 2.831; 2.831; 16.53 90; 90; 120 | 114.732 | Fouassier, C.; Matejka, G.; Reau, J.M.; Hagenmuller, P. Sur de Nouveaux Bronzes Oxygenes de Formule Nax Co O2 (x below or equal to 1). Le Systeme Cobalt-Oxygene-Sodium Journal of Solid State Chemistry, 1973, 6, 532-537 |
| 1529514 | CIF | Cr0.7 Na0.7 S2 Ti0.3 | R 3 m :H | 3.48; 3.48; 20.55 90; 90; 120 | 215.527 | Abou Ghaloun, O.; Rouxel, J.; Chevalier, P.; Trichet, L. Structural, electrical, magnetic and NMR study of the Nax Crx Ti(1-x) S2 system Solid State Ionics, 1981, 2, 231-235 |
| 1530653 | CIF | Cr S2 Tl | R 3 m :H | 3.538; 3.538; 21.92 90; 90; 120 | 237.622 | Rosenberg, M.; Knulle, A.; Platte, C.; Sabrowsky, H. Magnetic properties and structure of some ternary chromium chalcogenides with thallium and silver Journal of Physics and Chemistry of Solids, 1982, 43, 87-95 |
| 1530672 | CIF | Mo0.5 S2 Ta0.5 | R 3 m :H | 3.246; 3.246; 18.077 90; 90; 120 | 164.951 | Saeki, M.; Onoda, M. Preparation of 3s-type Mo.5 Ta.5 S2 Journal of the Less-Common Metals, 1987, 135, 1-3 |
| 1530902 | CIF | Cl2 Zr | R 3 m :H | 3.382; 3.382; 19.38 90; 90; 120 | 191.969 | Troyanov, S.I.; Tsyrelnikov, V.I. Synthesis and investigation of structure of zirconium dichloride Vestnik Moskovskogo Universiteta, Khimiya, 1973, 14, 67-71 |
| 1531361 | CIF | Ca6 Cl Fe3 H5 Na12 O71 Si24 Zr3 | R 3 m :H | 14.248; 14.248; 30.02199 90; 90; 120 | 5278.1 | Golyshev, V.M.; Simonov, V.I.; Belov, N.V. Crystal structure of eudialyte Kristallografiya, 1972, 17, 1119-1123 |
| 1531368 | CIF | Al7.48 B3 Ca0.01 F0.43 Fe0.021 H3.25 Li0.37 Mn1.21 Na0.8 O30.57 Si5.8 | R 3 m :H | 15.9456; 15.9456; 7.1384 90; 90; 120 | 1571.86 | Ertl, A.; Hughes, J.M.; Prowatke, S.; Fritz, E.A.; Rossman, G.R.; London, D. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra and relations to synthetic solid solutions American Mineralogist, 2003, 88, 1369-1376 |
| 1531370 | CIF | Al7.4 B3 Ca0.03 F0.48 Fe0.02 H3.33 Li0.48 Mn1.14 Na0.77 O30.52 Si5.83 Ti0.01 | R 3 m :H | 15.941; 15.941; 7.136 90; 90; 120 | 1570.42 | Ertl, A.; Fritz, E.A.; Hughes, J.M.; Rossman, G.R.; London, D.; Prowatke, S. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra and relations to synthetic solid solutions American Mineralogist, 2003, 88, 1369-1376 |
| 1531372 | CIF | Al6.78 B3.24 Ca0.1 F0.11 Fe1.8 H3.31 K0.06 Mg0.198 Mn0.018 Na0.64 O30.89 Si5.76 Ti0.11 Zn0.03 | R 3 m :H | 15.951; 15.951; 7.164 90; 90; 120 | 1578.56 | Ertl, A.; Hughes, J.M. The crystal structure of an aluminum-rich schorl overgrown by boron-rich olenite from Koralpe, Styria, Austria Mineralogy and Petrology, 2002, 75, 69-78 |
| 1531994 | CIF | Al5.59 B3 Ca0.14 Fe2.3 H4 Mg1.11 Na0.78 O31 Si6 | R 3 m :H | 15.9856; 15.9856; 7.1892 90; 90; 120 | 1591 | Ondrus, P.; Vrana, S.; Maslan, M. Chemical composition and crystal structure refinement of schorl from the Lundazi pegmatite field, Zambia Bulletin of the Czech Geological Survey, 2002, 77, 23-28 |
| 1532779 | CIF | Ba Fe0.5 O3 Ta0.5 | R 3 m :H | 5.7414; 5.7414; 7.0317 90; 90; 120 | 200.737 | Li Guobao; Lin Jianhua; Liao Fuhui; Tian Shujian; Liu Shixiang; Kohn, K.; Jing Xiping; Uesu, Y.; Cheng Zhaohua; Saitoh, K.; Terauchi, M.; Di Nai-Li The structural and electric properties of the perovskite system (Ba Ti O3) - (Ba (Fe0.5 Ta0.5) O3) Journal of Solid State Chemistry, 2004, 177, 1695-1703 |
| 1533706 | CIF | La0.82 Mn O3.021 Sr0.17 | R 3 m :H | 5.529; 5.529; 6.6849 90; 90; 120 | 176.978 | Belous, A.G.; Pashkova, E.V.; V'yunov, O.I.; Yanchevskii, O.Z.; Tovstolytkin, A.I.; Pogorelyi, A.M. Effects of chemical composition and sintering temperature on the structure of La1-x Srx Mn O3+d solid solutions Neorganicheskie Materialy, 2003, 39, 212-222 |
| 1533714 | CIF | La0.83 Mn O3.068 Sr0.17 | R 3 m :H | 5.5376; 5.5376; 6.6872 90; 90; 120 | 177.59 | Belous, A.G.; V'yunov, O.I.; Pashkova, E.V.; Tovstolytkin, A.I.; Yanchevskii, O.Z.; Pogorelyi, A.M. Effects of chemical composition and sintering temperature on the structure of La1-x Srx Mn O3+d solid solutions Neorganicheskie Materialy, 2003, 39, 212-222 |
| 1533718 | CIF | La0.76 Mn O3.047 Sr0.23 | R 3 m :H | 5.522; 5.522; 6.6862 90; 90; 120 | 176.564 | Belous, A.G.; V'yunov, O.I.; Tovstolytkin, A.I.; Pashkova, E.V.; Yanchevskii, O.Z.; Pogorelyi, A.M. Effects of chemical composition and sintering temperature on the structure of La1-x Srx Mn O3+d solid solutions Neorganicheskie Materialy, 2003, 39, 212-222 |
| 1533722 | CIF | La0.69 Mn O3.054 Sr0.3 | R 3 m :H | 5.4941; 5.4941; 6.6711 90; 90; 120 | 174.39 | Belous, A.G.; Yanchevskii, O.Z.; V'yunov, O.I.; Pashkova, E.V.; Tovstolytkin, A.I.; Pogorelyi, A.M. Effects of chemical composition and sintering temperature on the structure of La1-x Srx Mn O3+d solid solutions Neorganicheskie Materialy, 2003, 39, 212-222 |
| 1533726 | CIF | La0.7 Mn O3.054 Sr0.3 | R 3 m :H | 5.485; 5.485; 6.67 90; 90; 120 | 173.784 | Belous, A.G.; V'yunov, O.I.; Yanchevskii, O.Z.; Pashkova, E.V.; Tovstolytkin, A.I.; Pogorelyi, A.M. Effects of chemical composition and sintering temperature on the structure of La1-x Srx Mn O3+d solid solutions Neorganicheskie Materialy, 2003, 39, 212-222 |
| 1533960 | CIF | I K O3 | R 3 m :H | 6.3396; 6.3396; 7.9242 90; 90; 120 | 275.81 | Kasatani, H.; Katayama, R.; Aoyagi, S.; Yagi, K.; Kuroiwa, Y.; Terauchi, H. Study of crystal structure at high temperature phase in K I O3 crystal by synchrotron powder X-ray diffraction Nuclear Instruments and Methods in Physics Research B: Beam Interaction with Materials and Atoms, 2003, 199, 49-53 |
| 1534015 | CIF | Al6.18 B3 Ca0.18 F0.12 H3.68 Mg2.82 Na0.66 O30.88 Si6 | R 3 m :H | 15.9459; 15.9459; 7.1723 90; 90; 120 | 1579.38 | Pertlik, F.; Ertl, A.; Schuster, R.; Brandstaetter, F.; Koerner, W. Na-rich dravite in the marbles from Friesach, Carinthia, Austria: chemistry and crystal structure Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 2003, 2003, 277-288 |
| 1534298 | CIF | Ag Cr S2 | R 3 m :H | 3.496; 3.496; 20.53 90; 90; 120 | 217.301 | Bongers, P.F.; van Bruggen, C.F.; Koopstra, J.; Omloo, W.P.F.A.M.; Wiegers, G.A.; Jellinek, F. Structures and magnetic properties of some metal(I) chromium(III) sulfides and selenides Journal of Physics and Chemistry of Solids, 1968, 29, 977-984 |
| 1534299 | CIF | Cr Cu Se2 | R 3 m :H | 3.676; 3.676; 19.37 90; 90; 120 | 226.679 | Bongers, P.F.; Jellinek, F.; van Bruggen, C.F.; Koopstra, J.; Omloo, W.P.F.A.M.; Wiegers, G.A. Structures and Magnetic Properties of Some Metal(I) Chromium(III) Sulfides and Selenides Journal of Physics and Chemistry of Solids, 1968, 29, 977-984 |
| 1534300 | CIF | Ag Cr Se2 | R 3 m :H | 3.682; 3.682; 21.23 90; 90; 120 | 249.257 | Bongers, P.F.; Omloo, W.P.F.A.M.; van Bruggen, C.F.; Koopstra, J.; Wiegers, G.A.; Jellinek, F. Structures and Magnetic Properties of Some Metal(I) Chromium(III) Sulfides and Selenides Journal of Physics and Chemistry of Solids, 1968, 29, 977-984 |
| 1534648 | CIF | In Se | R 3 m :H | 4; 4; 24.95 90; 90; 120 | 345.717 | Gomez da Costa, P.; Dandrea, R.G.; Wallis, R.F.; Balkanski, M. First-principles study of the electronic structure of gamma-InSe and beta-InSe Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1993, 48, 14135-14141 |
| 1535305 | CIF | Cl8 Na2 Ti3 | R 3 m :H | 6.991; 6.991; 20.311 90; 90; 120 | 859.687 | Hinz, D.J.; Dedecke, T.; Meyer, G.; Urland, W. Natrium-octachlorotrititanat(II), Na2 Ti3 Cl8: Von isolierten (Ti2)+ -Ionen zu (Ti3)6+ -Clustern ? Angewandte Chemie (Edition international), 1995, 34, 71-73 |
| 1535328 | CIF | Br1.94 Ce H | R 3 m :H | 4.06; 4.06; 20.973 90; 90; 120 | 299.394 | Michaelis, C.; Borrmann, H.; Mattausch, H.J.; Cockcroft, J.K.; Simon, A. Ln Hal2 Hn - Neue Phasen in den ternaeren Systemen Ln/Hal/H. I. Strukturen Zeitschrift fuer Anorganische und Allgemeine Chemie, 1992, 607, 29-33 |
| 1535425 | CIF | Al10.724 Ba0.638 Mg0.276 O17 | R 3 m :H | 5.619; 5.619; 31.084 90; 90; 120 | 849.935 | Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics, 1983, 9, 301-306 |
| 1535427 | CIF | Al10.234 Mg0.766 O17 Pb0.883 | R 3 m :H | 5.61; 5.61; 33.967 90; 90; 120 | 925.792 | Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics, 1983, 9, 301-306 |
| 1535429 | CIF | Al10.286 Mg0.714 O17 Sr0.857 | R 3 m :H | 5.61; 5.61; 33.72 90; 90; 120 | 919.06 | Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics, 1983, 9, 301-306 |
| 1535432 | CIF | Al10.1 Ca0.95 Mg0.9 O17 | R 3 m :H | 5.613; 5.613; 33.27 90; 90; 120 | 907.765 | Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics, 1983, 9, 301-306 |
| 1535435 | CIF | Al10.058 Cd0.971 Mg0.942 O17 | R 3 m :H | 5.62; 5.62; 33.146 90; 90; 120 | 906.639 | Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics, 1983, 9, 301-306 |
| 1535438 | CIF | Al10.27 Mg0.73 O17 Zn0.865 | R 3 m :H | 5.623; 5.623; 33.517 90; 90; 120 | 917.766 | Thomas, J.O.; Alden, M.; Farrington, G.C. The relationship between structure and ionic conductivity in divalent beta-aluminas Solid State Ionics, 1983, 9, 301-306 |
| 1535540 | CIF | Mo S2 | R 3 m :H | 3.16; 3.16; 18.32999 90; 90; 120 | 158.514 | Traill, R.J. A rhombohedral polytype of molybdenite Canadian Mineralogist, 1962, 7, 524-526 |
| 1536059 | CIF | Co19.5 O48 | R 3 m :H | 13.1; 13.1; 7.98 90; 90; 120 | 1185.98 | Jansen, M.; Kastner, P.; Hoppe, R. Zur Kenntnis der Systeme Li2 O/Co O und Li2 O/Zn O Zeitschrift fuer Anorganische und Allgemeine Chemie, 1975, 414, 69-75 |
| 1536063 | CIF | O3 Zn0.64125 | R 3 m :H | 13.14; 13.14; 7.99 90; 90; 120 | 1194.73 | Jansen, M.; Hoppe, R.; Kastner, P. Zur Kenntnis der Systeme Li2 O/Co O und Li2 O/Zn O Zeitschrift fuer Anorganische und Allgemeine Chemie, 1975, 414, 69-75 |
| 1536215 | CIF | Cu2.5 Fe0.5 S2 | R 3 m :H | 3.862; 3.862; 19.97499 90; 90; 120 | 258.013 | Daams, J.L.C.; Villars, P. Atomic environment classification of the rhombohedral "intermetallic" structure types Journal of Alloys Compd., 1993, 201, 11-16 |
| 1536455 | CIF | As I3 S24 | R 3 m :H | 24.739; 24.739; 4.412 90; 90; 120 | 2338.46 | Kelly, J.F.; Krausz, E.; Samoc, A.; Samoc, M.; Willis, A.C. Crystal structure of the second order nonlinear optical addition complex, (As I3) * 3(S8) Australian Journal of Chemistry, 2002, 55, 709-714 |
| 1536589 | CIF | Cl13 H3 O2 S0.5 Te3 | R 3 m :H | 11.1455; 11.1455; 17.552 90; 90; 120 | 1888.24 | Pietikainen, J.; Maaninen, A.; Valkonen, J.; Laitinen, R.S.; Oilunkaniemi, R. Halogenation of tellurium by S O2 Cl2. Formation and crystal structures of (H3 O) (Te3 Cl13) * 0.5(S O2), ((C4 H8 O)2 H) (Te Cl5) * (C4 H8 O), ((Me2 S O)2 H)2 (Te Cl6) and (Ni (N C C H3)6) (Te2 Cl10) Polyhedron, 2002, 21, 1089-1095 |
| 1536844 | CIF | Al0.14 Ca6 Cl1.5 Fe1.2 H27 K2.2 Na3.8 Nb0.05 O85 Si25 Ti0.25 Zr3.39 | R 3 m :H | 14.245; 14.245; 30.12 90; 90; 120 | 5293.1 | Rastsvetaeva, R.K.; Sokolova, M.N.; Borutskii, B.E. Crystal structure of potassium-oxonic eudialyte Kristallografiya, 1990, 35, 1381-1387 |
| 1537382 | CIF | Cr Cu Se2 | R 3 m :H | 3.669; 3.669; 19.4 90; 90; 120 | 226.166 | Hahn, H.; de Lorent, V. Ueber ternaere Chalkogenide des Chroms mit einwertigem Kupfer und Silber Zeitschrift fuer Anorganische und Allgemeine Chemie, 1957, 290, 68-81 |
| 1537383 | CIF | Cr Cu S2 | R 3 m :H | 3.492; 3.492; 18.87 90; 90; 120 | 199.274 | Hahn, H.; de Lorent, V. Ueber ternaere Chalkogenide des Chroms mit einwertigem Kupfer und Silber Zeitschrift fuer Anorganische und Allgemeine Chemie, 1957, 290, 68-81 |
| 1537648 | CIF | Ga In S3 | R 3 m :H | 3.808; 3.808; 45.894 90; 90; 120 | 576.342 | Amiraslanov, I.R.; Guseinov, G.G.; Kuliev, A.S.; Mamedov, Kh.S.; Amirov, A.S. Crystal structure of three-packet polytype of Ga In S3 Kristallografiya, 1988, 33, 767-768 |
| 1538413 | CIF | Ca3 O5 Si | R 3 m :H | 7.078; 7.078; 24.94 90; 90; 120 | 1082.05 | O'Daniel, H.; Hellner, E. Zur Struktur von 3 Ca O. Si O2 Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1950, 1950, 108-111 |
| 1538514 | CIF | Al3 Ba0.95 H7 O14 P2 | R 3 m :H | 7.0363; 7.0363; 17.28188 90; 90; 120 | 740.987 | Radoslovich, E.W.; Slade, P.G. Pseudo-trigonal symmetry and the structure of Gorceixite Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1980, 1980, 157-170 |
| 1538517 | CIF | Al0.3 Ca6 Cl0.8 Fe1.35 H6.72 Na14 Nb0.13 O77.12 Si25.28 Ta0.51 Ti0.2 W0.09 Zr3 | R 3 m :H | 14.245; 14.245; 30.163 90; 90; 120 | 5300.66 | Rastsvetaeva, R.K.; Moekkel, S.; Chukanov, N.V. Characteristic structural features of a tantalum-rich eudialyte variaty from Brazil Kristallografiya, 2003, 48, 250-255 |
| 1539328 | CIF | Na S2 V | R 3 m :H | 3.346; 3.346; 21.02 90; 90; 120 | 203.805 | Wiegers, G.A.; Kloosterboer, H.J.; van Heiningen, H.; van der Meer, R.; Alberink, A.J.A. The sodium intercalates of vanadium disulfide and their hydrolysis products Materials Research Bulletin, 1974, 9, 1261-1261 |
| 1539728 | CIF | Ge Te | R 3 m :H | 8.378; 8.378; 10.65 90; 90; 120 | 647.382 | Chattopadhyay, T.K.; Boucherle, J.X.; von Schnering, H.G. Neutron diffraction study on the structural phase transition in Ge Te Journal of Physics C, 1987, 20, 1431-1440 |
| 1539764 | CIF | In2 S4 Zn | R 3 m :H | 3.87; 3.87; 74.15 90; 90; 120 | 961.753 | Biyushkina, A.V.; Donika, F.G.; Radautsan, S.I. Crystal structure of a six-stack polytype Zn In2 S4 (VI)a Doklady Akademii Nauk SSSR, 1989, 306, 617-619 |
| 1539815 | CIF | In2 S5 Zn2 | R 3 m :H | 3.85; 3.85; 46.27 90; 90; 120 | 593.952 | Donika, F.G.; Radautsan, S.I.; Mustya, I.G.; Kiosse, G.A.; Semiletov, S.A.; Donika, T.V. Crystal structure of the double-pack polytype Zn In2 S4 (II)a, and more careful determination of the structure of the triple-pack polytype Zn In2 S4 (III)a Soviet Physics, Crystallography (= Kristallografiya), 1971, 15, 698-700 |
| 1541569 | CIF | Ca6 Cl2 Fe3 H6 Na12 O72 Si24 Zr3 | R 3 m :H | 14.252; 14.252; 30.01799 90; 90; 120 | 5280.36 | Golyshev, V.M.; Simonov, V.I.; Belov, N.V. Crystal Structure of Eudialite Kristallografiya, 1971, 16, 93-98 |
| 1541661 | CIF | C Si | R 3 m :H | 3.08; 3.08; 241.9 90; 90; 120 | 1987.32 | Tokonami, M. The structure determination of the 96R polytype of Si C by a direct method Mineralogical Journal (Japan), 1966, 4, 401-423 |
| 1541720 | CIF | Al7.7 B3 H2.9 Li0.4 Mn0.9 Na0.89 O31 Si6 | R 3 m :H | 15.916; 15.916; 7.13 90; 90; 120 | 1564.19 | Nuber, B.; Schmetzer, K. Structural refinement of tsilaisite (manganese tourmaline) Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1984, 1984, 301-304 |
| 1542099 | CIF | C H4 O6 Pb2 | R 3 m :H | 5.23; 5.23; 23.81999 90; 90; 120 | 564.255 | Voronova, A.A.; Vainshtein, B.K. An electron-diffraction study of the crystal structure of Pb C O3 Pb O (H2 O)2 Kristallografiya, 1964, 9, 197-203 |
| 1544435 | CIF | Nb0.667 O3 Pb Zn0.333 | R 3 m :H | 5.7411; 5.7411; 7.044 90; 90; 120 | 201.07 | Matsushima, Y.; Ishizawa, N.; Wakiya, N.; Mizutani, N. Structural study of PbZn1/3Nb2/3O3 by single crystal X-ray diffraction an EXAFS Journal of the Ceramic Society of Japan, 2000, 108, 617-622 |
| 1544496 | CIF | C6 Al3.96 Ge0.04 Zr3 | R 3 m :H | 3.31897; 3.31897; 46.7309 90; 90; 120 | 445.801 | Sugiura, K.; Iwata, T.; Sunada, N.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Ge-bearing layered carbides Zr2Al4C5 and Zr3Al4C6 Journal of the Ceramic Society of Japan, 2009, 117, 22-26 |
| 1544497 | CIF | C5 Al3.93 Ge0.07 Zr2 | R 3 m :H | 3.32256; 3.32256; 40.9434 90; 90; 120 | 391.435 | Sugiura, K.; Iwata, T.; Sunada, N.; Hashimoto, S.; Nakano, H.; Fukuda, K. Syntheses and crystal structures of Ge-bearing layered carbides Zr2Al4C5 and Zr3Al4C6 Journal of the Ceramic Society of Japan, 2009, 117, 22-26 |
| 1544625 | CIF | Al7 B3 Ca Fe3 H4 O31 Si5 | R 3 m :H | 15.929; 15.929; 7.183 90; 90; 120 | 1578.39 | Nishio-Hamane, D.; Minakawa, T.; Yamaura, J.-I.; 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 |
| 1544862 | CIF | Al8.4 B3.42 H3 Li0.6 Na0.7 O31 Si5.58 | R 3 m :H | 15.816; 15.816; 7.0944 90; 90; 120 | 1536.88 | Sugiyama, K.; Arima, H.; Konno, H.; Kawamata, T. Distribution of Mn in pink elbaitic tourmaline from Mogok, Myanmar Journal of Mineralogical and Petrological Sciences, 2016, 111, 1-8 |
| 1544908 | CIF | Al7.2 B3 Ca0.09 F0.72 H3 K0.06 Na0.64 O30 Si6 | R 3 m :H | 15.874; 15.874; 7.116 90; 90; 120 | 1552.9 | Kihara, K.; Hirata, H.; Ida, A.; Okudera, H.; Morishita, T. An X-ray single crystal study of asymmetric thermal vibrations and the positional disorder of atoms in elbaite Refinement type: harmonic Journal of Mineralogical and Petrological Sciences, 2007, 102, 115-126 |
| 1545896 | CIF | F15 Pr Zr3 | R 3 m :H | 12.316; 12.316; 6.115 90; 90; 120 | 803.3 | Laval, J. P.; Abaouz, A. Crystal chemistry of anion-excess ReO3-related phases : crystal structure of beta-PrZr3F15 Journal of Solid State Chemistry, 1992, 96, 324-331 |
| 1556735 | CIF | Al7 B3 K Mg2 O28 Si6 | R 3 m :H | 15.955; 15.955; 7.227 90; 90; 120 | 1593.2 | Lussier, A.; Ball, N.A.; Hawthorne, F.C.; Henry, D.J.; Shimizu, R.; Ogasawara, Y.; Ota, T. Maruyamaite, K(MgAl2)(Al5Mg)Si6O18(BO3)3O, a potassium-dominant tourmaline from the ultrahigh-pressure Kokchetav massif, northern Kazakhstan: Description and crystal structure American Mineralogist, 2016, 101, 355-361 |
| 1556971 | CIF | B3 H4 Mg3 Na O30 Si6 V6 | R 3 m :H | 16.1908; 16.1908; 7.4143 90; 90; 120 | 1683.21 | Bosi, F.; Reznitskii, L.Z.; Sklyarov, E.V. Oxy-vanadium-dravite, NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O: Crystal structure and redefinition of the "vanadium-dravite" tourmaline American Mineralogist, 2013, 98, 501-505 |
| 1556976 | CIF | Al7 B3 Fe2 H3 Na O31 Si6 | R 3 m :H | 15.9853; 15.9853; 7.1538 90; 90; 120 | 1583.1 | Bacik, P.; Cempirek, J.; Uher, P.; Novak, M.; Ozdin, D.; Filip, J.; Skoda, R.; Breiter, K.; Klementova, M.; Duda, R.; Groat, L.A. Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic : sample from Pribyslavice American Mineralogist, 2013, 98, 485-492 |
| 1556977 | CIF | Al7 B3 Fe2 H3 Na O31 Si6 | R 3 m :H | 15.916; 15.916; 7.1071 90; 90; 120 | 1559.2 | Bacik, P.; Cempirek, J.; Uher, P.; Novak, M.; Ozdin, D.; Filip, J.; Skoda, R.; Breiter, K.; Klementova, M.; Duda, R.; Groat, L.A. Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic : sample from Zlata Idka American Mineralogist, 2013, 98, 485-492 |
| 1557977 | CIF | Al7.95 B3 Ca0.01 F0.34 H3 Li1.05 Na0.58 O30.66 Si6 | R 3 m :H | 15.809; 15.809; 7.089 90; 90; 120 | 1534.3 | Novak, M.; Ertl, A.; Povondra, P.; Galiova, M.V.; Rossman, G.R.; Pristacz, H.; Prem, M.; Giester, G.; Gadas, P.; Skoda, R. Darrellhenryite, Na(LiAl2)Al6(BO3)3Si6O18(OH)3O, a new mineral from the tourmaline supergroup American Mineralogist, 2013, 98, 1886-1892 |
| 1562211 | CIF | C3 H3 Dy O6 | R 3 m :H | 10.384; 10.384; 3.952 90; 90; 120 | 369.04 | Zhang, Yingjie; Bhadbhade, Mohan; Scales, Nicholas; Karatchevtseva, Inna; Price, Jason R.; Lu, Kim; Lumpkin, Gregory R. Dysprosium complexes with mono-/di-carboxylate ligands—From simple dimers to 2D and 3D frameworks Journal of Solid State Chemistry, 2014, 219, 1-8 |
| 1569813 | CIF | Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 | R 3 m :H | 15.8313; 15.8313; 7.104 90; 90; 120 | 1541.94 | Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290 |
| 1569814 | CIF | Al8.08 B3.51 Ca0.25 F0.33 H3.36 Li0.76 Mn0.16 Na0.42 O31 Si5.49 | R 3 m :H | 15.8839; 15.8839; 7.116 90; 90; 120 | 1554.82 | Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290 |
| 1569815 | CIF | Al24.24 B10.53 Ca0.74 F0.2 H10.08 Li2.27 Mn0.49 Na1.26 Oi93 Si16.47 | R 3 m :H | 15.8345; 15.8345; 7.1039 90; 90; 120 | 1542.54 | Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290 |
| 1569816 | CIF | Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 | R 3 m :H | 15.874; 15.874; 7.1138 90; 90; 120 | 1552.41 | Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290 |
| 1570738 | CIF | C3 H18 Ge3 I9 N3 | R 3 m :H | 8.4602; 8.4602; 11.0201 90; 90; 120 | 683.09 | Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H. Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites Nature, 2023, 620, 328-335 |
| 2002649 | CIF | Ba Nb3 O6 | R 3 m :H | 11.4333; 11.4333; 3.4949 90; 90; 120 | 395.6 | Moehr, S; Mueller-Buschbaum, Hk Ueber ein gemischtvalentes Oxoniobat mit planaren Polygonen um Niob und Barium: Ba Nb2+ (Nb4+)2 O6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1994, 49, 915-918 |
| 2003109 | CIF Paper | C10 H15 Li | R 3 m :H | 14.7711; 14.7711; 3.82206 90; 90; 120 | 722.19 | Robert E. Dinnebier Disorder determined by high-resolution powder diffraction: structure of pentamethylcyclopentadienyllithium Acta Crystallographica Section B, 1999, 55, 35-44 |
| 2003323 | CIF Paper | Al8 B3 Li Na O31 Si6 | R 3 m :H | 15.818; 15.818; 7.087 90; 90; 120 | 1535.7 | MacDonald, D. J.; Hawthorne, F. C. Cu-Bearing Tourmaline from Paraiba, Brazil Acta Crystallographica Section C, 1995, 51, 555-557 |
| 2003324 | CIF Paper | Al8 B3 Li Na O31 Si6 | R 3 m :H | 15.805; 15.805; 7.084 90; 90; 120 | 1532.5 | MacDonald, D. J.; Hawthorne, F. C. Cu-Bearing Tourmaline from Paraiba, Brazil Acta Crystallographica Section C, 1995, 51, 555-557 |
| 2006974 | CIF | Ga3 O7 P | R 3 m :H | 7.885; 7.885; 6.727 90; 90; 120 | 362.21 | Sophie Boudin; Kwang-Hwa Lii Ga~3~PO~7~ Acta Crystallographica Section C, 1998, 54, 05-07 |
| 2015986 | CIF Paper | C16 H28 O3 | R 3 m :H | 15.711; 15.711; 5.792 90; 90; 120 | 1238.1 | Branko Kaitner; Vladimir Stilinović Conformational enantiomeric disorder in tripivaloylmethane Acta Crystallographica Section C, 2007, 63, o353-o354 |
| 2016801 | CIF HKL Paper | C9 H6 N12 S4 Zn4 | R 3 m :H | 13.9947; 13.9947; 8.4249 90; 90; 120 | 1428.97 | Park, Hyunsoo; Geiser, Urs; Halder, Gregory J.; Schlueter, John A. Poly[μ~4~-sulfido-tris(thiocyanato-κ<i>N</i>)tris(μ~3~-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)tetrazinc(II)]: a three-dimensional zinc sulfide coordination polymer Acta Crystallographica Section C, 2008, 64, m327-m329 |
| 2020160 | CIF | C2 Ba Ce F O6 | R 3 m :H | 5.07; 5.07; 38.40799 90; 90; 120 | 855.004 | Fan, H.-F.; Yao, J.-X.; Main, P.; Woolfson, M.M. On the application of phase relationships to complex structures. XXIII. Automatic determination of crystal structures having pseudo-translational symmetry by a modified MULTAN procedure Acta Crystallographica C (39,1983-), 1983, 39, 566-569 |
| 2020535 | CIF HKL | B Ge2 Li4 | R 3 m :H | 4.4603; 4.4603; 18.3197 90; 90; 120 | 315.63 | Pavlyuk, Volodymyr; Ciesielski, Wojciech; Rozdzynska-Kielbik, Beata; Dmytriv, Grygoriy; Ehrenberg, Helmut Li~4~Ge~2~B as a new derivative of the Mo~2~B~5~ and Li~5~Sn~2~ structure types Acta Crystallographica Section C, 2016, 72, 561-565 |
| 2101131 | CIF Paper | C9 H15 N3 O3 | R 3 m :H | 13.74; 13.74; 4.82 90; 90; 120 | 788 | Tereshko, V.; Monserrat, J. M.; Pérez-Folch, J.; Aymamí, J.; Fita, I.; Subirana, J. A. Structure of the stacked cyclic oligoamides: 1,6-diaza-2,7-cyclodecadione and 1,5,9-triaza-2,6,10-cyclododecatrione. A ring model of the α-helix Acta Crystallographica, Section B: Structural Science, 1994, 50, 243-251 |
| 2103389 | CIF Paper | C15 H21 Ni3 P3 | R 3 m :H | 16.861; 16.861; 5.611 90; 90; 120 | 1381.46 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103728 | CIF Paper | C13 Cl9 | R 3 m :H | 18.704; 18.704; 3.7792 90; 90; 120 | 1145 | Koutentis, P. A.; Haddon, R. C.; Oakley, R. T.; Cordes, A. W.; Brock, C. P. Perchlorophenalenyl radical, C~13~Cl~9~: a modulated structure with nine threefold-symmetric molecules in the asymmetric unit Acta Crystallographica Section B, 2001, 57, 680-691 |
| 2104621 | CIF Paper | K N O3 | R 3 m :H | 5.4698; 5.4698; 8.992 90; 90; 120 | 232.99 | Freney, Evelyn J.; Garvie, Laurence A. J.; Groy, Thomas L.; Buseck, Peter R. Growth and single-crystal refinement of phase-III potassium nitrate, KNO~3~ Acta Crystallographica Section B, 2009, 65, 659-663 |
| 2104622 | CIF Paper | K N O3 | R 3 m :H | 5.4325; 5.4325; 8.8255 90; 90; 120 | 225.56 | Freney, Evelyn J.; Garvie, Laurence A. J.; Groy, Thomas L.; Buseck, Peter R. Growth and single-crystal refinement of phase-III potassium nitrate, KNO~3~ Acta Crystallographica Section B, 2009, 65, 659-663 |
| 2104745 | CIF Paper | Al6.89 B3 Fe1.6 Li0.22 Mg0.05 Mn0.24 Na0.25 O31 Si6 | R 3 m :H | 15.9607; 15.9607; 7.19 90; 90; 120 | 1586.2 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
| 2104756 | CIF Paper | Al6.89 B3 Fe1.6 Li0.22 Mg0.05 Mn0.24 Na0.25 O31 Si6 | R 3 m :H | 15.9608; 15.9608; 7.19 90; 90; 120 | 1586.2 | Elliot, Alexander Dean Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~) Acta Crystallographica Section B, 2010, 66, 271-279 |
| 2105070 | CIF HKL Paper | C5 H6 Cl Cr N O3 | R 3 m :H | 8.8349; 8.8349; 9.396 90; 90; 120 | 635.15 | Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods Acta Crystallographica Section B, 2012, 68, 128-136 |
| 2105347 | CIF | Ag N O3 | R 3 m :H | 5.196; 5.196; 8.49 90; 90; 120 | 198.507 | Capponi, J.J.; Meyer, P. Structure d'une phase 'haute temperature' du nitrate d'argent Acta Crystallographica B (24,1968-38,1982), 1982, 38, 2543-2546 |
| 2106552 | CIF | In Se | R 3 m :H | 4; 4; 25.32 90; 90; 120 | 350.844 | Likforman, A.; Carre, D.; Bachet, J.E.; Bachet, B. Structure cristalline du monoseleniure d'indium In Se Acta Crystallographica B (24,1968-38,1982), 1975, 31, 1252-1254 |
| 2106968 | CIF | Cl3 Cs Mn | R 3 m :H | 7.29; 7.29; 27.48 90; 90; 120 | 1264.74 | Goodyear, J.; Kennedy, D.J. The crystal structure of Cs Mn Cl3 Acta Crystallographica B (24,1968-38,1982), 1973, 29, 744-748 |
| 2106998 | CIF | Cd I2 | R 3 m :H | 4.24; 4.24; 123.03 90; 90; 120 | 1915.46 | Jain, R.K.; Trigunayat, G.C.; Chadha, G.K. Crystal structures of four new polytypes of cadmium iodide Acta Crystallographica B (24,1968-38,1982), 1970, 26, 1785-1791 |
| 2107280 | CIF Paper | Br K O3 | R 3 m :H | 6.0104; 6.0104; 8.162 90; 90; 120 | 255.35 | Santamaría-Pérez, David; Chulia-Jordan, Raquel; Rodríguez-Hernández, Placida; Muñoz, Alfonso Crystal behavior of potassium bromate under compression Acta Crystallographica Section B, 2015, 71, 798-804 |
| 2107333 | CIF | C Si | R 3 m :H | 3.079; 3.079; 475.9778 90; 90; 120 | 3907.84 | Dubey, M.; Ram, U.S.; Singh, G. A new polytype of silicon carbide, 189R Acta Crystallographica B (24,1968-38,1982), 1973, 29, 1548-1550 |
| 2203238 | CIF | La N3 O6 | R 3 m :H | 10.6226; 10.6226; 4.0954 90; 90; 120 | 400.21 | Qing-Qing Kang; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng La(NO~2~)~3~, a novel (3,9)-connected lanthanide-based network Acta Crystallographica, Section E, 2004, 60, i12-i14 |
| 2204445 | CIF HKL Paper | C18 H21 Ag Cl N3 | R 3 m :H | 14.6795; 14.6795; 7.5114 90; 90; 120 | 1401.76 | Näther, Christian; Beck, Andreas Chlorotris(3-methylpyridine-κ<i>N</i>)silver(I) Acta Crystallographica Section E, 2004, 60, m1678-m1680 |
| 2209751 | CIF HKL Paper | C3 H3 O6 Sm | R 3 m :H | 10.503; 10.503; 4.006 90; 90; 120 | 382.7 | Yan Xu; Shao-Hua Ding; Guang-Peng Zhou; Yu-Guo Liu Samarium(III) formate Acta Crystallographica Section E, 2006, 62, m1749-m1750 |
| 2212304 | CIF HKL Paper | C54 H46 F12 N8 P2 Pd2 | R 3 m :H | 38.2597; 38.2597; 12.3356 90; 90; 120 | 15637.7 | Hai-Ping Huang; Qiong Wu; Li-Xia Liu; Qing-Fu Song Bis(μ-3,5-diphenylpyrazolato-κ^2^<i>N</i>:<i>N</i>')-bis[(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')palladium(II)] bis(hexafluorophosphate) Acta Crystallographica Section E, 2007, 63, m458-m459 |
| 2215465 | CIF HKL Paper | C24 H40 B Cl N6 Ni | R 3 m :H | 15.89; 15.89; 9.4584 90; 90; 120 | 2068.22 | Adam D. Beitelman; Gregory M. Ferrence A redetermination of chlorido[hydridotris(3-<i>tert</i>-butyl-5-methylpyrazolyl)borato]nickel(II) Acta Crystallographica Section E, 2007, 63, m2520-m2521 |
| 2222448 | CIF HKL Paper | C7.33333 H9.33333 Cl2 O3 | R 3 m :H | 18.687; 18.687; 6.8723 90; 90; 120 | 2078.3 | Tafeenko, Viktor A.; Aslanov, Leonid A.; Proskurnina, Marina V.; Sosonyuk, Sergei E.; Khlevin, Dmitrii A. 3-<i>exo</i>-Chloro-8-oxabicyclo[3.2.1]oct-6-ene-2,4-diol chloroform 0.33-solvate Acta Crystallographica Section E, 2009, 65, o1580 |
| 2300111 | CIF | In2 Mn0.4 S4 Zn0.6 | R 3 m :H | 3.875218; 3.875218; 37.20846 90; 90; 120 | 483.91 | Ávila-Godoy, Rosario; Mora, Asiloé J.; Acosta-Najarro, Dwight R.; Delgado, Gerzon E.; López-Rivera, Santos A.; Fitch, Andrew N.; Mora, Andrés E.; Steeds, John W. Structure of the quaternary alloy Zn~0.6~Mn~0.4~In~2~S~4~ from synchrotron powder diffraction and electron transmission microscopy Journal of Applied Crystallography, 2006, 39, 1-5 |
| 2300498 | CIF Paper | K0.5 Na0.5 Nb O3 | R 3 m :H | 5.6085; 5.6085; 6.9183 90; 90; 120 | 188.46 | Orayech, B.; Faik, A.; López, G. A.; Fabelo, O.; Igartua, J. M. Mode-crystallography analysis of the crystal structures and the low- and high-temperature phase transitions in Na~0.5~K~0.5~NbO~3~ Journal of Applied Crystallography, 2015, 48 |
| 2300613 | CIF HKL | B6 Br K3 O10 | R 3 m :H | 10.1252; 10.1252; 8.8687 90; 90; 120 | 787.4 | Xia, Mingjun; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Li, Rukang; Chen, Chuangtian Thermo-physical properties of nonlinear optical crystal K~3~B~6~O~10~Br Journal of Applied Crystallography, 2016, 49, 539-543 |
| 2310533 | CIF | Nb Se2 | R 3 m :H | 3.45; 3.45; 18.88 90; 90; 120 | 194.613 | Brown, B.E.; Beerntsen, D.J. Layer structure polytism among niobium and tantalum selenides Acta Crystallographica (1,1948-23,1967), 1965, 18, 31-36 |
| 2310588 | CIF | C Si | R 3 m :H | 3.082; 3.082; 60.49 90; 90; 120 | 497.599 | Gomes de Mesquita, A.H. The structure of a silicone carbide polytype 24R Acta Crystallographica (1,1948-23,1967), 1965, 18, 128-128 |
| 2310813 | CIF | S Zn | R 3 m :H | 3.82; 3.82; 150.24 90; 90; 120 | 1898.64 | Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T. Polytype families in zinc sulfide crystals Acta Crystallographica (1,1948-23,1967), 1967, 22, 808-812 |
| 2310814 | CIF | S Zn | R 3 m :H | 3.82; 3.82; 187.8 90; 90; 120 | 2373.3 | Mardix, S.; Alexander, E.; Brafman, O.; Steinberger, I.T. Polytype families in zinc sulfide crystals Acta Crystallographica (1,1948-23,1967), 1967, 22, 808-812 |
| 2310872 | CIF | Ca3 O5 Si | R 3 m :H | 7; 7; 25 90; 90; 120 | 1060.88 | Jeffery, J.W. The crystal structure of tricalcium silicate Acta Crystallographica (1,1948-23,1967), 1952, 5, 26-35 |
| 2310933 | CIF | C Si | R 3 m :H | 3.079; 3.079; 67.99599 90; 90; 120 | 558.256 | Ramsdell, L.S.; Kohn, J.A. Developments in silicon carbide research Acta Crystallographica (1,1948-23,1967), 1952, 5, 215-224 |
| 2310934 | CIF | C Si | R 3 m :H | 3.079; 3.079; 128.437 90; 90; 120 | 1054.48 | Ramsdell, L.S.; Kohn, J.A. Developments in silicon carbide research Acta Crystallographica (1,1948-23,1967), 1952, 5, 215-244 |
| 2310935 | CIF | C Si | R 3 m :H | 3.079; 3.079; 189.259 90; 90; 120 | 1553.84 | Ramsdell, L.S.; Kohn, J.A. Developments in silicon carbide research Acta Crystallographica (1,1948-23,1967), 1952, 5, 215-224 |
| 2310936 | CIF | C Si | R 3 m :H | 3.079; 3.079; 211.543 90; 90; 120 | 1736.8 | Ramsdell, L.S.; Kohn, J.A. Development in silicon carbide research Acta Crystallographica (1,1948-23,1967), 1952, 5, 215-224 |
| 2311038 | CIF | C3 Al6 N2 | R 3 m :H | 3.248; 3.248; 40.03 90; 90; 120 | 365.72 | Jeffrey, G.A.; Wu, V.Y. The structures of the aluminum carbonitrides. II Acta Crystallographica (1,1948-23,1967), 1966, 20, 538-547 |
| 2311039 | CIF | C3 Al8 N4 | R 3 m :H | 3.211; 3.211; 55.08 90; 90; 120 | 491.819 | Jeffrey, G.A.; Wu, V.Y. The structures of the aluminum carbonitrides. II Acta Crystallographica (1,1948-23,1967), 1966, 20, 538-547 |
| 2311055 | CIF | Cu6.9984 Fe1.3968 S5.598 | R 3 m :H | 3.87; 3.87; 18.95 90; 90; 120 | 245.789 | Morimoto, N. Structures of two polymorphic forms of Cu5 Fe S4 Acta Crystallographica (1,1948-23,1967), 1964, 17, 351-360 |
| 2311062 | CIF | Al7.8 B3 Ca0.125 Fe0.1 H3 Li Mn0.1 Na0.875 O31 Si6 | R 3 m :H | 16; 16; 7.17 90; 90; 120 | 1589.61 | Ito, T.; Sadanaga, R. A Fourier analysis of the structure of tourmaline Acta Crystallographica (1,1948-23,1967), 1951, 4, 385-390 |
| 3000228 | CIF | Cl Cs O3 | R 3 m :H | 6.424; 6.424; 8.254 90; 90; 120 | 294.99 | Reiner, G.; Wartchow, R. On Potassiumchlorate, K Cl O3, Rubidiumchlorate, Rb Cl O3, and Cesiumchlorate, Cs Cl O3 . IV. Crystal structure of Cs Cl O3 at 298 K Institutionelles Repositorium der Leibniz Universitaet Hannover, 2019 |
| 4000771 | CIF | Al2 Mn S4 | R 3 m :H | 3.7013; 3.7013; 36.416 90; 90; 120 | 432 | Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y. High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+) Chemistry of Materials, 2011, 23, 3086 |
| 4001399 | CIF | C3 H3 Ce0.9 Gd0.1 O6 | R 3 m :H | 10.673; 10.673; 4.099 90; 90; 120 | 404.4 | Go, Yong Bok; Jacobson, Allan J. Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route Chemistry of Materials, 2007, 19, 4702 |
| 4002264 | CIF | Ga S8 V4 | R 3 m :H | 6.799; 6.799; 16.782 90; 90; 120 | 671.838 | Pocha, R.; Poettgen, R.; Johrendt, D. Electronic and structural instabilities in Ga V4 S8 and Ga Mo4 S8 Chemistry of Materials (1,1989-), 2000, 12, 2882-2887 |
| 4002674 | CIF | B5 Be2 F O12 Sr3 | R 3 m :H | 10.3179; 10.3179; 8.3958 90; 90; 120 | 774.06 | Yu, Na; Wang, Shichao; Ye, Ning; Liang, Fei; Lin, Zheshuai; Luo, Min; Poeppelmeier, Kenneth R. A Deep-Ultraviolet Nonlinear Optical Crystal: Strontium Beryllium Borate Fluoride with Planar Be(O/F)3Groups Chemistry of Materials, 2016, 28, 4563 |
| 4002889 | CIF | Cs I O3 | R 3 m :H | 6.6051; 6.6051; 8.087 90; 90; 120 | 305.55 | Zhang, Min; Hu, Cong; Abudouwufu, Tushagu; Yang, Zhihua; Pan, Shilie Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System Chemistry of Materials, 2018, 30, 1136 |
| 4003973 | CIF | Ga Mo4 Se8 | R 3 m :H | 7.21984; 7.21984; 17.44441 90; 90; 120 | 787.485 | Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8 Chemistry of Materials, 2021 |
| 4003976 | CIF | Ga Mo4 Se8 | R 3 m :H | 7.22163; 7.22163; 17.43472 90; 90; 120 | 787.437 | Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8 Chemistry of Materials, 2021 |
| 4003979 | CIF | Ga Mo4 Se8 | R 3 m :H | 7.22081; 7.22081; 17.4383 90; 90; 120 | 787.42 | Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8 Chemistry of Materials, 2021 |
| 4003982 | CIF | Ga Mo4 Se8 | R 3 m :H | 7.21861; 7.21861; 17.45028 90; 90; 120 | 787.481 | Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8 Chemistry of Materials, 2021 |
| 4003991 | CIF | Ga Mo4 Se8 | R 3 m :H | 7.22055; 7.22055; 17.44069 90; 90; 120 | 787.472 | Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8 Chemistry of Materials, 2021 |
| 4030246 | CIF | Ba Fe O2.93 | R 3 m :H | 5.6915; 5.6915; 27.981 90; 90; 120 | 784.96 | Parras, M.; Vallet-Regi, M.; Gonzalet-Calbet, J. M.; Grenier, J. C.; Hagenmullet, P.; Rodriguez-Carvajal, J. A structural study of 12H-BaFe02.93 European Journal of Solid State and Inorganic Chemistry, 1989, 26, 299-312 |
| 4065646 | CIF | C28 H28 Au2 P2 | R 3 m :H | 32.5214; 32.5214; 8.7601 90; 90; 120 | 8023.8 | Nguyen, Minh-Hai; Yip, John H. K. Gold(I) and Platinum(II) Tetracenes and Tetracenyldiacetylides: Structural and Fluorescence Color Changes Induced by σ-Metalation Organometallics, 2010, 29, 2422 |
| 4067930 | CIF | C34 H35 Cl2 N3 O6 S3 | R 3 m :H | 17.866; 17.866; 9.887 90; 90; 120 | 2733.1 | Brun, Sandra; Torrent, Anna; Pla-Quintana, Anna; Roglans, Anna; Fontrodona, Xavier; Benet-Buchholz, Jordi; Parella, Teodor Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloaddition Reactions of Triacetylenic 15-Membered Aza Macrocycles: A Comparative Structural Study Organometallics, 2012, 31, 318 |
| 4102270 | CIF | C24 H40 B Cl Co N6 | R 3 m :H | 15.9843; 15.9843; 9.4269 90; 90; 120 | 2085.9 | J. Krzystek; Dale C. Swenson; S. A. Zvyagin; Dmitry Smirnov; Andrew Ozarowski; Joshua Telser Cobalt(II) "Scorpionate" Complexes as Models for Cobalt-Substituted Zinc Enzymes: Electronic Structure Investigation by High-Frequency and -Field Electron Paramagnetic Resonance Spectroscopy Journal of the American Chemical Society, 2010, 132, 5241-5253 |
| 4103186 | CIF | C14 H7 Cu O5 | R 3 m :H | 26.3043; 26.3043; 26.5885 90; 90; 120 | 15932.3 | Jennifer K. Schnobrich; Olivier Lebel; Katie A. Cychosz; Anne Dailly; Antek G. Wong-Foy; Adam J. Matzger Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity Journal of the American Chemical Society, 2010, 132, 13941-13948 |
| 4103911 | CIF | C3 H12 B N | R 3 m :H | 9.0792; 9.0792; 5.8922 90; 90; 120 | 420.63 | Simon Aldridge; Anthony J. Downs; Christina Y. Tang; Simon Parsons; Michael C. Clarke; Russell D. L. Johnstone; Heather E. Robertson; David W. H. Rankin; Derek A. Wann Structures and Aggregation of the Methylamine-Borane Molecules, MenH3-nN.BH3 (n= 1-3), Studied by X-ray Diffraction, Gas-Phase Electron Diffraction, and Quantum Chemical Calculations Journal of the American Chemical Society, 2009, 131, 2231-2243 |
| 4106144 | CIF | B6 Cl K3 O10 | R 3 m :H | 10.0624; 10.0624; 8.8361 90; 90; 120 | 774.8 | Hongping Wu; Shilie Pan; Kenneth R. Poeppelmeier; Hongyi Li; Dianzeng Jia; Zhaohui Chen; Xiaoyun Fan; Yun Yang; James M. Rondinelli; Haosu Luo K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge Journal of the American Chemical Society, 2011, 133, 7786-7790 |
| 4112542 | CIF | C272 H202 Cl28 | R 3 m :H | 48.2928; 48.2928; 11.8656 90; 90; 120 | 23965 | Xianfeng Shen; Douglas M. Ho; Robert A. Pascal Synthesis of Polyphenylene Dendrimers Related to "Cubic Graphite" Journal of the American Chemical Society, 2004, 126, 5798-5805 |
| 4114916 | CIF | Cs H6 Na O14 Si4 V | R 3 m :H | 13.5674; 13.5674; 21.855 90; 90; 120 | 3484 | Xiqu Wang; Lumei Liu; Allan J. Jacobson Open-Framework and Microporous Vanadium Silicates Journal of the American Chemical Society, 2002, 124, 7812-7820 |
| 4115480 | CIF | C13 Cl9 | R 3 m :H | 18.704; 18.704; 3.7792 90; 90; 120 | 1145 | P. A. Koutentis; Y. Chen; Y. Cao; T. P. Best; M. E. Itkis; L. Beer; R. T. Oakley; A. W. Cordes; C. P. Brock; R. C. Haddon Perchlorophenalenyl Radical Journal of the American Chemical Society, 2001, 123, 3864-3871 |
| 4122440 | CIF | C4 H2.05 Co O3 | R 3 m :H | 25.8595; 25.8595; 6.7766 90; 90; 120 | 3924.5 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122441 | CIF | C4 H Co D1.69 O3 | R 3 m :H | 25.8419; 25.8419; 6.781 90; 90; 120 | 3921.7 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122442 | CIF | C4 H Co O3 | R 3 m :H | 25.8734; 25.8734; 6.7677 90; 90; 120 | 3923.5 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122444 | CIF | C4 H D3.85 Ni O3 | R 3 m :H | 25.776; 25.776; 6.7544 90; 90; 120 | 3886.4 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122445 | CIF | C4 H Co D5.63 O3 | R 3 m :H | 25.8923; 25.8923; 6.8115 90; 90; 120 | 3954.7 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122446 | CIF | C4 H Co D3.47 O3 | R 3 m :H | 25.8826; 25.8826; 6.803 90; 90; 120 | 3946.8 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122447 | CIF | C4 H D1.97 Ni O3 | R 3 m :H | 25.749; 25.749; 6.739 90; 90; 120 | 3869.4 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122448 | CIF | C4 H Co D3.73 O3 | R 3 m :H | 25.8806; 25.8806; 6.8038 90; 90; 120 | 3946.7 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122449 | CIF | C4 H Co O3 | R 3 m :H | 25.8902; 25.8902; 6.79046 90; 90; 120 | 3941.9 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122450 | CIF | C4 H Co D2.37 O3 | R 3 m :H | 25.8518; 25.8518; 6.7881 90; 90; 120 | 3928.8 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122451 | CIF | C4 H D5.77 Ni O3 | R 3 m :H | 25.802; 25.802; 6.7613 90; 90; 120 | 3898.2 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122453 | CIF | C4 H Co D2.71 O3 | R 3 m :H | 25.8521; 25.8521; 6.7898 90; 90; 120 | 3929.9 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122454 | CIF | C4 H Co D4.49 O3 | R 3 m :H | 25.9008; 25.9008; 6.8104 90; 90; 120 | 3956.7 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4122455 | CIF | C4 H Ni O3 | R 3 m :H | 25.797; 25.797; 6.7292 90; 90; 120 | 3878.2 | Kapelewski, Matthew T.; Geier, Stephen J.; Hudson, Matthew R.; Stück, David; Mason, Jarad A.; Nelson, Jocienne N.; Xiao, Dianne J.; Hulvey, Zeric; Gilmour, Elizabeth; FitzGerald, Stephen A.; Head-Gordon, Martin; Brown, Craig M.; Long, Jeffrey R. M2(m-dobdc) (M = Mg, Mn, Fe, Co, Ni) Metal-Organic Frameworks Exhibiting Increased Charge Density and Enhanced H2 Binding at the Open Metal Sites. Journal of the American Chemical Society, 2014, 136, 12119 |
| 4123586 | CIF | C6 H12 N3 P | R 3 m :H | 9.4937; 9.4937; 6.9591 90; 90; 120 | 543.194 | Britvin, Sergey N.; Lotnyk, Andriy Water-Soluble Phosphine Capable of Dissolving Elemental Gold: The Missing Link between 1,3,5-Triaza-7-phosphaadamantane (PTA) and Verkade's Ephemeral Ligand. Journal of the American Chemical Society, 2015, 137, 5526-5535 |
| 4123710 | CIF | Cs Ge I3 | R 3 m :H | 8.3582; 8.3582; 10.6098 90; 90; 120 | 641.89 | Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society, 2015, 137, 6804-6819 |
| 4123711 | CIF | C H6 Ge I3 N | R 3 m :H | 8.5534; 8.5534; 11.162 90; 90; 120 | 707.2 | Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society, 2015, 137, 6804-6819 |
| 4123712 | CIF | C H5 Ge I3 N2 | R 3 m :H | 8.4669; 8.4669; 11.729 90; 90; 120 | 728.2 | Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J.; Kim, Yong Soo; Rhim, Sonny H.; Freeman, Arthur J.; Ketterson, John B.; Jang, Joon I.; Kanatzidis, Mercouri G. Hybrid germanium iodide perovskite semiconductors: active lone pairs, structural distortions, direct and indirect energy gaps, and strong nonlinear optical properties. Journal of the American Chemical Society, 2015, 137, 6804-6819 |
| 4124624 | CIF | Mo S2 | R 3 m :H | 3.171; 3.171; 18.34499 90; 90; 120 | 159.75 | Bell, R.E.; Herfert, R.E. Preparation and characterization of a new crystalline form of molybdenum bisulfide Journal of the American Chemical Society, 1957, 79, 3351-3354 |
| 4126155 | CIF | C28 H64 Mn4 N8 | R 3 m :H | 34.7647; 34.7647; 10.8425 90; 90; 120 | 11348.5 | Vaddypally, Shivaiah; Kondaveeti, Sandeep K.; Karki, Santosh; Van Vliet, Megan M.; Levis, Robert J.; Zdilla, Michael J. Reactive Pendant Mn═O in a Synthetic Structural Model of a Proposed S4 State in the Photosynthetic Oxygen Evolving Complex. Journal of the American Chemical Society, 2017, 139, 4675-4681 |
| 4126609 | CIF | C12 H10 Co2 O6 | R 3 m :H | 25.751; 25.751; 6.8192 90; 90; 120 | 3916.1 | Bachman, Jonathan E.; Kapelewski, Matthew T.; Reed, Douglas A.; Gonzalez, Miguel I.; Long, Jeffrey R. M2(m-dobdc) (M = Mn, Fe, Co, Ni) Metal-Organic Frameworks as Highly-Selective, High-Capacity Adsorbents for Olefin/Paraffin Separations. Journal of the American Chemical Society, 2017 |
| 4127188 | CIF | C14.15 H10.91 Co2 O6.61 | R 3 m :H | 25.8977; 25.8977; 6.7599 90; 90; 120 | 3926.4 | Gonzalez, Miguel I.; Kapelewski, Matthew T.; Bloch, Eric D.; Milner, Phillip J.; Reed, Douglas A.; Hudson, Matthew R.; Mason, Jarad A.; Barin, Gokhan; Brown, Craig M.; Long, Jeffrey R. Separation of Xylene Isomers through Multiple Metal Site Interactions in Metal-Organic Frameworks. Journal of the American Chemical Society, 2018 |
| 4133727 | CIF | C7.28 H7.56 Co O3 | R 3 m :H | 25.982; 25.982; 6.8437 90; 90; 120 | 4001 | Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R. Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites. Journal of the American Chemical Society, 2019, 141, 18325-18333 |
| 4133728 | CIF | C8.17 H8.28 Co O3 | R 3 m :H | 26.089; 26.089; 6.8483 90; 90; 120 | 4036.7 | Barnett, Brandon R.; Parker, Surya T.; Paley, Maria V.; Gonzalez, Miguel I.; Biggins, Naomi; Oktawiec, Julia; Long, Jeffrey R. Thermodynamic Separation of 1-Butene from 2-Butene in Metal-Organic Frameworks with Open Metal Sites. Journal of the American Chemical Society, 2019, 141, 18325-18333 |
| 4305348 | CIF | C24 H31 B N9 Tl | R 3 m :H | 16.8644; 16.8644; 8.1583 90; 90; 120 | 2009.4 | Ningfeng Zhao; John C. Bullinger; Michael J. Van Stipdonk; Charlotte L. Stern; David M. Eichhorn Cyanoscorpionates: Synthesis and Crystallographic Characterization of One-Dimensional Cu(I) Coordination Polymers Inorganic Chemistry, 2008, 47, 5945-5950 |
| 4305386 | CIF | C15 H24 F6 O3 P Re S3 | R 3 m :H | 11.1729; 11.1729; 14.705 90; 90; 120 | 1589.7 | Brenton R. Franklin; Richard S. Herrick; Christopher J. Ziegler; Natalie Barone; Laura R. Condon Reactions of the Re(CO)3(H2O)3+ Synthon with Monodentate Ligands under Aqueous Conditions Inorganic Chemistry, 2008, 47, 5902-5909 |
| 4306275 | CIF | H56 K11 O146 P4 Rb7 Ti9 W27 | R 3 m :H | 29.7444; 29.7444; 13.6254 90; 90; 120 | 10439.8 | Ghada A. Al-Kadamany; Firasat Hussain; Sib Sankar Mal; Michael H. Dickman; Nathalie Leclerc-Laronze; Jérôme Marrot; Emmanuel Cadot; Ulrich Kortz Cyclic Ti9 Keggin Trimers with Tetrahedral (PO4) or Octahedral (TiO6) Capping Groups Inorganic Chemistry, 2008, 47, 8574-8576 |
| 4306276 | CIF | Cs11.5 K1.5 Na1.5 O134 Si3 Ti10 W27 | R 3 m :H | 30.3253; 30.3253; 15.8808 90; 90; 120 | 12647.7 | Ghada A. Al-Kadamany; Firasat Hussain; Sib Sankar Mal; Michael H. Dickman; Nathalie Leclerc-Laronze; Jérôme Marrot; Emmanuel Cadot; Ulrich Kortz Cyclic Ti9 Keggin Trimers with Tetrahedral (PO4) or Octahedral (TiO6) Capping Groups Inorganic Chemistry, 2008, 47, 8574-8576 |
| 4308704 | CIF | C69 H60 Dy N3 O3 Si3 | R 3 m :H | 22.937; 22.937; 12.123 90; 90; 120 | 5523 | Timothy J. Boyle; Scott D. Bunge; Paul G. Clem; Jacob Richardson; Jeffrey T. Dawley; Leigh Anna M. Ottley; Mark A. Rodriguez; Bruce A. Tuttle; Gabriel R. Avilucea; Ralph G. Tissot Synthesis and Characterization of a Family of Structurally Characterized Dysprosium Alkoxides for Improved Fatigue-Resistance Characteristics of PDyZT Thin Films Inorganic Chemistry, 2005, 44, 1588-1600 |
| 4309242 | CIF | C33 H96 O44 Zr13 | R 3 m :H | 17.2672; 17.2672; 27.4602 90; 90; 120 | 7090.5 | Victor W. Day; Walter G. Klemperer; Margaret Mary Pafford Methyltriskaidecazirconates, Molecular Forms of Zirconia Inorganic Chemistry, 2005, 44, 5397-5404 |
| 4310717 | CIF | C12 Cl3 Cs7 Mo4 N12 Na4 Se4 | R 3 m :H | 11.5386; 11.5386; 28.264 90; 90; 120 | 3258.9 | Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters Inorganic Chemistry, 2004, 43, 1902-1911 |
| 4312088 | CIF | C23 H29 Cl3 Mo N4 O3 | R 3 m :H | 27.7; 27.7; 9.143 90; 90; 120 | 6075.5 | Brian S. Hammes; Bal S. Chohan; Justin T. Hoffman; Simon Einwächter; Carl J. Carrano A Family of Dioxo-Molybdenum(VI) Complexes of N2X Heteroscorpionate Ligands of Relevance to Molybdoenzymes Inorganic Chemistry, 2004, 43, 7800-7806 |
| 4312579 | CIF | C24 H54 N6 V | R 3 m :H | 16.205; 16.205; 9.355 90; 90; 120 | 2127.5 | Booyong S. Lim; Antti Rahtu; Jin-Seong Park; Roy G. Gordon Synthesis and Characterization of Volatile, Thermally Stable, Reactive Transition Metal Amidinates Inorganic Chemistry, 2003, 42, 7951-7958 |
| 4319886 | CIF | Na6 P4 Pb3 S16 | R 3 m :H | 19.4527; 19.4527; 6.172 90; 90; 120 | 2022.63 | Jennifer A. Aitken; Mercouri G. Kanatzidis α-Na6Pb3(PS4)4, a Noncentrosymmetric Thiophosphate with the Novel, Saucer-Shaped [Pb3(PS4)4]6- Cluster, and Its Metastable, 3-Dimensionally Polymerized Allotrope β-Na6Pb3(PS4)4 Inorganic Chemistry, 2001, 40, 2938-2939 |
| 4322862 | CIF | C60 H24 Ba N8 | R 3 m :H | 12.223; 12.223; 21.461 90; 90; 120 | 2776.7 | Klaus Himmel; Martin Jansen Synthesis and Single-Crystal Structure Analysis of [Ba(NH3)7]C60.NH3 Inorganic Chemistry, 1998, 37, 3437-3439 |
| 4323083 | CIF | Cl Cu3 S3 Te | R 3 m :H | 7.361; 7.361; 10.401 90; 90; 120 | 488.07 | A. Pfitzner CuClCu~2~TeS~3~: Synthesis, Structure Determination, and Raman Spectroscopic Characterization of a New Zincblende Derivative Inorganic Chemistry, 1998, 37, 5164-5167 |
| 4323187 | CIF | Mo9 O18 Pr4 | R 3 m :H | 11.36; 11.36; 50.392 90; 90; 120 | 5631.8 | J. Tortelier; P. Gougeon Pr~4~Mo~9~O~18~, an Atypical, Novel, Ternary Reduced Molybdenum Oxide Containing Unusual Mo~7~, Mo~13~ and Mo~19~ Clusters. Synthesis, Crystal Structure, and Physical Properties Inorganic Chemistry, 1998, 37, 6229-6236 |
| 4325385 | CIF | Ba15 O675 Rb29 U90 | R 3 m :H | 55.286; 55.286; 20.523 90; 90; 120 | 54325 | Daniel K. Unruh; Jie Ling; Jie Qiu; Laura Pressprich; Melissa Baranay; Matthew Ward; Peter C. Burns Complex nanoscale Cage Clusters Built from Uranyl Polyhedra and Phosphate Tetrahedra Inorganic Chemistry, 2011, 50, 5509-5516 |
| 4325703 | CIF | B5 Be2 H O13 Sr3 | R 3 m :H | 10.2843; 10.2843; 8.477 90; 90; 120 | 776.5 | Colin D. McMillen; Joseph W. Kolis Hydrothermal Synthesis and Crystal Structures of Two Novel Acentric Mixed Alkaline Earth Metal Berylloborates Sr3Be2B5O12(OH) and Ba3Be2B5O12(OH) Inorganic Chemistry, 2011, 50, 6809-6813 |
| 4325704 | CIF | B5 Ba3 Be2 H O13 | R 3 m :H | 10.5615; 10.5615; 8.8574 90; 90; 120 | 855.6 | Colin D. McMillen; Joseph W. Kolis Hydrothermal Synthesis and Crystal Structures of Two Novel Acentric Mixed Alkaline Earth Metal Berylloborates Sr3Be2B5O12(OH) and Ba3Be2B5O12(OH) Inorganic Chemistry, 2011, 50, 6809-6813 |
| 4326177 | CIF | C189 H309 B9 Cl9 Cr9 Cu9 N108 O51 | R 3 m :H | 34.6504; 34.6504; 23.2241 90; 90; 120 | 24148.3 | Min-Xia Yao; Zheng-You Wei; Zhi-Guo Gu; Qi Zheng; Yan Xu; Jing-Lin Zuo Syntheses, Structures, and Magnetic Properties of Low-Dimensional Heterometallic Complexes Based on the Versatile Building Block [(Tp)Cr(CN)3]- Inorganic Chemistry, 2011, 50, 8636-8644 |
| 4333657 | CIF | Au4.27 Zn8.26 | R 3 m :H | 13.1029; 13.1029; 8.041 90; 90; 120 | 1195.57 | Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry, 2013, 52, 1328-1337 |
| 4333658 | CIF | Au4.84 Zn7.85 | R 3 m :H | 13.1366; 13.1366; 8.103 90; 90; 120 | 1211 | Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry, 2013, 52, 1328-1337 |
| 4333659 | CIF | Au4.58 Zn8.12 | R 3 m :H | 13.1345; 13.1345; 8.1103 90; 90; 120 | 1211.7 | Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry, 2013, 52, 1328-1337 |
| 4333660 | CIF | Au4.42 Zn8.19 | R 3 m :H | 13.133; 13.133; 8.096 90; 90; 120 | 1209.3 | Srinivasa Thimmaiah; Gordon J. Miller rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System Inorganic Chemistry, 2013, 52, 1328-1337 |
| 4334360 | CIF | C28 H63 Al Ce O7 | R 3 m :H | 15.775; 15.775; 13.208 90; 90; 120 | 2846.5 | Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III)) Inorganic Chemistry, 2013, 52, 4002-4010 |
| 4334361 | CIF | C28 H63 Ce Fe O7 | R 3 m :H | 15.815; 15.815; 13.272 90; 90; 120 | 2874.8 | Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III)) Inorganic Chemistry, 2013, 52, 4002-4010 |
| 4335924 | CIF | C12 H34 N3 Na3 O29 U3 | R 3 m :H | 16.5975; 16.5975; 10.6852 90; 90; 120 | 2549.17 | Daniel K. Unruh; Kyle Gojdas; Erin Flores; Anna Libo; Tori Z. Forbes Synthesis and Structural Characterization of Hydrolysis Products within the Uranyl Iminodiacetate and Malate Systems Inorganic Chemistry, 2013, 52, 10191-10198 |
| 4336235 | CIF | Ge0.6 Li0.2 Sb0.2 Te | R 3 m :H | 4.2459; 4.2459; 10.4382 90; 90; 120 | 162.966 | Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2 Inorganic Chemistry, 2013, 52, 11288-11294 |
| 4336236 | CIF | Ge0.733 Li0.133 Sb0.133 Te | R 3 m :H | 4.2029; 4.2029; 10.536 90; 90; 120 | 161.178 | Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2 Inorganic Chemistry, 2013, 52, 11288-11294 |
| 4336406 | CIF | C3 H3 Ce O6 | R 3 m :H | 10.706; 10.706; 4.1205 90; 90; 120 | 409.01 | Christoph Hennig; Atsushi Ikeda-Ohno; Werner Kraus; Stephan Weiss; Philip Pattison; Hermann Emerich; Paula M. Abdala; Andreas C. Scheinost Crystal Structure and Solution Species of Ce(III) and Ce(IV) Formates: From Mononuclear to Hexanuclear Complexes Inorganic Chemistry, 2013, 52, 11734-11743 |
| 4340360 | CIF | Ag0.067 Ge0.767 Sb0.133 Te | R 3 m :H | 4.20935; 4.20935; 10.4922 90; 90; 120 | 161.001 | Schröder, Thorsten; Rosenthal, Tobias; Giesbrecht, Nadja; Nentwig, Markus; Maier, Stefan; Wang, Heng; Snyder, G. Jeffrey; Oeckler, Oliver Nanostructures in Te/Sb/Ge/Ag (TAGS) Thermoelectric Materials Induced by Phase Transitions Associated with Vacancy Ordering. Inorganic chemistry, 2014, 53, 7722-7729 |
| 4343722 | CIF | Cs F O2 S | R 3 m :H | 6.5922; 6.5922; 8.005 90; 90; 120 | 301.268 | Kessler, U.; van Wuellen, L.; Jansen, M. Structure of the fluorosulfite anion: rotational disorder of (S O2 F)(-) in the alkali metal fluorosulfites and crystal structures of alpha- and beta-(Cs S O2 F) Inorganic Chemistry, 2001, 40, 7040-7046 |
| 4344206 | CIF | H3 N S2 Ti | R 3 m :H | 3.427; 3.427; 26.55 90; 90; 120 | 270.037 | Chianelli, R.R.; Scanlon, J.C.; Whittingham, M.S.; Gamble, F.R. Structural studies of the intercalation complexes Ti S2 (N H3) and Ta S2 (N H3) Inorganic Chemistry, 1975, 14, 1691-1696 |
| 4344945 | CIF | C3 H5 I3 N2 Sn | R 3 m :H | 9.2735; 9.2735; 34.924 90; 90; 120 | 2601 | Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites. Inorganic chemistry, 2017, 56, 56-73 |
| 4344954 | CIF | C2 H7 I3 N2 Sn | R 3 m :H | 9.2529; 9.2529; 35.06 90; 90; 120 | 2599.6 | Stoumpos, Constantinos C.; Mao, Lingling; Malliakas, Christos D.; Kanatzidis, Mercouri G. Structure-Band Gap Relationships in Hexagonal Polytypes and Low-Dimensional Structures of Hybrid Tin Iodide Perovskites. Inorganic chemistry, 2017, 56, 56-73 |
| 4349413 | CIF | C32 H72 F6 Mn4 N8 P | R 3 m :H | 13.26; 13.26; 22.193 90; 90; 120 | 3379.4 | Vaddypally, Shivaiah; Jovinelli, Daniel J.; McKendry, Ian G.; Zdilla, Michael J. Covalent Metal-Metal-Bonded Mn<sub>4</sub> Tetrahedron Inscribed within a Four-Coordinate Manganese Cubane Cluster, As Evidenced by Unexpected Temperature-Independent Diamagnetism. Inorganic chemistry, 2017, 56, 3733-3737 |
| 4503531 | CIF | Ga3 O7 P | R 3 m :H | 7.897; 7.897; 6.757 90; 90; 120 | 364.9 | Xu, Guogang; Li, Jing; Wang, Jiyang; Zhao, Hongyang; Liu, Hong Flux Growth and Characterizations of Ga3PO7Single Crystals Crystal Growth & Design, 2008, 8, 3577 |
| 4510302 | CIF | B6 Br K2.87 Na0.13 O10 | R 3 m :H | 10.071; 10.071; 8.824 90; 90; 120 | 775.1 | Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property Crystal Growth & Design, 2014, 14, 1794 |
| 4510303 | CIF | B6 Br K2.33 Na0.67 O10 | R 3 m :H | 10.05; 10.05; 8.816 90; 90; 120 | 771.1 | Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property Crystal Growth & Design, 2014, 14, 1794 |
| 4514448 | CIF | C24 H5.26 Co6 I2.66 O18 | R 3 m :H | 25.805; 25.805; 6.7837 90; 90; 120 | 3912.1 | Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation. ACS applied materials & interfaces, 2019, 11, 25817-25823 |
| 4514449 | CIF | C24 H5.06 Co6 I3.49 O18 | R 3 m :H | 25.819; 25.819; 6.742 90; 90; 120 | 3892.2 | Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation. ACS applied materials & interfaces, 2019, 11, 25817-25823 |
| 4514451 | CIF | C24 H4.54 Co6 I5.71 O18 | R 3 m :H | 25.802; 25.802; 6.784 90; 90; 120 | 3911.3 | Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation. ACS applied materials & interfaces, 2019, 11, 25817-25823 |
| 4516618 | CIF | C53.25 H44 Cl9 Cr3 N10.5 O44.92 | R 3 m :H | 15.2032; 15.2032; 46.09 90; 90; 120 | 9225.9 | Elsaidi, Sameh K.; Mohamed, Mona H.; Loring, John S.; McGrail, Bernard Pete; Thallapally, Praveen K. Coordination Covalent Frameworks: A New Route for Synthesis and Expansion of Functional Porous Materials. ACS applied materials & interfaces, 2016, 8, 28424-28427 |
| 4518280 | CIF | Ag7.75 O108 Si54 | R 3 m :H | 12.912; 12.912; 23.67 90; 90; 120 | 3417.6 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 4518281 | CIF | Ag9.54 O108.74 Si54 | R 3 m :H | 12.9559; 12.9559; 23.611 90; 90; 120 | 3432.3 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 4518282 | CIF | Ag13.82 O121.24 Si54 | R 3 m :H | 13.2131; 13.2131; 23.2393 90; 90; 120 | 3513.69 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 4518284 | CIF | Ag7.8 O108 Si54 | R 3 m :H | 12.943; 12.943; 23.641 90; 90; 120 | 3429.8 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 4518285 | CIF | Ag7.98 O108 Si54 | R 3 m :H | 12.955; 12.955; 23.623 90; 90; 120 | 3433.5 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 4518286 | CIF | Ag11.41 O112.23 Si54 | R 3 m :H | 13.115; 13.115; 23.4675 90; 90; 120 | 3495.7 | Cametti, Georgia; Scheinost, Andreas C.; Churakov, Sergey V. Structural Evolution of Ag-LEV Zeolite upon Heating: An In Situ Single-Crystal X-ray Diffraction (SC-XRD) and X-ray Absorption Spectroscopy (XAS) Study. ACS omega, 2020, 5, 31774-31783 |
| 5000097 | CIF | Al22.78 B9.11 Ca0.42 F1.81 Fe0.09 H8.62 K0.01 Li3.74 Mn0.84 Na1.69 O91.19 Si17.94 | R 3 m :H | 15.838; 15.838; 7.1032 90; 90; 120 | 1543.1 | Donnay, G; Barton, R Refinement of the Crystal Structure of Elbaite and the Mechanism of Tourmaline Solid Solution Tschermaks Mineralogische und Petrographische Mitteilungen (-1978), 1972, 18, 273-286 |
| 5000114 | CIF | Ni S | R 3 m :H | 9.619; 9.619; 3.1499 90; 90; 120 | 252.4 | Rajamani, V; Prewitt, C T The crystal structure of millerite Canadian Mineralogist, 1974, 12, 253-257 |
| 7003528 | CIF | C14 H30 B10 N2 Ti | R 3 m :H | 25.806; 25.806; 9.888 90; 90; 120 | 5702.7 | Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei Synthesis, structure, and reactivity of Group 4 metallacycles incorporating a Me2C-linked cyclopentadienyl-carboranyl ligand Dalton Transactions, 2008, 1454-1464 |
| 7003529 | CIF | C15 H32 B10 N2 Ti | R 3 m :H | 26.0448; 26.0448; 9.8439 90; 90; 120 | 5782.8 | Sit, Mei-Mei; Chan, Hoi-Shan; Xie, Zuowei Synthesis, structure, and reactivity of Group 4 metallacycles incorporating a Me2C-linked cyclopentadienyl-carboranyl ligand Dalton Transactions, 2008, 1454-1464 |
| 7004547 | CIF | C3 H3 Nd O6 | R 3 m :H | 10.5916; 10.5916; 4.0637 90; 90; 120 | 394.8 | Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd) Dalton Transactions, 2008, 6165-6169 |
| 7004548 | CIF | C3 H3 O6 Pr | R 3 m :H | 10.6344; 10.6344; 4.0806 90; 90; 120 | 399.651 | Lin, Jiao-Min; Guan, Yang-Fan; Wang, Dong-Yao; Dong, Wen; Wang, Xiu-Teng; Gao, Song Syntheses, structures and properties of seven isomorphous 1D Ln3+complexes Ln(BTA)(HCOO)(H2O)3 (H2BTA = bis(tetrazoly)amine, Ln = Pr, Gd, Eu, Tb, Dy, Er, Yb) and two 3D Ln3+ complexes Ln(HCOO)3 (Ln = Pr, Nd) Dalton Transactions, 2008, 6165-6169 |
| 7005816 | CIF | C6 H18 Cl I N3 P | R 3 m :H | 8.2595; 8.2595; 16.5475 90; 90; 120 | 977.62 | Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.; Safi, Zaki; Sheffield, Joanne M. Preference for a C3 conformation in tris-dimethylaminophosphonium cations: a comparison of the reactions of (Me2N)3P with I-X (X = Cl, Br, I, CN). Dalton transactions (Cambridge, England : 2003), 2007, 3252-3258 |
| 7005818 | CIF | C6 H18 Br0.5 Cl0.5 I N3 P | R 3 m :H | 8.2719; 8.2719; 16.646 90; 90; 120 | 986.4 | Barnes, Nicholas A.; Godfrey, Stephen M.; Halton, Ruth T. A.; Pritchard, Robin G.; Safi, Zaki; Sheffield, Joanne M. Preference for a C3 conformation in tris-dimethylaminophosphonium cations: a comparison of the reactions of (Me2N)3P with I-X (X = Cl, Br, I, CN). Dalton transactions (Cambridge, England : 2003), 2007, 3252-3258 |
| 7012553 | CIF | C35 H53 Li N2 O3 | R 3 m :H | 32.123; 32.123; 9.273 90; 90; 120 | 8287 | Carey, David T.; Cope-Eatough, Elaine K.; Vilaplana-Mafé, Eva; Mair, Francis S.; Pritchard, Robin G.; Warren, John E.; Woods, Rebecca J. Structures and reactions of monomeric and dimeric lithium diazapentadienyl complexes with electrophiles: synthesis of α-C,C'-dialkyl-β-diimines, and dissolution-reversible synthesis of an α-alkoxylithium-β-diimine Dalton Transactions, 2003, 1083 |
| 7021728 | CIF | C12 H57 Cu Mo16 N3 Na5 O76 V2 | R 3 m :H | 37.0306; 37.0306; 18.3039 90; 90; 120 | 21736.8 | Li, Fengyan; Meng, Fanzhi; Ma, Lifang; Xu, Lin; Sun, Zhixia; Gao, Qiao 3D pure inorganic framework based on polymolybdovanadate possessing photoelectric properties. Dalton transactions (Cambridge, England : 2003), 2013, 42, 12079-12082 |
| 7027051 | CIF | C3 H12 Ga N | R 3 m :H | 9.2971; 9.2971; 6.6646 90; 90; 120 | 498.88 | Brain, Paul T.; Brown, Helen E.; Downs, Anthony J.; Greene, Tim M.; Johnsen, Emma; Parsons, Simon; Rankin, David W. H.; Smart, Bruce A.; Tang, Christina Y. Molecular structure of trimethylamine‒gallane, Me3N·GaH3: ab initio calculations, gas-phase electron diffraction and single-crystal X-ray diffraction studies † Journal of the Chemical Society, Dalton Transactions, 1998, 3685 |
| 7035576 | CIF | C H92 K9 Mn6 O156 Si3 W30 | R 3 m :H | 30.13; 30.13; 13.5343 90; 90; 120 | 10641 | Yang, Ling; Liu, Qisen; Ma, Pengtao; Niu, Jingyang; Wang, Jingping A CO3(2-)-containing, dimanganese-substituted silicotungstate trimer, K9[H14{SiW10Mn(II)Mn(III)O38}3(CO3)]·39H2O. Dalton transactions (Cambridge, England : 2003), 2015, 44, 13469-13472 |
| 7040323 | CIF | Cs10 H42 Mn Na3 Nb9 O138 Si3 W27 | R 3 m :H | 30.722; 30.722; 16.0353 90; 90; 120 | 13107.1 | Wang, Haiying; Liang, Zhijie; Wang, Yaya; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang Insight into the reactivity of in situ formed {(NbO2)3SiW9}: synthesis, structure, and solution properties of a trimeric polytungstosilicate trapping a {MnNb9} core. Dalton transactions (Cambridge, England : 2003), 2016, 45, 15236-15241 |
| 7040599 | CIF | C10 H33 Cl3 Mo3 O10 | R 3 m :H | 16.8738; 16.8738; 6.7163 90; 90; 120 | 1656.1 | Kuznetsov, Denis A.; Bazhenova, Tamara A.; Fedyanin, Ivan V.; Martynenko, Vyacheslav M.; Shestakov, Alexander F.; Petrova, Galina N.; Komarova, Natal'ya S. Tri-, tetra-, and hexanuclear mixed-valence molybdenum clusters: structural diversity and catalysis of acetylene hydrogenation. Dalton transactions (Cambridge, England : 2003), 2016, 45, 16309-16316 |
| 7044055 | CIF | Co2 H3 O9 P3 Pb | R 3 m :H | 5.3145; 5.3145; 25.494 90; 90; 120 | 623.6 | Kovrugin, Vadim M.; Colmont, Marie; Siidra, Oleg I.; Krivovichev, Sergey V.; Colis, Silviu; Mentré, Olivier The First Lead Cobalt Phosphite, PbCo2(HPO3)3 Dalton Trans., 2017 |
| 7045817 | CIF | C22 H34 Cu N7 O2 | R 3 m :H | 16.177; 16.177; 8.509 90; 90; 120 | 1928.4 | Chang, Yu-Lun; Lin, Ya-Fan; Chuang, Wan-Jung; Kao, Chai-Lin; Narwane, Manmath; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N. Structure and nitrite reduction reactivity study of bio-inspired copper(i)-nitro complexes in steric and electronic considerations of tridentate nitrogen ligands. Dalton transactions (Cambridge, England : 2003), 2018, 47, 5335-5341 |
| 7056068 | CIF | B3 Be3 F4 Li O9 Sr3 | R 3 m :H | 10.3062; 10.3062; 8.3458 90; 90; 120 | 767.7 | Guo, Shu; Liang, Fei; Liu, Lijuan; Xia, Mingjun; Fang, Zhi; Wu, Ruofei; Wang, Xiaoyang; Lin, Zheshuai; Chen, Chuangtian LiSr3Be3B3O9F4: A New Ultraviolet Nonlinear Optical Crystal for Fourth-harmonic Generation of Nd:YAG Lasers New J. Chem., 2017 |
| 7100121 | CIF | C48 H57 Cl6 Ir3 N6 | R 3 m :H | 24.096; 24.096; 7.479 90; 90; 120 | 3761 | Guo-Xin Jin; Chun-Xia Ren; Jianqiang Wang Route to Multicluster Containing Ancillary ortho-Carborane-1,2-Dithiolato Ligands Chemical Communications, 2005 |
| 7101561 | CIF | Cs6 H8 Hg4 O4 Sn3 Te13 | R 3 m :H | 15.88; 15.88; 17.367 90; 90; 120 | 3793 | Stefanie Dehnen; Andreas Fuchs; Eugen Ruzin Fine-Tuning of Optical Properties with Salts of Discrete or Polymeric, Heterobimetallic Telluride Anions [M4(μ4-Te)(SnTe4)4]10 (M = Mn, Zn, Cd, Hg) and {[Hg4(μ4-Te)(SnTe4)3]6} Chemical Communications, 2006 |
| 7102647 | CIF | Cd4 K6 Se13 Sn3 | R 3 m :H | 15.0338; 15.0338; 16.512 90; 90; 120 | 3231.9 | Mercouri Kanatzidis; Duck-Young Chung; Nan Ding K6Cd4Sn3Se13: A polar open-framework compound based on the partially destroyed supertetrahedral [Cd4Sn4Se17]10- cluster Chemical communications (Cambridge, England), 2004, 1170-1171 |
| 7109719 | CIF | C53.25 H98.33 Cl9 Cr3 N13 O52.4 | R 3 m :H | 15.2032; 15.2032; 46.09 90; 90; 120 | 9225.9 | Sameh K. Elsaidi; Mona H. Mohamed; Lukasz Wojtas; Amy J. Cairns; Mohamed Eddaoudi; Michael J. Zaworotko Two-step crystal engineering of porous nets from [Cr/3(mu/3-O)(RCO/2)6] and [Cu/3(mu/3-Cl)(RNH2)/6Cl/6] molecular building blocks Chem.Commun., 2013, 49, 8154 |
| 7111137 | CIF | C B4 Cl6 O | R 3 m :H | 11.15; 11.15; 7.586 90; 90; 120 | 816.8 | Jeffery, John C.; Norman, Nicholas C.; Pardoe, Jennifer A. J.; Timms, Peter L. Synthesis and structures of carbonyl adducts of the boranes B(BX2)3 (X = F, Cl) Chemical Communications, 2000, 2367 |
| 7111871 | CIF | C30 H18 Cu2 O10 | R 3 m :H | 26.2119; 26.2119; 36.423 90; 90; 120 | 21672 | Jianfeng Cai; Xingtang Rao; Yabing He; Jancan Yu; Chuande Wu; Wei Zhou; Taner Yildirim; Banglin Chen; Guodong Qian A highly porous NbO type metal-organic framework constructed from an expanded tetracarboxylate Chem.Commun., 2014, 50, 1552 |
| 7126095 | CIF | C26 H51 Cl4 Co8 N5 O12 | R 3 m :H | 14.8782; 14.8782; 16.9496 90; 90; 120 | 3249.3 | Yu, You-Zhu; Guo, Yu-Hua; Zhang, Yan-Ru; Tian, Xiu-Juan; Zhang, Xian-Ming Tetrahedral μ<sub>4</sub>-chloride and in situ generated octahedral μ<sub>6</sub>-sulfide templating Co<sub>8</sub> complexes with different distortions of the cube. Chemical communications (Cambridge, England), 2020, 56, 4236-4239 |
| 7127115 | CIF | Cu3 F N O10 Pb Se2 | R 3 m :H | 6.6973; 6.6973; 18.5548 90; 90; 120 | 720.753 | Zhang, Mengsi; Zhao, Zhiying; Zhang, Wanwan; Li, Jinyang; Huang, Xiaoying; He, Zhangzhen Pb(OF)Cu<sub>3</sub>(SeO<sub>3</sub>)<sub>2</sub>(NO<sub>3</sub>): a selenite fluoride nitrate with a breathing kagomé lattice. Chemical communications (Cambridge, England), 2020, 56, 11965-11968 |
| 7130222 | CIF | C6 H80 Gd3 K3 Na21 O147 P Sb3 W28 | R 3 m :H | 30.6714; 30.6714; 14.4221 90; 90; 120 | 11749.7 | Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications, 2022 |
| 7130223 | CIF | C6 H82 K3 Na21 O148 P Sb3 W28 Y3 | R 3 m :H | 30.6654; 30.6654; 14.5899 90; 90; 120 | 11881.7 | Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications, 2022 |
| 7130224 | CIF | C6 H82 K3 Na21 O148 P Sb3 W28 Y3 | R 3 m :H | 30.5911; 30.5911; 14.5883 90; 90; 120 | 11822.9 | Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications, 2022 |
| 7130225 | CIF | C6 H80 K3 Na21 O147 P Sb3 W28 Yb3 | R 3 m :H | 30.5334; 30.5334; 14.4965 90; 90; 120 | 11704.3 | Tanuhadi, Elias; Rompel, Annette Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation Chemical Communications, 2022 |
| 7130695 | CIF | Ge2 O4 Sr3 Te3 | R 3 m :H | 10.5223; 10.5223; 8.68 90; 90; 120 | 832.3 | Sun, Mengran; Xing, Wenhao; Lee, Ming-Hsien; Yao, Jiyong Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr<sub>3</sub>Ge<sub>2</sub>O<sub>4</sub>Te<sub>3</sub>. Chemical communications (Cambridge, England), 2022, 58, 11167-11170 |
| 7153524 | CIF | C57 H51 N6 O10.5 | R 3 m :H | 31.0859; 31.0859; 4.6544 90; 90; 120 | 3895.12 | Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J. Building blocks for cyclotriveratrylene-based coordination networks Organic & Biomolecular Chemistry, 2004, 2, 2958-2964 |
| 7205749 | CIF | B6 Br K3 O10 | R 3 m :H | 10.1153; 10.1153; 8.8592 90; 90; 120 | 785.02 | Zhang, Min; Pan, Shi-Lie; Fan, Xiao-Yun; Zhou, Zhong-Xiang; Poeppelmeier, Kenneth R.; Yang, Yun Crystal growth and optical properties of a noncentrosymmetric haloid borate, K3B6O10Br CrystEngComm, 2011, 13, 2899 |
| 7207099 | CIF | C13.5 H21 O3 | R 3 m :H | 15.8078; 15.8078; 9.2047 90; 90; 120 | 1991.97 | Cîrcu, Monica; Paşcanu, Vlad; Soran, Albert; Braun, Beatrice; Terec, Anamaria; Socaci, Crina; Grosu, Ion Solid state supramolecular assemblies of triol podands through H-bonds CrystEngComm, 2012, 14, 632 |
| 7209396 | CIF | Au P0.96 Si0.92 | R 3 m :H | 3.459; 3.459; 17.2 90; 90; 120 | 178.222 | Jeitschko, W.; Kaiser, P. Preparation and crystal structures of the ternary compounds Ag2 Si P2 and Au Si P Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-), 1997, 52, 462-468 |
| 7210683 | CIF | C12 H31 Cu3 N7 O8 | R 3 m :H | 24.401; 24.401; 11.5733 90; 90; 120 | 5967.6 | Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties CrystEngComm, 2013, 15, 3484 |
| 7210684 | CIF | C9 H24 Cu3 N6 O9 | R 3 m :H | 24.9131; 24.9131; 10.8608 90; 90; 120 | 5837.8 | Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties CrystEngComm, 2013, 15, 3484 |
| 7215988 | CIF | C H6 B F4 N3 | R 3 m :H | 7.4241; 7.4241; 8.7784 90; 90; 120 | 419.02 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215989 | CIF | C H6 B F4 N3 | R 3 m :H | 7.4121; 7.4121; 8.65 90; 90; 120 | 411.6 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215990 | CIF | C H6 B F4 N3 | R 3 m :H | 7.4031; 7.4031; 8.5486 90; 90; 120 | 405.74 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215996 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.5595; 7.5595; 8.7694 90; 90; 120 | 434 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215997 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.5534; 7.5534; 8.6935 90; 90; 120 | 429.55 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215998 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.531; 7.531; 8.4767 90; 90; 120 | 416.35 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7215999 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.5123; 7.5123; 8.3522 90; 90; 120 | 408.2 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7216000 | CIF | C H6 Cl N3 O4 | R 3 m :H | 7.4965; 7.4965; 8.2508 90; 90; 120 | 401.55 | Szafrański, Marek Effect of high pressure on the supramolecular structures of guanidinium based ferroelectrics CrystEngComm, 2014 |
| 7218932 | CIF | B3 Be3 F4 Na O9 Sr3 | R 3 m :H | 10.4466; 10.4466; 8.3093 90; 90; 120 | 785.3 | Wang, Xiaoshan; Liu, Lijuan; Wang, Xiaoyang; Bai, Lei; Chen, Chuangtian Growth and optical properties of the novel nonlinear optical crystal NaSr3Be3B3O9F4 CrystEngComm, 2015, 17, 925 |
| 7221391 | CIF | Li5 Na Sn4 | R 3 m :H | 4.71; 4.71; 31.72 90; 90; 120 | 609.404 | Volk, K.; Mueller, W. Li5 Na Sn4 -eine Phase mit gewellten Sn-Sechsecknetzen Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986), 1978, 33, 593-596 |
| 7223343 | CIF | C12 H15 Cd3 Cl N6 O10 | R 3 m :H | 14.6793; 14.6793; 9.5183 90; 90; 120 | 1776.24 | Wang, Jia; Yao, Shuo; Li, Guanghua; Huo, Qisheng; Zhang, Lirong; Liu, Yunling A Novel Trinuclear Cd(II) Cluster-based Metal‒Organic Framework: Synthesis, Structure and Luminescence Property RSC Adv., 2015 |
| 7227021 | CIF | B6 Br0.67 Cl0.33 K3 O10 | R 3 m :H | 10.099; 10.099; 8.858 90; 90; 120 | 782.39 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227022 | CIF | B6 Br0.79 Cl0.21 K3 O10 | R 3 m :H | 10.1051; 10.1051; 8.855 90; 90; 120 | 783.07 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227023 | CIF | B6 Br0.53 Cl0.47 K3 O10 | R 3 m :H | 10.0938; 10.0938; 8.8593 90; 90; 120 | 781.7 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227024 | CIF | B6 Br0.25 Cl0.75 K3 O10 | R 3 m :H | 10.0855; 10.0855; 8.8613 90; 90; 120 | 780.59 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227025 | CIF | B6 Br0.43 Cl0.57 K3 O10 | R 3 m :H | 10.0907; 10.0907; 8.8573 90; 90; 120 | 781.04 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227026 | CIF | B6 Cl K3 O10 | R 3 m :H | 10.0748; 10.0748; 8.8641 90; 90; 120 | 779.18 | Xia, Mingjun; Hou, Zhanyu; Yang, Yi; Xu, Bo; Liu, Lijuan; Wang, Xiaoyang; Lin, Zheshuai; Li, R.K.; Chen, Chuangtian Chemical engineering of mixed halide hexaborates as nonlinear optical materials RSC Adv., 2016 |
| 7227720 | CIF | C3 H3 Cl Li N3 O3 | R 3 m :H | 7.7079; 7.7079; 9.4483 90; 90; 120 | 486.135 | Shemchuk, Oleksii; Braga, Dario; Maini, Lucia; Grepioni, Fabrizia Anhydrous ionic co-crystals of cyanuric acid with LiCl and NaCl CrystEngComm, 2017, 19, 1366 |
| 7228728 | CIF | Cs12 H20 Nb9 O130 Si3 W28 | R 3 m :H | 30.4555; 30.4555; 15.9433 90; 90; 120 | 12806.8 | Wang, Haiying; Hou, Lili; Li, Chen; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang Synthesis, structure, and photocatalytic hydrogen evolution of a trimeric Nb/W addendum cluster RSC Adv., 2017, 7, 36416 |
| 7234483 | CIF | Ge0.77 Sb0.15 Te | R 3 m :H | 4.2348; 4.2348; 10.373 90; 90; 120 | 161.1 | Felix Fahrnbauer; Stefan Maier; Martin Grundei; Nadja Giesbrecht; Markus Nentwig; Tobias Rosenthal; Gerald Wagner; G. Jeffrey Snyder; Oliver Oeckler Heterostructures of skutterudites and germanium antimony tellurides - structure analysis and thermoelectric properties of bulk samples Journal of Materials Chemistry C, 2015, 3, 10525-10533 |
| 7242064 | CIF | C24 H27 Br3 N6 | R 3 m :H | 16.647; 16.647; 7.749 90; 90; 120 | 1859.7 | Ma, Shuai; Cui, Jing-Wang; Rao, Cai-Hui; Jia, Meng-Ze; Chen, Yun-Rui; Zhang, Jie Boosting activity of molecular oxygen by pyridinium-based photocatalysts for metal-free alcohol oxidation Green Chemistry, 2021, 23, 1337-1343 |
| 7701228 | CIF | C37 H30 Mg2 N O14.57 P | R 3 m :H | 25.5448; 25.5448; 21.0016 90; 90; 120 | 11868.3 | Stein, Timo; Hoffmann, Frank; Fröba, Michael A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules. Dalton transactions (Cambridge, England : 2003), 2019, 48, 15127-15135 |
| 7705076 | CIF | C6 H121 Na17 O162 Sb3 Tb3 W28 | R 3 m :H | 30.8691; 30.8691; 14.8152 90; 90; 120 | 12226 | Xu, Xin; Lu, Changtong; Xie, Saisai; Chen, Lijuan; Zhao, Junwei A trimeric tri-Tb<sup>3+</sup> including antimonotungstate and its Eu<sup>3+</sup>/Tb<sup>3+</sup>/Dy<sup>3+</sup>/Gd<sup>3+</sup>-codoped species with luminescence properties. Dalton transactions (Cambridge, England : 2003), 2020, 49, 12401-12410 |
| 7707455 | CIF | C63 H81 Cl3 Cu3 N9 | R 3 m :H | 14.7196; 14.7196; 8.367 90; 90; 120 | 1569.97 | Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties. Dalton transactions (Cambridge, England : 2003), 2021, 50, 8889-8898 |
| 8000282 | CIF | C8 H13 Be Br N O3 ad ar at2 be2 ca co d2 de di2 dr e5 ec en er ff h hy ic2 io ld n nn of og om ou rd re s sh si so t te th4 to tu ul us wh wi | R 3 m :H | 8.4155; 8.4155; 11.6376 90; 90; 120 | 713.76 | Tang, Zheng; Gao, Kai-Ge; Sun, Xiao-Fan; Yang, Xing-Ming; Wu, Yi-Zhang; Gao, Zhang-Ran; Cai, Hong-Ling; Wu, X. S. High-Temperature Molecular Ferroelectric Tris(2-hydroxyethyl) Ammonium Bromide with Dielectric Relaxation. The journal of physical chemistry letters, 2019, 6650-6655 |
| 8103511 | CIF | Al0.42 Ca8.5 Ce1.13 Cl Fe0.93 H9.84 Mn2.13 Na34.43 O152.34 Si50.68 Sr0.77 Ti3.51 Zr3.63 | R 3 m :H | 14.153; 14.153; 60.72 90; 90; 120 | 10533.2 | Rastsvetaeva, R.K.; Khomyakov, A.P.; Chapuis, G. Crystal structure and crystal-chemical features of a new Ti-rich member of the eudialyte family Zeitschrift fuer Kristallographie (149,1979-), 1999, 214, 271-278 |
| 8103688 | CIF | Nb1.95 O7.31004 Pb2.25 | R 3 m :H | 7.472; 7.472; 66.75 90; 90; 120 | 3227.42 | Bernotat-Wulf, H.; Hoffmann, W. Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ Zeitschrift fuer Kristallographie (149,1979-), 1982, 158, 101-117 |
| 8103689 | CIF | Nb2 O7.44 Pb2.44 | R 3 m :H | 7.46; 7.46; 96.26 90; 90; 120 | 4639.32 | Bernotat-Wulf, H.; Hoffmann, W. Die Kristallstrukturen der Bleiniobate vom Pyrochlor-typ Zeitschrift fuer Kristallographie (149,1979-), 1982, 158, 101-117 |
| 8103710 | CIF | In2 S4 Zn | R 3 m :H | 3.85; 3.85; 37.06 90; 90; 120 | 475.727 | Lappe, F.; Niggli, A.; Nitsche, R.; White, J.G. The crystal structure of In2 Zn S4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1962, 117, 146-152 |
| 8104026 | CIF | La3.258 Mn1.1 S6 | R 3 m :H | 14.081; 14.081; 21.79999 90; 90; 120 | 3743.29 | Cenzual, K.; Gelato, M.N.; Penzo, M.; Parthe, E. Overlooked trigonal symmetry in structures reported with monoclinic centered Bravais lattices; trigonal description of Li8 Pb3, Pt Te, Pt3 Te4, Pt2 Te3, Li Fe6 Ge4, Li Fe6 Ge5, Ca Ga6 Te10 and La3.266 Mn1.1 S6 Zeitschrift fuer Kristallographie (149,1979-), 1990, 193, 217-242 |
| 8104027 | CIF | Fe1.1 La3.22 S6 | R 3 m :H | 13.983; 13.983; 21.68999 90; 90; 120 | 3672.74 | Cenzual, K.; Gelato, M.N.; Parthe, E.; Penzo, M. Overlooked trigonal symmetry in structures reported with monoclinic centered Bravais lattices; trigonal description of Li8 Pb3, Pt Te, Pt3 Te4, Pt2 Te3, Li Fe6 Ge4, Li Fe6 Ge5, Ca Ga6 Te10 and La3.266 Mn1.1 S6 Zeitschrift fuer Kristallographie (149,1979-), 1990, 193, 217-242 |
| 8104227 | CIF | C Si | R 3 m :H | 3.078; 3.078; 279.5 90; 90; 120 | 2293.24 | Krishna, P.; Verma, A.R. An X-Ray diffraction study of silicon carbide structure types ((33)n 34)3 R Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1962, 117, 1-15 |
| 8104265 | CIF | Ni S | R 3 m :H | 9.476; 9.476; 3.148 90; 90; 120 | 244.802 | Kolkmeijer, N.H.; Moesveld, A.L.T. Ueber die Dichte und Struktur des Millerits (rhomboedrischen Nickelsulfids) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1931, 80, 91-102 |
| 8104345 | CIF | C Si | R 3 m :H | 3.079; 3.079; 370.0198 90; 90; 120 | 3037.91 | Ram, U.S.; Dubey, M.; Singh, G. Structure and growth of an unusual silicon carbide polytype 147R Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1973, 137, 341-351 |
| 8104367 | CIF | Ca3 O5 Si | R 3 m :H | 7.135; 7.135; 25.586 90; 90; 120 | 1128.03 | Nishi, F.; Takeuchi, Y. The rhombohedral structure of tricalcium silicate at 1200 degrees C Zeitschrift fuer Kristallographie (149,1979-), 1984, 168, 197-212 |
| 8106809 | CIF | C38 H45 Cl N4 O Pd | R 3 m :H | 30.1968; 30.1968; 11.4611 90; 90; 120 | 9050.6 | Wang, Xin-Ling; Li, Hong-Mei Crystal structure of [2-(4-methoxyphenyl)pyrazine-κ2 C,N) chlorido[N,N′-bis-(2,6-diisopropyl-phenyl)imidazol-2-ylidene-κC)] palladium(II), C38H45ClN4OPd Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 145-147 |
| 9000028 | CIF | C7 Si7 | R 3 m :H | 3.073; 3.073; 52.78 90; 90; 120 | 431.643 | Ramsdell, L. S. The crystal structure of alpha-SiC, type IV American Mineralogist, 1944, 29, 431-442 |
| 9000029 | CIF | C11 Si11 | R 3 m :H | 3.073; 3.073; 82.94 90; 90; 120 | 678.297 | Ramsdell, L. S. The crystal structure of alpha-SiC, type VI American Mineralogist, 1944, 29, 519-525 |
| 9000031 | CIF | C17 Si17 | R 3 m :H | 3.073; 3.073; 128.15 90; 90; 120 | 1048.03 | Ramsdell, L. S. The crystal structure of alpha-SiC, type V American Mineralogist, 1946, 31, 205-205 |
| 9000035 | CIF | C17 Si17 | R 3 m :H | 3.073; 3.073; 128.17 90; 90; 120 | 1048.19 | Ramsdell, L. S. Studies on silicon carbide American Mineralogist, 1947, 32, 64-82 |
| 9000036 | CIF | C29 Si29 | R 3 m :H | 3.073; 3.073; 218.65 90; 90; 120 | 1788.16 | Ramsdell, L. S. Studies on silicon carbide American Mineralogist, 1947, 32, 64-82 |
| 9000042 | CIF | Al6 B3 H4 Mg3 Na O31 Si6 | R 3 m :H | 15.951; 15.951; 7.24 90; 90; 120 | 1595.31 | Hamburger, G. E.; Buerger, M. J. The structure of tourmaline American Mineralogist, 1948, 33, 532-540 |
| 9000216 | CIF | Al6 B3 F Fe3 H3 Na O30 Si6 | R 3 m :H | 15.869; 15.869; 7.188 90; 90; 120 | 1567.61 | Tippe, A.; Hamilton, W. C. A neutron-diffraction study of the ferric tourmaline, buergerite American Mineralogist, 1971, 56, 101-113 |
| 9000726 | CIF | Al5.94 B3 Ca0.36 Cr0.18 Fe0.18 H3 Mg2.04 Na0.46 O31 Si5.64 Ti0.06 V1.11 | R 3 m :H | 15.967; 15.967; 7.191 90; 90; 120 | 1587.69 | Foit, F. F.; Rosenberg, P. E. The structure of vanadium-bearing tourmaline and its implications regarding tourmaline solid solutions American Mineralogist, 1979, 64, 788-798 |
| 9001206 | CIF | Al6.966 B3 Fe1.902 H3 Na0.54 O30.333 Si5.856 | R 3 m :H | 15.963; 15.963; 7.148 90; 90; 120 | 1577.41 | Foit, F. F. Crystal chemistry of alkali-deficient schorl and tourmaline structural relationships American Mineralogist, 1989, 74, 422-431 |
| 9001513 | CIF | Al6.078 B3 Ca0.009 Cr0.006 Fe0.612 K0.014 Mg2.274 Mn0.003 Na0.814 O34 Si6 Ti0.03 | R 3 m :H | 15.947; 15.947; 7.214 90; 90; 120 | 1588.78 | Hawthorne, F. C.; MacDonald, D. J.; Burns, P. C. Reassignment of cation site occupancies in tourmaline: Al-Mg disorder in the crystal structure of dravite American Mineralogist, 1993, 78, 265-270 |
| 9001517 | CIF | B3 Fe9 H1.998 Na O31 Si6 | R 3 m :H | 16.186; 16.186; 7.444 90; 90; 120 | 1688.95 | Grice, J. D.; Ercit, T. S.; Hawthorne, F. C. Povondraite, a redefinition of the tourmaline ferridravite Note: Atomic parameters updated by Grice on 11/20/2001. American Mineralogist, 1993, 78, 433-436 |
| 9001571 | CIF | Al6.891 B3 Fe1.599 Li0.219 Mg0.051 Mn0.24 Na0.25 O31 Si6 | R 3 m :H | 15.967; 15.967; 7.126 90; 90; 120 | 1573.34 | MacDonald, D. J.; Hawthorne, F. C.; Grice, J. D. Foitite, _[Fe2(Al,Fe)]Al6Si6O18(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure American Mineralogist, 1993, 78, 1299-1303 |
| 9001968 | CIF | Al8.16 B3 Li0.84 Na0.43 O31 Si6 | R 3 m :H | 15.77; 15.77; 7.085 90; 90; 120 | 1525.93 | Selway, J. B.; Novak, M.; Hawthorne, F. C.; Cerny, P.; Ottolini, L.; Kyser, T. K. Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure American Mineralogist, 1998, 83, 896-900 |
| 9002170 | CIF | Al7.014 B3 Ca0.1 F0.302 Fe1.233 H3.465 K0.043 Li0.006 Mg0.846 Na0.711 O30.698 Si5.832 Ti0.048 V0.006 Zn0.006 | R 3 m :H | 15.939; 15.939; 7.146 90; 90; 120 | 1572.23 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample 108749 American Mineralogist, 1999, 84, 922-928 |
| 9002171 | CIF | Al6.576 B3 Ca0.031 F0.355 Fe1.764 H3.2 K0.03 Li0.021 Mg0.528 Mn0.015 Na0.608 O30.645 Si6 Ti0.081 | R 3 m :H | 15.963; 15.963; 7.154 90; 90; 120 | 1578.73 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample DLux1 American Mineralogist, 1999, 84, 922-928 |
| 9002172 | CIF | Al6.072 B3 Ca0.37 Cr0.009 F0.134 Fe0.549 H3.018 K0.027 Li0.006 Mg2.538 Na0.418 O30.866 Si6 Ti0.036 V0.009 | R 3 m :H | 15.915; 15.915; 7.187 90; 90; 120 | 1576.49 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample LCW2356 American Mineralogist, 1999, 84, 922-928 |
| 9002173 | CIF | Al6.639 B3 Ca0.027 F0.204 Fe1.671 H3.396 K0.025 Mg0.636 Mn0.012 Na0.54 O30.796 Si6 Ti0.009 V0.006 Zn0.006 | R 3 m :H | 15.946; 15.946; 7.157 90; 90; 120 | 1576.03 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample HP2-1 American Mineralogist, 1999, 84, 922-928 |
| 9002174 | CIF | Al6.516 B3 Ca0.156 Cr0.009 F0.06 Fe1.029 H3.094 K0.015 Mg1.359 Mn0.006 Na0.348 O30.94 Si6 Ti0.069 V0.006 | R 3 m :H | 15.935; 15.935; 7.16 90; 90; 120 | 1574.52 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample O-T16-92 American Mineralogist, 1999, 84, 922-928 |
| 9002175 | CIF | Al6.567 B3 Ca0.016 F0.301 Fe1.05 H3.234 K0.015 Li0.006 Mg1.305 Mn0.018 Na0.684 O30.699 Si6 Ti0.024 V0.006 | R 3 m :H | 15.934; 15.934; 7.167 90; 90; 120 | 1575.86 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample SmFalls American Mineralogist, 1999, 84, 922-928 |
| 9002176 | CIF | Al6.606 B3 Ca0.017 F0.106 Fe1.047 H3.041 K0.04 Mg1.242 Na0.533 O30.894 Si6 Ti0.084 V0.015 | R 3 m :H | 15.935; 15.935; 7.164 90; 90; 120 | 1575.4 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample Ru-T17-92 American Mineralogist, 1999, 84, 922-928 |
| 9002177 | CIF | Al6.318 B3 Ca0.061 Cr0.006 F0.331 Fe0.789 H2.682 K0.031 Li0.006 Mg1.734 Mn0.006 Na0.626 O30.669 Si6 Ti0.123 V0.009 | R 3 m :H | 15.945; 15.945; 7.169 90; 90; 120 | 1578.48 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample Ru-T18-92 American Mineralogist, 1999, 84, 922-928 |
| 9002178 | CIF | Al5.439 B3 Ca0.368 F0.495 Fe1.158 H3.02 K0.029 Li0.018 Mg2.292 Mn0.012 Na0.471 O30.505 Si6 Ti0.033 | R 3 m :H | 15.965; 15.965; 7.199 90; 90; 120 | 1589.06 | Bloodaxe, E. S.; Hughes, J. M.; Dyar, M. D.; Grew, E. S.; Guidotti, C. V. Linking structure and chemistry in the schorl-dravite series Sample #32008 American Mineralogist, 1999, 84, 922-928 |
| 9002794 | CIF | Al0.177 As1.19 B4 Ca8.01 Ce2.328 F8.749 Fe0.823 H La2.214 Na0.583 O38.461 P0.227 Si6 Th2.448 | R 3 m :H | 10.8112; 10.8112; 27.3296 90; 90; 120 | 2766.38 | Ballirano, P.; Callegari, A.; Caucia, F.; Maras, A.; Mazzi, F.; Ungaretti, L. The crystal structure of vicanite - (Ce), a borosilicate showing an unusual (Si3B3O18) polyanion American Mineralogist, 2002, 87, 1139-1143 |
| 9002824 | CIF | Al4.56 B3 Ca0.48 F0.18 Fe2.04 H6.18 K0.01 Mg2.19 Na0.49 O30.82 Si6 Ti0.21 | R 3 m :H | 16.017; 16.017; 7.256 90; 90; 120 | 1612.09 | Camara, F.; Ottolini, L.; Hawthorne, F. C. Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 1 from Madagascar Note: intermediate between feruvite and schorl American Mineralogist, 2000, 87, 1437-1442 |
| 9002825 | CIF | Al6.75 B3 Ca0.03 F0.15 Fe2.01 H6.85 K0.01 Li0.33 Mg0.06 Mn0.18 Na0.64 O30.85 Si5.76 Ti0.06 Zn0.03 | R 3 m :H | 15.983; 15.983; 7.152 90; 90; 120 | 1582.25 | Camara, F.; Ottolini, L.; Hawthorne, F. C. Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 2 from Alto Lighona pegmatite field, Zambezia, Mozambique American Mineralogist, 2000, 87, 1437-1442 |
| 9002826 | CIF | Al6.78 B3 Ca0.01 F0.55 Fe0.9 H3.42 K0.01 Li0.66 Mg0.6 Na0.81 O30.45 Si5.76 Ti0.06 | R 3 m :H | 15.921; 15.921; 7.137 90; 90; 120 | 1566.7 | Camara, F.; Ottolini, L.; Hawthorne, F. C. Crystal chemistry of three tourmalines by SREF, EMPA and SIMS Sample: Crystal 3 from a pegmatite at Minas Gerais, Brazil American Mineralogist, 2000, 87, 1437-1442 |
| 9003067 | CIF | Al7.308 B3 Ca0.011 Fe0.021 H3 K0.002 Li0.378 Mn1.233 Na0.693 O31 Si5.928 | R 3 m :H | 15.9466; 15.9466; 7.1384 90; 90; 120 | 1572.06 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Sample BT from Eibenstein an der Thaya, Lower Austria American Mineralogist, 2003, 88, 1369-1376 |
| 9003068 | CIF | Al7.407 B3 Ca0.032 Fe0.018 H3 K0.004 Li0.483 Mn1.143 Na0.773 O31 Si5.826 Ti0.006 | R 3 m :H | 15.941; 15.941; 7.136 90; 90; 120 | 1570.42 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A. Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Sample P6 from Eibenstein an der Thaya, Lower Austria American Mineralogist, 2003, 88, 1369-1376 |
| 9003356 | CIF | Al8.622 B3.648 H3 Na0.91 O31 Si5.352 | R 3 m :H | 15.7537; 15.7537; 7.0707 90; 90; 120 | 1519.7 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T1 American Mineralogist, 2004, 89, 447-454 |
| 9003357 | CIF | Al8.718 B3.57 H3 Na0.92 O31 Si5.43 | R 3 m :H | 15.7713; 15.7713; 7.076 90; 90; 120 | 1524.24 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T2 American Mineralogist, 2004, 89, 447-454 |
| 9003358 | CIF | Al8.904 B3.51 H3 Na0.94 O31 Si5.49 | R 3 m :H | 15.7959; 15.7959; 7.0815 90; 90; 120 | 1530.19 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T3 American Mineralogist, 2004, 89, 447-454 |
| 9003359 | CIF | Al9 B3.378 H3 Na0.99 O31 Si5.622 | R 3 m :H | 15.8472; 15.8472; 7.0988 90; 90; 120 | 1543.91 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T4 American Mineralogist, 2004, 89, 447-454 |
| 9003360 | CIF | Al9 B3.354 H6 Na0.9 O31 Si5.646 | R 3 m :H | 15.9013; 15.9013; 7.1213 90; 90; 120 | 1559.39 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F. Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T5 American Mineralogist, 2004, 89, 447-454 |
| 9003558 | CIF | B3 Ca2.64 Ce4.41 F10 Fe0.77 H4 Na O38 P0.6 Si6.4 Th0.39 Ti0.23 Y7.56 | R 3 m :H | 10.7108; 10.7108; 27.0398 90; 90; 120 | 2686.45 | Boiocchi, M.; Callegari, A.; Ottolini, L.; Maras, A. The chemistry and crystal structure of okanoganite-(Y) and comparison with vicanite-(Ce) Sample: Golden Horn batholith near Washington Pass, Okanogan County American Mineralogist, 2004, 89, 1540-1545 |
| 9003640 | CIF | Al8.982 B3.324 H5 Na0.484 O31 Si5.676 | R 3 m :H | 15.8031; 15.8031; 7.0877 90; 90; 120 | 1532.92 | Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T. Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT1 from Eibenstein an der Thaya, Lower Austria Reported formula: (Na.46 Ca.01) (Al2.37 Li.33 Mn2+.25 Fe2+.04 Ti4+.01) Al6 (Si5.47 Al.28 B.25) O18 (BO3)3 [(OH)2.85 O.15] [O.86 (OH).10 F.04] Tourmaline American Mineralogist, 2005, 90, 481-487 |
| 9003641 | CIF | Al9 B3.39 H3 Na0.478 O31 Si5.61 | R 3 m :H | 15.8171; 15.8171; 7.0935 90; 90; 120 | 1536.9 | Ertl, A.; Rossman, G. R.; Hughes, J. M.; Prowatke, S.; Ludwig, T. Mn-bearing "oxy-rossmanite" with tetrahedrally-coordinated Al and B from Austria: Structure, chemistry, and infrared and optical spectroscopic study Sample: REDT4 from Eibenstein an der Thaya, Lower Austria Reported formula: (Na.46 Ca.01) (Al2.35 Li.32 Mn2+.28 Fe2+.04 Ti4+.01) Al6 (Si5.51 Al.25 B.24) O18 (BO3)3 [(OH)2.80 O.20] [O.86 (OH).10 F.04] Tourmaline American Mineralogist, 2005, 90, 481-487 |
| 9003817 | CIF | Al7.665 B3.09 Ca0.125 F0.51 Fe0.042 H3.637 Li1.248 Mn0.045 Na0.558 O30.49 Si5.91 | R 3 m :H | 15.8232; 15.8232; 7.096 90; 90; 120 | 1538.62 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Elb2rim American Mineralogist, 2005, 90, 1661-1668 |
| 9003818 | CIF | Al7.23 B3.006 Ca0.021 F0.648 H3.352 K0.008 Li0.849 Mn0.897 Na0.786 O30.352 Si5.976 Ti0.033 Zn0.009 | R 3 m :H | 15.9055; 15.9055; 7.127 90; 90; 120 | 1561.46 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2y American Mineralogist, 2005, 90, 1661-1668 |
| 9003819 | CIF | Al7.251 B3.024 Ca0.025 F0.525 H3.388 K0.004 Li0.78 Mn0.978 Na0.776 O30.475 Si5.922 Ti0.033 Zn0.012 | R 3 m :H | 15.9137; 15.9137; 7.1302 90; 90; 120 | 1563.78 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2z American Mineralogist, 2005, 90, 1661-1668 |
| 9003820 | CIF | Al7.269 B3 Ca0.029 F0.538 H3.393 K0.009 Li0.711 Mn1.074 Na0.758 O30.462 Si5.904 Ti0.042 | R 3 m :H | 15.9243; 15.9243; 7.1323 90; 90; 120 | 1566.32 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2w American Mineralogist, 2005, 90, 1661-1668 |
| 9003821 | CIF | Al7.305 B3 Ca0.022 F0.429 H3.382 K0.003 Li0.573 Mn1.161 Na0.737 O30.571 Si5.922 Ti0.039 | R 3 m :H | 15.9303; 15.9303; 7.1341 90; 90; 120 | 1567.9 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: sl2x American Mineralogist, 2005, 90, 1661-1668 |
| 9003822 | CIF | Al7.233 B3 Ca0.025 F0.388 H3.252 K0.004 Li0.444 Mn1.299 Na0.686 O30.612 Si5.982 Ti0.042 | R 3 m :H | 15.9398; 15.9398; 7.1363 90; 90; 120 | 1570.25 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2m American Mineralogist, 2005, 90, 1661-1668 |
| 9003823 | CIF | Al7.278 B3 Ca0.016 F0.409 H3.392 K0.007 Li0.447 Mn1.311 Na0.673 O30.591 Si5.922 Ti0.042 | R 3 m :H | 15.9461; 15.9461; 7.138 90; 90; 120 | 1571.87 | Bosi, F.; Agrosi, G.; Lucchesi, S.; Melchiorre, G.; Scandale, E. Mn-tourmaline from island of Elba (Italy): Crystal chemistry. Sample: Tsl2g American Mineralogist, 2005, 90, 1661-1668 |
| 9003825 | CIF | Al7.606 B3 Ca0.018 F0.319 H3.762 Li1.363 Mn0.031 Na0.549 O30.681 Si6 | R 3 m :H | 15.8318; 15.8318; 7.0998 90; 90; 120 | 1541.12 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 66c American Mineralogist, 2005, 90, 1784-1792 |
| 9003826 | CIF | Al7.587 B3 Ca0.04 F0.381 H3.632 K0.009 Li1.385 Mn0.029 Na0.515 O30.619 Si6 | R 3 m :H | 15.8343; 15.8343; 7.1007 90; 90; 120 | 1541.81 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 61Rda American Mineralogist, 2005, 90, 1784-1792 |
| 9003827 | CIF | Al7.514 B3.044 F0.626 Fe0.194 H3.573 Li1.25 Mn0.043 Na0.674 O30.374 Si5.956 | R 3 m :H | 15.8468; 15.8468; 7.1058 90; 90; 120 | 1545.35 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 60fc American Mineralogist, 2005, 90, 1784-1792 |
| 9003828 | CIF | Al7.459 B3.034 F0.503 Fe0.121 H3.713 Li1.282 Mg0.125 Mn0.096 Na0.625 O30.497 Si5.966 | R 3 m :H | 15.8528; 15.8528; 7.1083 90; 90; 120 | 1547.06 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 62ha American Mineralogist, 2005, 90, 1784-1792 |
| 9003829 | CIF | Al7.356 B3.004 Ca0.032 F0.516 Fe0.106 H6.484 K0.005 Li1.107 Mn0.43 Na0.661 O33.484 Si6 | R 3 m :H | 15.8801; 15.8801; 7.1169 90; 90; 120 | 1554.28 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 64gh American Mineralogist, 2005, 90, 1784-1792 |
| 9003830 | CIF | Al7.082 B3.014 F0.754 Fe0.795 H3.332 K0.005 Li0.927 Mg0.106 Mn0.072 Na0.841 O30.246 Si5.969 Ti0.035 | R 3 m :H | 15.901; 15.901; 7.1238 90; 90; 120 | 1559.88 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L4e American Mineralogist, 2005, 90, 1784-1792 |
| 9003831 | CIF | Al7.208 B3.026 Ca0.049 F0.542 Fe0.962 H3.355 K0.008 Li0.649 Mn0.149 Na0.823 O30.458 Si5.871 Ti0.015 Zn0.15 | R 3 m :H | 15.9285; 15.9285; 7.1286 90; 90; 120 | 1566.33 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: 61Vbh American Mineralogist, 2005, 90, 1784-1792 |
| 9003832 | CIF | Al7.045 B3 F0.433 Fe1.438 H3.346 K0.007 Li0.299 Mg0.017 Mn0.191 Na0.649 O30.567 Si5.893 Ti0.009 Zn0.108 | R 3 m :H | 15.9569; 15.9569; 7.1369 90; 90; 120 | 1573.76 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L4c American Mineralogist, 2005, 90, 1784-1792 |
| 9003833 | CIF | Al6.933 B3 Ca0.036 F0.235 Fe1.908 H3.303 K0.008 Li0.121 Mg0.06 Mn0.098 Na0.602 O30.765 Si5.834 Ti0.027 Zn0.047 | R 3 m :H | 15.9784; 15.9784; 7.1495 90; 90; 120 | 1580.79 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L3h American Mineralogist, 2005, 90, 1784-1792 |
| 9003834 | CIF | Al6.898 B3 Ca0.009 F0.295 Fe1.774 H3.363 K0.009 Li0.172 Mg0.012 Mn0.124 Na0.632 O30.705 Si5.929 Ti0.023 Zn0.067 | R 3 m :H | 15.9658; 15.9658; 7.1487 90; 90; 120 | 1578.12 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L4b American Mineralogist, 2005, 90, 1784-1792 |
| 9003835 | CIF | Al6.904 B3 Ca0.022 F0.201 Fe1.982 H3.347 K0.007 Mg0.137 Mn0.043 Na0.556 O30.799 Si5.883 Ti0.019 Zn0.033 | R 3 m :H | 15.9768; 15.9768; 7.1534 90; 90; 120 | 1581.33 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L4d American Mineralogist, 2005, 90, 1784-1792 |
| 9003836 | CIF | Al6.757 B3 Ca0.048 F0.201 Fe2.03 H3.367 K0.01 Li0.04 Mg0.251 Mn0.032 Na0.647 O30.799 Si5.831 Ti0.032 Zn0.026 | R 3 m :H | 15.9825; 15.9825; 7.1596 90; 90; 120 | 1583.83 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L1v American Mineralogist, 2005, 90, 1784-1792 |
| 9003837 | CIF | Al6.705 B3 Ca0.071 F0.249 Fe2.014 H3.321 K0.007 Li0.05 Mg0.296 Mn0.036 Na0.629 O30.751 Si5.832 Ti0.034 Zn0.031 | R 3 m :H | 15.9842; 15.9842; 7.1581 90; 90; 120 | 1583.84 | Bosi, F.; Andreozzi, G. B.; Federico, M.; Graziani, G.; Lucchesi, S. Crystal chemistry of the elbaite-schorl series Sample: L1z American Mineralogist, 2005, 90, 1784-1792 |
| 9004019 | CIF | Ag0.18 Al6.981 B3 F0.47 H6.53 Mg2.121 Na0.58 O30.53 Si5.898 | R 3 m :H | 15.8995; 15.8995; 7.1577 90; 90; 120 | 1567.01 | London, D.; Ertl, A.; Hughes, J. M.; Morgan VI G B; Fritz, E. A.; Harms, B. S. Synthetic Ag-rich tourmaline: Structure and chemistry Note: Y(B) adjusted to satisfy symmetry constraint American Mineralogist, 2006, 91, 680-684 |
| 9004078 | CIF | Ni S | R 3 m :H | 9.6071; 9.6071; 3.1434 90; 90; 120 | 251.255 | Grice, J. D.; Ferguson, R. B. Crystal structure refinement of millerite (B-NiS) The Canadian Mineralogist, 1974, 12, 248-252 |
| 9004090 | CIF | Al6.09 B3 Ca0.17 Fe2.43 H4 K0.01 Li0.06 Mg0.12 Mn0.03 Na0.88 O31 Si6 Ti0.06 | R 3 m :H | 15.992; 15.992; 7.19 90; 90; 120 | 1592.45 | Fortier, S.; Donnay, G. Schorl refinement showing composition dependence of the tourmaline structure The Canadian Mineralogist, 1975, 13, 173-177 |
| 9004203 | CIF | Al4.722 B3 Ca0.62 Fe1.992 H4 Mg2.025 Na0.38 O31 Si6 Ti0.291 | R 3 m :H | 16.012; 16.012; 7.245 90; 90; 120 | 1608.65 | Grice, J. D.; Robinson, G. W. Feruvite, a new member of the tourmaline group, and its crystal structure The Canadian Mineralogist, 1989, 27, 199-203 |
| 9004272 | CIF | Al7.26 B3 Ca0.2 F0.66 Fe0.03 H3.34 K0.01 Li1.05 Mn0.81 Na0.67 O30.34 Si5.82 Ti0.03 | R 3 m :H | 15.932; 15.932; 7.135 90; 90; 120 | 1568.43 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP1 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004273 | CIF | Al7.26 B3 Ca0.2 F0.66 Fe0.03 H3.3 K0.01 Li1.05 Mn0.81 Na0.67 O30.3 Si5.82 Ti0.03 | R 3 m :H | 15.932; 15.932; 7.135 90; 90; 120 | 1568.43 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP1, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004274 | CIF | Al7.14 B3 Ca0.16 F0.64 Fe0.15 H3.36 K0.01 Li1.05 Mn0.75 Na0.73 O30.36 Si5.88 Ti0.03 | R 3 m :H | 15.928; 15.928; 7.137 90; 90; 120 | 1568.08 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP2 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004275 | CIF | Al7.14 B3 Ca0.16 F0.66 Fe0.15 H3.36 K0.01 Li1.05 Mn0.75 Na0.73 O30.36 Si5.88 Ti0.03 | R 3 m :H | 15.928; 15.928; 7.137 90; 90; 120 | 1568.08 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP2, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004276 | CIF | Al6.96 B3 Ca0.15 F0.56 Fe0.66 H3.44 K0.01 Li0.9 Mn0.48 Na0.69 O30.44 Si5.88 Ti0.12 | R 3 m :H | 15.938; 15.938; 7.133 90; 90; 120 | 1569.17 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP3 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004277 | CIF | Al6.96 B3 Ca0.15 F0.54 Fe0.66 H3.42 K0.01 Li0.9 Mn0.48 Na0.69 O30.42 Si5.88 Ti0.12 | R 3 m :H | 15.938; 15.938; 7.133 90; 90; 120 | 1569.17 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP3, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004278 | CIF | Al7.11 B3 Ca0.06 F0.65 H3.35 K0.01 Li1.05 Mn0.81 Na0.77 O30.35 Si6 Ti0.03 | R 3 m :H | 15.872; 15.872; 7.138 90; 90; 120 | 1557.29 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T10 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004279 | CIF | Al7.11 B3 Ca0.06 F0.66 H3.3 K0.01 Li1.05 Mn0.81 Na0.77 O30.3 Si6 Ti0.03 | R 3 m :H | 15.872; 15.872; 7.138 90; 90; 120 | 1557.29 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T10, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004280 | CIF | Al7.2 B3 Ca0.05 F0.56 H3.44 K0.01 Li0.99 Mn0.84 Na0.74 O30.44 Si5.94 Ti0.03 | R 3 m :H | 15.882; 15.882; 7.123 90; 90; 120 | 1555.98 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T11 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004281 | CIF | Al7.2 B3 Ca0.05 F0.54 H3.42 K0.01 Li0.99 Mn0.84 Na0.74 O30.42 Si5.94 Ti0.03 | R 3 m :H | 15.882; 15.882; 7.123 90; 90; 120 | 1555.98 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T11, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004282 | CIF | Al7.05 B3 Ca0.04 F0.68 Fe0.06 H3.32 K0.01 Li0.99 Mn0.87 Na0.77 O30.32 Si6 Ti0.03 | R 3 m :H | 15.926; 15.926; 7.106 90; 90; 120 | 1560.88 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T12 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004283 | CIF | Al7.05 B3 Ca0.04 F0.66 Fe0.06 H3.3 K0.01 Li0.99 Mn0.87 Na0.77 O30.3 Si6 Ti0.03 | R 3 m :H | 15.926; 15.926; 7.106 90; 90; 120 | 1560.88 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T12, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004284 | CIF | Al7.32 B3 Ca0.08 F0.67 Fe0.3 H3.33 Li1.23 Mn0.15 Na0.7 O30.33 Si6 | R 3 m :H | 15.802; 15.802; 7.121 90; 90; 120 | 1539.91 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T15 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004285 | CIF | Al7.32 B3 Ca0.08 F0.66 Fe0.3 H3.3 Li1.23 Mn0.15 Na0.7 O30.3 Si6 | R 3 m :H | 15.802; 15.802; 7.121 90; 90; 120 | 1539.91 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T15, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004286 | CIF | Al7.74 B3 Ca0.17 F0.52 H3.48 Li1.35 Mn0.03 Na0.49 O30.48 Si5.88 | R 3 m :H | 15.854; 15.854; 7.106 90; 90; 120 | 1546.8 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: SD The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004287 | CIF | Al7.74 B3 Ca0.17 F0.48 H3.48 Li1.35 Mn0.03 Na0.49 O30.48 Si5.88 | R 3 m :H | 15.854; 15.854; 7.106 90; 90; 120 | 1546.8 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: SD, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004362 | CIF | Al5.514 B3 Ca0.813 Cr0.003 F0.967 H3.033 Li0.024 Mg3.591 Na0.173 O30.033 Si5.814 Ti0.027 V0.027 | R 3 m :H | 15.949; 15.949; 7.188 90; 90; 120 | 1583.45 | MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of Si=Al substitution in tourmaline Sample: T72 The Canadian Mineralogist, 1995, 33, 849-858 |
| 9004363 | CIF | Al5.892 B3 Ca0.762 Cr0.003 F0.832 H3.168 Li0.06 Mg3.327 Na0.229 O30.168 Si5.664 Ti0.027 V0.024 | R 3 m :H | 15.95; 15.95; 7.174 90; 90; 120 | 1580.57 | MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of Si=Al substitution in tourmaline Sample: T73 The Canadian Mineralogist, 1995, 33, 849-858 |
| 9004364 | CIF | Al5.814 B3 Ca0.697 Cr0.006 F0.835 H3.165 Li0.075 Mg3.291 Na0.288 O30.165 Si5.736 Ti0.027 V0.051 | R 3 m :H | 15.94; 15.94; 7.177 90; 90; 120 | 1579.25 | MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of Si=Al substitution in tourmaline Sample: T74 The Canadian Mineralogist, 1995, 33, 849-858 |
| 9004365 | CIF | Al6.132 B3 Ca0.768 Cr0.006 F0.737 H3.263 Li0.111 Mg3.108 Na0.205 O30.263 Si5.55 Ti0.033 V0.06 | R 3 m :H | 15.94; 15.94; 7.163 90; 90; 120 | 1576.17 | MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of Si=Al substitution in tourmaline Sample: T75 The Canadian Mineralogist, 1995, 33, 849-858 |
| 9004366 | CIF | Al5.76 B3 Ca0.595 Cr0.009 F0.784 H3.216 Li0.09 Mg3.201 Na0.362 O30.216 Si5.808 Ti0.021 V0.111 | R 3 m :H | 15.938; 15.938; 7.179 90; 90; 120 | 1579.29 | MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of Si=Al substitution in tourmaline Sample: T76 The Canadian Mineralogist, 1995, 33, 849-858 |
| 9004367 | CIF | Al5.916 B3 Ca0.716 Cr0.021 F0.915 H6.085 Li0.057 Mg3.186 Na0.255 O33.085 Si5.586 Ti0.033 V0.201 | R 3 m :H | 15.959; 15.959; 7.175 90; 90; 120 | 1582.57 | MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of Si=Al substitution in tourmaline Sample: T77 The Canadian Mineralogist, 1995, 33, 849-858 |
| 9004368 | CIF | Al6.084 B3 Ca0.774 Cr0.021 F0.808 H3.192 Li0.078 Mg3.141 Na0.202 O30.192 Si5.514 Ti0.036 V0.126 | R 3 m :H | 15.955; 15.955; 7.17 90; 90; 120 | 1580.68 | MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of Si=Al substitution in tourmaline Sample: T78 The Canadian Mineralogist, 1995, 33, 849-858 |
| 9004369 | CIF | Al5.862 B3 Ca0.769 Cr0.009 F0.805 H3.195 Li0.054 Mg3.288 Na0.202 O30.195 Si5.628 Ti0.036 V0.123 | R 3 m :H | 15.958; 15.958; 7.18 90; 90; 120 | 1583.48 | MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of Si=Al substitution in tourmaline Sample: T79 The Canadian Mineralogist, 1995, 33, 849-858 |
| 9004370 | CIF | Al5.916 B3 Ca0.746 Cr0.015 F0.854 H3.146 Li0.066 Mg3.21 Na0.221 O30.146 Si5.604 Ti0.027 V0.162 | R 3 m :H | 15.957; 15.957; 7.175 90; 90; 120 | 1582.18 | MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of Si=Al substitution in tourmaline Sample: T80 The Canadian Mineralogist, 1995, 33, 849-858 |
| 9004401 | CIF | Al6.45 B3 Ca0.43 Cr0.06 H3 Mg2.49 Na0.4 O31 Si6 | R 3 m :H | 15.917; 15.917; 7.189 90; 90; 120 | 1577.33 | Taylor, M. C.; Cooper, M. A.; Hawthorne, F. C. Local charge-compensation in hydroxyl-deficient uvite The Canadian Mineralogist, 1995, 33, 1215-1221 |
| 9004448 | CIF | As Ga3 H9 O17 Pb6 S | R 3 m :H | 7.225; 7.225; 17.03 90; 90; 120 | 769.876 | Jambor, J. L.; Owens, D. R.; Grice, J. D.; Feinglos, M. N. Gallobeudantite, PbGa3[(AsO4),(SO4)]2(OH)6, a new mineral species from Tsumeb, Namibia, and associated new gallium analogues of the alunite - jarosite family Locality: Tsumeb, Namibia The Canadian Mineralogist, 1996, 34, 1305-1315 |
| 9004519 | CIF | Ca5 F5 Na10 O20 P5 | R 3 m :H | 7.0179; 7.0179; 40.56 90; 90; 120 | 1729.99 | Sokolova, E. V.; Kabalov, Y. K.; Ferraris, G.; Schneider, J.; Khomyakov, A. P. Modular approach in solving the crystal structure of a synthetic dimorph of nacaphite, Na2Ca[PO4]F, from powder-diffraction data The Canadian Mineralogist, 1999, 37, 83-90 |
| 9004541 | CIF | Al6.99 B2.88 Ca0.002 F0.11 Fe1.71 H4 K0.002 Mg0.3 Na0.414 O30.89 Si6 | R 3 m :H | 15.973; 15.973; 7.137 90; 90; 120 | 1576.95 | Francis C A; Dyar M D; Williams M L; Hughes J M The occurrence and crystal structure of foitite from a tungsten-bearing vein at Copper Mountain, Taos County, New Mexico Note: y-coordinate of H3 changed to x/2. Locality: Copper Mountain, Taos County, New Mexico The Canadian Mineralogist, 1999, 37, 1431-1438 |
| 9004600 | CIF | Al8.424 B4.062 Ca0.4 F0.06 H3.31 Li0.357 Na0.294 O30.94 Si4.854 | R 3 m :H | 15.731; 15.731; 7.0638 90; 90; 120 | 1513.85 | Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Shearer, C. K.; Yates, M. G.; Guidotti, C. V. Tetrahedrally coordinated boron in a tourmaline: Boron-rich olenite from Stoffhutte, Koralpe, Austria The Canadian Mineralogist, 2000, 38, 861-868 |
| 9004799 | CIF | Al6.405 B3 Ca0.1 F0.03 Fe0.39 H3.05 K0.001 Mg2.163 Na0.71 O30.97 Si5.952 Ti0.09 | R 3 m :H | 15.9238; 15.9238; 7.1822 90; 90; 120 | 1577.18 | Ertl, A.; Hughes, J. M.; Brandstatter, F.; Dyar, M. D.; Prasad, P. S. R. Disordered Mg-bearing olenite from a granitic pegmatite at Goslarn, Austria: A chemical, structural, and infrared spectroscopic study Sample: GOS1, from the sample rim The Canadian Mineralogist, 2003, 41, 1363-1370 |
| 9004800 | CIF | Al6.483 B3 Ca0.11 F0.03 Fe0.411 H3.07 K0.002 Mg2.007 Na0.64 O30.97 Si6 Ti0.099 | R 3 m :H | 15.9149; 15.9149; 7.1757 90; 90; 120 | 1573.99 | Ertl, A.; Hughes, J. M.; Brandstatter, F.; Dyar, M. D.; Prasad, P. S. R. Disordered Mg-bearing olenite from a granitic pegmatite at Goslarn, Austria: A chemical, structural, and infrared spectroscopic study Sample: GOS2, from the sample core The Canadian Mineralogist, 2003, 41, 1363-1370 |
| 9004880 | CIF | Al7.656 B3 Ca0.01 F0.14 Fe0.93 H1.92 Li0.048 Mg0.132 Mn0.42 Na0.52 O30.86 Si5.73 Ti0.03 | R 3 m :H | 15.938; 15.938; 7.136 90; 90; 120 | 1569.83 | Ertl, A.; Pertlik, F.; Dyar, M. D.; Prowatke, S.; Hughes, J. M.; Ludwig, T.; Bernhardt, H. J. Fe-rich olenite with tetrahedrally coordinated Fe3+ from Eibenstein, Austria: Structural, chemical, and Mossbauer data Locality: Eibenstein, Austria The Canadian Mineralogist, 2004, 42, 1057-1063 |
| 9004970 | CIF | Al8.46 B3 Ca0.14 F0.01 Fe0.78 H2.49 K0.01 Mg0.12 Mn0.06 Na0.54 O31 Si5.58 | R 3 m :H | 15.8838; 15.8838; 7.1056 90; 90; 120 | 1552.53 | Cempirek, J.; Novak, M.; Ertl, A.; Hughes, J. M.; Rossman, G. R.; Dyar, D. Fe-bearing olenite with tetrahedrally coordinated Al from an abyssal pegmatite at Kutna Hora, Czech Republic: structure, crystal chemistry, optical and xanes spectra The Canadian Mineralogist, 2006, 44, 23-60 |
| 9004972 | CIF | C H0.5 Ca5.67 Ce0.69 Cl1.5 Dy0.03 Fe0.81 Gd0.06 K0.15 La0.36 Mn2.55 Na11.85 Nb0.16 Nd0.18 O81.38 Pr0.24 Si24.96 Sr0.51 Ti0.3 W0.82 Y0.24 Zr2.7 | R 3 m :H | 14.2675; 14.2675; 30.0369 90; 90; 120 | 5295.19 | Grice, J. C.; Gault, R. A. Johnsenite-(Ce): A new member of the eudialyte group from Mont Saint-Hilaire, Quebec, Canada Locality: Poudrette Quarry, Mont Saint-Hilaire, Rouville County, Quebec, Canada Note: Occupancies invented to satisfy constraints from paper The Canadian Mineralogist, 2006, 44, 105-115 |
| 9005328 | CIF | Al0.13 Ca3.27 Cl0.269 F1.51 Fe0.79 H0.22 Hf0.06 K0.3 Mg0.05 Mn3.68 Na14.479 Nb0.55 O75.81 Si25.1 Sr0.15 Ti0.23 Y0.42 Zr2.93 | R 3 m :H | 14.1686; 14.1686; 30.0847 90; 90; 120 | 5230.34 | Johnsen, O.; Grice, J. D.; Gault, R. A. Kentbrooksite from the Kangerdlugssuaq intrusion, East Greenland, a new Mn-REE-Nb-F end-member in a series within the eudialyte group: Description and crystal structure European Journal of Mineralogy, 1998, 10, 207-219 |
| 9005381 | CIF | Al7 B3 Ca0.483 H3.93 K0.105 Li2 Na0.412 O33 Si6 | R 3 m :H | 15.88; 15.88; 7.118 90; 90; 120 | 1554.5 | Aurisicchio C; Demartin F; Ottolini L; Pezzotta F Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 1 Locality: Madagascar European Journal of Mineralogy, 1999, 11, 237-242 |
| 9005382 | CIF | Al7 B3 Ca0.452 H3.93 K0.04 Li2 Na0.435 O33 Si6 | R 3 m :H | 15.882; 15.882; 7.115 90; 90; 120 | 1554.23 | Aurisicchio C; Demartin F; Ottolini L; Pezzotta F Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2 Locality: Madagascar European Journal of Mineralogy, 1999, 11, 237-242 |
| 9005457 | CIF | Al7.419 B3 Fe1.581 H3.58 O31 Si6 | R 3 m :H | 15.964; 15.964; 7.119 90; 90; 120 | 1571.21 | Kahlenberg, V.; Velickov, B. Structural investigations on a synthetic alkali-free hydrogen-deficient Fe-tourmaline (foitite) European Journal of Mineralogy, 2000, 12, 947-953 |
| 9005554 | CIF | Al8.88 B5.22 Na0.77 O31 Si3.78 | R 3 m :H | 15.5996; 15.5996; 7.0224 90; 90; 120 | 1479.94 | Marler, B.; Borowski, M.; Wodara, U.; Schreyer, W. Synthetic tourmaline (olenite) with excess boron replacing silicon in the tetrahedral site: II. Structure analysis Sample: 1 European Journal of Mineralogy, 2002, 14, 763-771 |
| 9005555 | CIF | Al8.88 B4.8 Na0.67 O31 Si4.2 | R 3 m :H | 15.6329; 15.6329; 7.0365 90; 90; 120 | 1489.25 | Marler, B.; Borowski, M.; Wodara, U.; Schreyer, W. Synthetic tourmaline (olenite) with excess boron replacing silicon in the tetrahedral site: II. Structure analysis Sample: 2 European Journal of Mineralogy, 2002, 14, 763-771 |
| 9005561 | CIF | Al8.469 B3.438 H3 Na0.58 O31 Si5.562 | R 3 m :H | 15.792; 15.792; 7.0878 90; 90; 120 | 1530.79 | Schreyer, W.; Hughes, J. M.; Bernhardt, H. J.; Kalt, A.; Prowatke, S.; Ertl, A. Reexamination of olenite from the type locality: detection of boron in tetrahedral coordination Note: z-coordinate for AlY and y-coordinate for H were altered by Hughes, Aug 2003 European Journal of Mineralogy, 2002, 14, 935-942 |
| 9005647 | CIF | Al5.37 B3 Ca0.246 Cr0.3 F0.081 H0.536 K0.012 Mg2.55 Na0.457 O30.919 Si5.952 Ti0.024 V0.804 | R 3 m :H | 15.961; 15.961; 7.2214 90; 90; 120 | 1593.21 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline sample TM507c European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005648 | CIF | Al5.628 B3 Ca0.335 Cr0.159 F0.054 Fe0.003 H0.507 K0.01 Mg2.715 Na0.479 O30.946 Si5.952 Ti0.039 V0.504 | R 3 m :H | 15.9521; 15.9521; 7.2167 90; 90; 120 | 1590.4 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM507e European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005649 | CIF | Al6.228 B3 Ca0.077 F0.004 Fe0.6 H0.632 K0.004 Mg2.085 Mn0.003 Na0.751 O30.996 Si5.988 Ti0.084 V0.003 Zn0.009 | R 3 m :H | 15.9433; 15.9433; 7.2095 90; 90; 120 | 1587.06 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM235a European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005650 | CIF | Al6.303 B3 Ca0.094 Cr0.003 F0.046 Fe0.576 H0.572 K0.003 Mg2.064 Na0.724 O30.954 Si5.982 Ti0.063 V0.003 Zn0.012 | R 3 m :H | 15.9388; 15.9388; 7.205 90; 90; 120 | 1585.17 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM235b European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005651 | CIF | Al6.198 B3 Ca0.257 Cr0.009 F0.126 Fe0.834 H0.47 K0.002 Mg2.013 Mn0.003 Na0.558 O30.874 Si5.856 Ti0.054 V0.009 Zn0.009 | R 3 m :H | 15.9633; 15.9633; 7.1942 90; 90; 120 | 1587.66 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM112a European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005652 | CIF | Al6.198 B3 Ca0.263 Cr0.015 F0.06 Fe0.801 H0.469 K0.003 Mg2.034 Mn0.009 Na0.559 O30.94 Si5.88 Ti0.06 V0.009 | R 3 m :H | 15.9636; 15.9636; 7.1911 90; 90; 120 | 1587.04 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM112c European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005653 | CIF | Al6.387 B3 Ca0.099 F0.004 Fe0.486 H0.633 K0.004 Mg2.151 Na0.714 O30.995 Si5.922 Ti0.039 V0.003 Zn0.012 | R 3 m :H | 15.9355; 15.9355; 7.2002 90; 90; 120 | 1583.46 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM233g European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005654 | CIF | Al6.213 B3 Ca0.007 Cr0.006 F0.021 Fe0.54 H0.405 K0.011 Mg2.208 Mn0.003 Na0.742 O30.978 Si6 Ti0.021 V0.003 Zn0.003 | R 3 m :H | 15.9267; 15.9267; 7.1991 90; 90; 120 | 1581.47 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM501e European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005655 | CIF | Al6.981 B3 Ca0.01 F0.038 Fe1.365 H0.395 K0.006 Mg0.612 Mn0.054 Na0.451 O30.963 Si5.952 Ti0.027 V0.003 Zn0.012 | R 3 m :H | 15.9391; 15.9391; 7.1515 90; 90; 120 | 1573.46 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM84a European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005656 | CIF | Al6.3 B3 Ca0.093 F0.205 Fe1.734 H0.443 K0.009 Mg0.975 Mn0.012 Na0.682 O30.795 Si5.874 Ti0.081 Zn0.015 | R 3 m :H | 15.9856; 15.9856; 7.184 90; 90; 120 | 1589.84 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: TourmalineTM60e European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005657 | CIF | Al6.111 B3 Ca0.11 F0.02 Fe0.783 H0.618 K0.01 Mg2.088 Mn0.006 Na0.677 O30.98 Si5.958 Ti0.042 V0.006 Zn0.009 | R 3 m :H | 15.9541; 15.9541; 7.2035 90; 90; 120 | 1587.88 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM65e European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005658 | CIF | Al5.262 B3 Ca0.412 Cr0.168 F0.314 Fe0.006 H0.248 K0.015 Mg2.784 Mn0.003 Na0.477 O30.685 Si5.91 Ti0.027 V0.831 Zn0.015 | R 3 m :H | 15.9706; 15.9706; 7.2276 90; 90; 120 | 1596.49 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM504c European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005659 | CIF | Al6.675 B3 F0.177 Fe1.668 H0.512 K0.013 Li0.012 Mg0.663 Na0.633 O30.823 Si5.91 Ti0.051 Zn0.009 | R 3 m :H | 15.9659; 15.9659; 7.1693 90; 90; 120 | 1582.68 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl2ap European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005660 | CIF | Al6.798 B3 F0.178 Fe1.725 H0.538 K0.013 Li0.024 Mg0.498 Mn0.048 Na0.678 O30.821 Si5.838 Ti0.03 Zn0.039 | R 3 m :H | 15.9736; 15.9736; 7.1644 90; 90; 120 | 1583.13 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl2al European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005661 | CIF | Al6.39 B3 F0.207 Fe1.665 K0.006 Li0.006 Mg0.906 Mn0.024 Na0.727 O30.793 Si5.94 Ti0.048 Zn0.018 | R 3 m :H | 15.9669; 15.9669; 7.1745 90; 90; 120 | 1584.03 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl3l European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005662 | CIF | Al6.429 B3 F0.157 Fe1.617 H0.14 K0.009 Li0.012 Mg0.879 Mn0.027 Na0.712 O30.843 Si5.964 Ti0.051 Zn0.024 | R 3 m :H | 15.9664; 15.9664; 7.1758 90; 90; 120 | 1584.22 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TMl4aa European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005663 | CIF | Al6.339 B3 Ca0.151 Cr0.003 F0.07 Fe0.348 H0.51 K0.01 Mg2.184 Mn0.012 Na0.605 O30.93 Si5.94 Ti0.129 V0.024 Zn0.021 | R 3 m :H | 15.9341; 15.9341; 7.189 90; 90; 120 | 1580.72 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM9840c European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005664 | CIF | Al6.291 B3 Ca0.187 Cr0.006 F0.054 Fe0.342 H0.442 K0.013 Mg2.214 Mn0.012 Na0.594 O30.946 Si5.952 Ti0.144 V0.039 Zn0.006 | R 3 m :H | 15.9303; 15.9303; 7.1951 90; 90; 120 | 1581.3 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM9840f European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005665 | CIF | Al5.805 B3 Ca0.163 Cr0.003 F0.042 Fe1.404 H0.509 K0.005 Mg1.728 Mn0.003 Na0.731 O30.958 Si5.91 Ti0.09 V0.045 Zn0.009 | R 3 m :H | 15.9821; 15.9821; 7.2215 90; 90; 120 | 1597.44 | Bosi, F.; Lucchesi, S. Crystal chemistry of the schorl-dravite series Note: Tourmaline TM9914b European Journal of Mineralogy, 2004, 16, 335-344 |
| 9005666 | CIF | Al2.1 B3 Ca0.073 Cr4.347 F0.381 Fe0.051 H3.009 K0.017 Mg2.244 Na0.88 O30.618 Si5.886 Ti0.003 V0.354 Zn0.021 | R 3 m :H | 16.0539; 16.0539; 7.3247 90; 90; 120 | 1634.86 | Bosi, F.; Lucchesi, S.; Reznitskii, L. Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMt3b European Journal of Mineralogy, 2004, 16, 345-352 |
| 9005667 | CIF | Al2.364 B3 Ca0.068 Cr4.029 F0.332 Fe0.036 H2.982 K0.017 Mg2.322 Na0.892 O30.668 Si5.976 Ti0.03 V0.243 | R 3 m :H | 16.0377; 16.0377; 7.3157 90; 90; 120 | 1629.56 | Bosi, F.; Lucchesi, S.; Reznitskii, L. Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMt6b European Journal of Mineralogy, 2004, 16, 345-352 |
| 9005668 | CIF | Al2.856 B3 Ca0.043 Cr3.372 F0.361 Fe0.027 H2.937 K0.027 Mg2.085 Na0.842 O30.639 Si5.868 Ti0.003 V0.783 Zn0.009 | R 3 m :H | 16.0299; 16.0299; 7.3056 90; 90; 120 | 1625.73 | Bosi, F.; Lucchesi, S.; Reznitskii, L. Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMt3c European Journal of Mineralogy, 2004, 16, 345-352 |
| 9005669 | CIF | Al2.682 B3 Ca0.097 Cr3.9 F0.393 Fe0.042 H2.82 K0.014 Mg2.208 Na0.829 O30.607 Si5.982 Ti0.03 V0.147 Zn0.012 | R 3 m :H | 16.0204; 16.0204; 7.2985 90; 90; 120 | 1622.22 | Bosi, F.; Lucchesi, S.; Reznitskii, L. Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TMpr79f European Journal of Mineralogy, 2004, 16, 345-352 |
| 9005670 | CIF | Al3.354 B3 Ca0.028 Cr3.15 F0.259 Fe0.036 H3.034 K0.022 Mg2.169 Na0.888 O30.741 Si5.988 Ti0.003 V0.279 Zn0.015 | R 3 m :H | 15.9911; 15.9911; 7.2764 90; 90; 120 | 1611.4 | Bosi, F.; Lucchesi, S.; Reznitskii, L. Crystal chemistry of the dravite-chromdravite series Note: Tourmaline TM1p43e European Journal of Mineralogy, 2004, 16, 345-352 |
| 9005687 | CIF | Al7.68 B3 Ca0.03 F0.54 Fe0.06 H3.37 K0.01 Li0.54 Mn0.93 Na0.84 O30.46 Si5.76 Ti0.03 | R 3 m :H | 15.9158; 15.9158; 7.1201 90; 90; 120 | 1561.97 | Ertl, A.; Schuster, R.; Prowatke, S.; Brandstatter, F.; Ludwig, T.; Bernhardt, H. J.; Koller, F.; Hughes, J. M. Mn-rich tourmaline and fluorapatite in a Variscan pegmatite from Eibenstein an der Thaya, Bohemian massif, Lower Austria European Journal of Mineralogy, 2004, 16, 551-560 |
| 9005689 | CIF | Al5.91 B3.18 Ca0.02 F0.07 Fe0.63 H3.93 Mg2.37 Na0.96 O30.93 Si5.82 Ti0.06 | R 3 m :H | 15.9443; 15.9443; 7.2094 90; 90; 120 | 1587.23 | Marschall, H. R.; Ertl, A.; Hughes, J. M.; McCammon, C. A. Metamorphic Na- and OH-rich disordered dravite with tetrahedral boron, associated with omphacite, from Syros, Greece: chemistry and structure Sample: SY309B European Journal of Mineralogy, 2004, 16, 817-823 |
| 9007661 | CIF | Mo S2 | R 3 m :H | 3.163; 3.163; 18.37 90; 90; 120 | 159.162 | Schonfeld, B.; Huang, J. J.; Moss, S. C. Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 3R polytype Acta Crystallographica, Section B, 1983, 39, 404-407 |
| 9008157 | CIF | As4 Pb9 S15 | R 3 m :H | 17.758; 17.758; 7.807 90; 90; 120 | 2132.08 | Ribar, B.; Nowacki, W. Neubestimmung der kristallstruktur von gratonit, Pb9As4S15 Zeitschrift fur Kristallographie, 1969, 128, 321-338 |
| 9009148 | CIF | Mo S2 | R 3 m :H | 3.16; 3.16; 18.45 90; 90; 120 | 159.552 | Wyckoff, R. W. G. Second edition. Interscience Publishers, New York, New York Crystal Structures, 1963, 1, 280-281 |
| 9009265 | CIF | Ca9 O15 Si3 | R 3 m :H | 7.078; 7.078; 24.94 90; 90; 120 | 1082.05 | O'Daniel H; Hellner, E. Zur struktur von 3CaO*SiO2 Neues Jahrbuch fur Mineralogie, Monatshefte, 1950, 1950, 108-111 |
| 9009291 | CIF | Al3 Ba0.95 H6 O14 P2 Sr0.01 | R 3 m :H | 7.0363; 7.0363; 17.28188 90; 90; 120 | 740.987 | Radoslovich, E. W.; Slade, P. G. Pseudo-trigonal symmetry and the structure of gorceixite Neues Jahrbuch fur Mineralogie, Monatshefte, 1980, 1980, 157-170 |
| 9009315 | CIF | Al7.53 B3 Ca0.04 H4 Li0.42 Mn0.93 Na0.85 O31 Si6 | R 3 m :H | 15.916; 15.916; 7.13 90; 90; 120 | 1564.19 | Nuber, B.; Schmetzer, K. Structural refinement of tsilaisite (manganese tourmaline) Neues Jahrbuch fur Mineralogie, Monatshefte, 1984, 1984, 301-304 |
| 9009332 | CIF | Fe3 H6 O14 P Pb S | R 3 m :H | 7.28; 7.28; 16.821 90; 90; 120 | 772.05 | Giuseppe, G.; Tadini, C. Corkite, PbFe3(SO4)(PO4)(OH)6, its crystal structure and ordered arrangement of the tetrahedral cations Note: this is the prefered structure of these authors Neues Jahrbuch fur Mineralogie, Monatshefte, 1987, 1987, 71-81 |
| 9009439 | CIF | C0.125 H8 Fe0.25 Mg0.75 O2.875 | R 3 m :H | 3.13; 3.13; 23.49 90; 90; 120 | 199.298 | Ingram, L.; Taylor, H. F. W. The crystal structures of sjoegrenite and pyroaurite Mineralogical Magazine, 1967, 36, 465-479 |
| 9009489 | CIF | C3 Ce O13 P Sr3 | R 3 m :H | 10.073; 10.073; 9.234 90; 90; 120 | 811.406 | Hughes, J. M.; Yunxiang, N. A high-precision crystal structure refinement of daqingshanite-(Ce) from Nkombwa Hill carbonatite, Zambia Mineralogical Magazine, 1994, 58, 493-496 |
| 9009650 | CIF | As | R 3 m :H | 3.7597; 3.7597; 10.4412 90; 90; 120 | 127.817 | Schiferl, D.; Barrett CS The crystal structure of arsenic at 4.2, 78 and 299 K Sample: T = 4.2 K Journal of Applied Crystallography, 1969, 2, 30-36 |
| 9010125 | CIF | Al7.41 B3.12 Ca0.57 F0.76 H3.24 Li1.32 Mn0.06 Na0.29 O30.24 Si5.88 | R 3 m :H | 15.8322; 15.8322; 7.1034 90; 90; 120 | 1541.98 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H. Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID3NEW American Mineralogist, 2006, 91, 1847-1856 |
| 9010126 | CIF | Al7.56 B3.24 Ca0.5 F0.56 Fe0.06 H3.441 Li1.14 Mn0.03 Na0.34 O30.44 Si5.76 | R 3 m :H | 15.8204; 15.8204; 7.0955 90; 90; 120 | 1537.97 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H. Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID6A1 American Mineralogist, 2006, 91, 1847-1856 |
| 9010127 | CIF | Al7.62 B3.3 Ca0.41 F0.51 Fe0.03 H3.489 Li1.08 Mn0.03 Na0.41 O30.49 Si5.7 | R 3 m :H | 15.8119; 15.8119; 7.0925 90; 90; 120 | 1535.67 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H. Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LID52 American Mineralogist, 2006, 91, 1847-1856 |
| 9010128 | CIF | Al7.83 B3.42 Ca0.3 F0.5 H3.501 Li0.9 Na0.46 O30.5 Si5.58 | R 3 m :H | 15.8095; 15.8095; 7.0941 90; 90; 120 | 1535.55 | Ertl, A.; Hughes, J. M.; Prowatke, S.; Ludwig, T.; Prasad, P. S. R.; Brandstatter, F.; Korner, W.; Schuster, R.; Pertlik, F.; Marschall, H. Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite series from Madagascar: Structure, chemistry, and infrared spectroscopic studies Locality: Anjanabonoina, Madagascar Sample: LC1 American Mineralogist, 2006, 91, 1847-1856 |
| 9010545 | CIF | Ca4.68 Ce0.45 Cl0.764 Fe2.28 H1.244 K0.3 La0.33 Mn1.86 Na13.02 Nb0.62 Nd0.12 O78.494 Si25.12 Sr0.12 Ta0.04 Ti0.06 Y0.18 Zr3 | R 3 m :H | 14.2277; 14.2277; 29.987 90; 90; 120 | 5256.94 | Johnsen, O.; Grice, J. D. The crystal chemistry of the eudialyte group Sample: #2 The Canadian Mineralogist, 1999, 37, 865-891 |
| 9010546 | CIF | Ca4.8 Ce0.75 Cl1.08 Fe1.47 H0.93 K0.24 La0.51 Mn2.34 Na13.08 Nb0.78 Nd0.15 O76.47 Si24.93 Sr0.06 Ta0.07 Y0.18 Zr3 | R 3 m :H | 14.2602; 14.2602; 29.98 90; 90; 120 | 5279.75 | Johnsen, O.; Grice, J. D. The crystal chemistry of the eudialyte group Sample: #3 Note: additional sites with low but unreported occupancies excluded The Canadian Mineralogist, 1999, 37, 865-891 |
| 9010547 | CIF | Ca3.72 Ce0.39 Cl0.4 Fe1.05 H1.58 K0.24 La0.24 Mn3.42 Na13.35 Nb0.79 Nd0.09 O76.7 Si25.33 Sr0.12 Ti0.12 Y0.12 Zr2.76 | R 3 m :H | 14.1854; 14.1854; 30.101 90; 90; 120 | 5245.6 | Johnsen, O.; Grice, J. D. The crystal chemistry of the eudialyte group Sample: #4 Note: additional sites with low but unreported occupancies excluded The Canadian Mineralogist, 1999, 37, 865-891 |
| 9010549 | CIF | Ca6.39 Ce0.039 Cl0.636 Fe2.1 H1.362 K0.36 La0.036 Mn0.81 Na11.37 Nb0.31 O77.092 Si25 Sr2.745 W0.52 Zr2.97 | R 3 m :H | 14.2959; 14.2959; 30.084 90; 90; 120 | 5324.63 | Johnsen, O.; Grice, J. D. The crystal chemistry of the eudialyte group Sample: #6 The Canadian Mineralogist, 1999, 37, 865-891 |
| 9010554 | CIF | Ba0.06 Ca6.78 Ce0.06 Cl0.841 Fe1.05 H1.139 K0.3 La0.06 Mn1.44 Na11.64 Nb0.715 O76.004 Si25.38 Sr1.32 Ti0.345 Y0.06 Zr2.58 | R 3 m :H | 14.271; 14.271; 30.16 90; 90; 120 | 5319.5 | Johnsen, O.; Grice, J. D. The crystal chemistry of the eudialyte group Sample: #11 The Canadian Mineralogist, 1999, 37, 865-891 |
| 9010556 | CIF | Al0.15 Ca3.36 Ce0.71 Cl0.269 F1.541 Fe0.75 H0.192 Hf0.06 K0.3 La0.58 Mn3.78 Na13.93 Nb0.55 Nd0.138 O75.752 Si25.11 Sr0.15 Ti0.2 Y0.42 Zr2.95 | R 3 m :H | 14.199; 14.199; 30.139 90; 90; 120 | 5262.29 | Johnsen, O.; Grice, J. D. The crystal chemistry of the eudialyte group Sample: #13 The Canadian Mineralogist, 1999, 37, 865-891 |
| 9010559 | CIF | Ca4.95 Ce0.582 Cl0.45 Fe1.05 H1.549 K0.33 La0.408 Mn2.49 Na13.05 Nb0.95 Nd0.15 O77.549 Si24.93 Sr0.72 Y0.24 Zr2.97 | R 3 m :H | 14.2784; 14.2784; 30.089 90; 90; 120 | 5312.48 | Johnsen, O.; Grice, J. D. The crystal chemistry of the eudialyte group Sample: #16 The Canadian Mineralogist, 1999, 37, 865-891 |
| 9010560 | CIF | Al0.84 Ba0.03 Ca3.51 Ce0.573 Cl0.798 F1.2 Fe1.5 K0.285 La0.327 Mn2.16 Na12.96 Nb0.46 Nd0.327 O74.93 Si24.94 Sr0.57 Ti0.36 Y0.51 Yb0.141 Zr3.086 | R 3 m :H | 14.22; 14.22; 30.15 90; 90; 120 | 5279.8 | Johnsen, O.; Grice, J. D. The crystal chemistry of the eudialyte group Sample: #17 Note: additional sites with low but unreported occupancies excluded Note: X2d reported but missing z-coordinate The Canadian Mineralogist, 1999, 37, 865-891 |
| 9010664 | CIF | Al0.381 As1.16 Ca0.02 Ce0.44 Fe1.671 La0.21 Nd0.22 O13 Si1.68 Sn0.009 Th0.06 Ti0.939 U0.02 Y0.03 | R 3 m :H | 6.508; 6.508; 18.52 90; 90; 120 | 679.308 | Demartin, F.; Gramaccioli, C. M.; Graeser, S. The crystal structure of cervandonite-(Ce), an interesting example of As3+ - Si diadochy Note: Chemistry from original description of the mineral. The Canadian Mineralogist, 2008, 46, 423-430 |
| 9010716 | CIF | Al7 B3 Ca0.483 H3.333 K0.105 Li2 Na0.412 O31 Si6 | R 3 m :H | 15.88; 15.88; 7.118 90; 90; 120 | 1554.5 | Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F. Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 1 Locality: Madagascar European Journal of Mineralogy, 1999, 11, 237-242 |
| 9010717 | CIF | Al7 B3 Ca0.452 H3.333 K0.04 Li2 Na0.435 O31 Si6 | R 3 m :H | 15.882; 15.882; 7.115 90; 90; 120 | 1554.23 | Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F. Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2 Locality: Madagascar European Journal of Mineralogy, 1999, 11, 237-242 |
| 9010751 | CIF | Al19.35 B9 F2.28 Fe6.75 H17.72 K0.03 Mg0.09 Mn0.36 Na2.34 O90.72 Si17.64 Ti0.09 Zn0.09 | R 3 m :H | 15.997; 15.997; 7.179 90; 90; 120 | 1591.01 | Ertl, A.; Kolitsch, U.; Prowatke, S.; Dyar, M. D.; Henry, D. J. The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal structure and chemistry Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy European Journal of Mineralogy, 2006, 18, 583-588 |
| 9011454 | CIF | Ca3 O4.987 Si | R 3 m :H | 7.135; 7.135; 25.586 90; 90; 120 | 1128.03 | Nishi, F.; Takeuchi, Y. The rhombohedral structure of tricalcium silicate at 1200 C Sample: T = 1200 C Note: cannot reconcile reported structure with reported bond lengths Zeitschrift fur Kristallographie, 1984, 168, 197-212 |
| 9011770 | CIF | Ca5.151 Cl1.74 Fe1.932 Hf0.051 K0.171 Mn1.503 Na10.65 Nb1.27 O76.401 Si24.45 Sn0.03 Sr3.87 Y0.138 Zr2.88 | R 3 m :H | 14.2828; 14.2828; 30.0222 90; 90; 120 | 5303.96 | Petersen, O. V.; Johnsen, O.; Gault, R. A.; Niedermayr, G.; Grice, J. D. Taseqite, a new member of the eudialyte group from the Ilimaussaq alkaline complex, South Greenland Locality: Ilimaussaq alkaline complex, South Greenland Note: water and OHs located at O20 and O21 Neues Jahrbuch fur Mineralogie, Monatshefte, 2004, 2004, 83-96 |
| 9012112 | CIF | Cr Cu S2 | R 3 m :H | 3.4728; 3.4728; 18.616 90; 90; 120 | 194.436 | Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B. Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K Journal of Solid State Chemistry, 1973, 6, 574-582 |
| 9012113 | CIF | Cr Cu S2 | R 3 m :H | 3.4812; 3.4812; 18.697 90; 90; 120 | 196.228 | Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B. Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K Journal of Solid State Chemistry, 1973, 6, 574-582 |
| 9012114 | CIF | Ag Cr S2 | R 3 m :H | 3.4884; 3.4884; 20.414 90; 90; 120 | 215.135 | Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B. Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K Journal of Solid State Chemistry, 1973, 6, 574-582 |
| 9012115 | CIF | Ag Cr S2 | R 3 m :H | 3.4974; 3.4974; 20.481 90; 90; 120 | 216.956 | Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B. Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K Journal of Solid State Chemistry, 1973, 6, 574-582 |
| 9012116 | CIF | Ag Cr Se2 | R 3 m :H | 3.6898; 3.6898; 21.024 90; 90; 120 | 247.886 | Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B. Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K Journal of Solid State Chemistry, 1973, 6, 574-582 |
| 9012117 | CIF | Ag Cr Se2 | R 3 m :H | 3.6809; 3.6809; 21.21 90; 90; 120 | 248.874 | Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B. Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K Journal of Solid State Chemistry, 1973, 6, 574-582 |
| 9012133 | CIF | Cr D O2 | R 3 m :H | 2.985; 2.985; 13.48 90; 90; 120 | 104.018 | Christensen, A. N.; Hansen, P.; Lehmann, M. S. Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Locality: synthetic Journal of Solid State Chemistry, 1977, 21, 325-329 |
| 9012135 | CIF | Cr H O2 | R 3 m :H | 2.979; 2.979; 13.37 90; 90; 120 | 102.755 | Christensen, A. N.; Hansen, P.; Lehmann, M. S. Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Sample: T = 300 K Journal of Solid State Chemistry, 1977, 21, 325-329 |
| 9012186 | CIF | Fe3 O7 P | R 3 m :H | 8.006; 8.006; 6.863 90; 90; 120 | 380.957 | Modaressi, A.; Courtois, A.; Gerardin, R.; Malaman, B.; Gleitzer, C. Fe3PO7, un cas de coordinence 5 du fer trivalent, etude structurale et magnetique Locality: synthetic Journal of Solid State Chemistry, 1983, 47, 245-255 |
| 9012192 | CIF | S2 W | R 3 m :H | 3.158; 3.158; 18.49 90; 90; 120 | 159.695 | Schutte, W. J.; de Boer, J. L.; Jellinek, F. Crystal structures of tungsten disulfide and diselenide Sample: 3R polytype Journal of Solid State Chemistry, 1987, 70, 207-209 |
| 9012658 | CIF | Ca3.3 Ce0.33 Cl0.74 Fe2.1 H18.453 K0.3 La0.132 Mn1.398 Na9.627 Nb0.1 Nd0.036 O79.661 Si24.3 Sr0.504 Ti0.1 Zr3.4 | R 3 m :H | 14.167; 14.167; 30.081 90; 90; 120 | 5228.52 | Rastsvetaeva, R. K.; Chukanov, N. V. Ikranite: composition and structure of a new mineral of the eudialyte group Crystallography Reports, 2003, 48, 717-720 |
| 9012663 | CIF | C H6.82 Al0.08 Ca9.348 Ce0.102 Cl0.29 Fe2.19 K0.6 Mn0.3 Na10.44 Nb0.57 O78.53 Si24.66 Zr3 | R 3 m :H | 14.231; 14.231; 29.984 90; 90; 120 | 5258.85 | Rozenberg, K. A.; Rastsvetaeva, R. K.; Chukanov, N. V.; Verin, I. A. Crystal structure of golyshevite Crystallography Reports, 2005, 50, 539-543 |
| 9012669 | CIF | Al7.08 B3 Ca0.62 F0.84 Fe0.66 H2.28 Li0.99 Mg0.24 Na0.32 O30.15 Si6 Ti0.03 | R 3 m :H | 15.894; 15.894; 7.115 90; 90; 120 | 1556.58 | Rozhdestvenskaya, I. V.; Bronzova, Y. M.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Kuznetsova, L. G.; Bannova, I. I. Refinement of the crystal structure of calcium-lithium-aluminum tourmaline from the pegmatite vein in the Sangilen Upland (Tuva Republic) Locality: Sangilen Upland, Tuva Republic Crystallography Reports, 2008, 53, 223-227 |
| 9012747 | CIF | Ba0.033 Ca6.333 Ce0.468 Cl1.6 Fe2.55 H7.38 K0.249 Mn1.188 Na12 Nb0.8 O81.18 Si25.2 Sr0.717 Ti0.06 Y0.132 Zr3.27 | R 3 m :H | 14.262; 14.262; 29.949 90; 90; 120 | 5275.62 | Ekimenkova, I. A.; Rastsvetaeva, R. K.; Khomyakov, A. P. Crystal structure of the Fe,Cl-analogue of kentbrooksite Doklady Chemistry, 2000, 370, 17-20 |
| 9012749 | CIF | Ca3.3 Ce0.498 Cl0.26 Fe2.1 H14.43 K0.3 Mn1.398 Na9.63 Nb0.1 O79.16 Si24.3 Sr0.504 Ti0.1 Zr3.399 | R 3 m :H | 14.167; 14.167; 30.081 90; 90; 120 | 5228.52 | Ekimenkova, I. A.; Rastsvetaeva, R. K.; Chukanov, N. V.; Khasanov, S. S. Crystal structure of an oxonium-containing analogue of eudialyte Doklady Chemistry, 2000, 371, 65-69 |
| 9012858 | CIF | Bi2 Te3 | R 3 m :H | 4.417; 4.417; 29.84 90; 90; 120 | 504.178 | Atabaeva, E. Y.; Ickevich, E. S.; Mashkov, S. A.; Popova, S. V.; Vereshchagin, L. F. The polymorphism of bismuth telluride under high pressures and temperatures Fizika Tverdogo Tela, 1968, 10, 62-65 |
| 9013193 | CIF | Al5.28 B3 Ca0.29 F0.08 Fe1.449 H3.54 K0.01 Mg2.241 Mn0.021 Na0.64 O30.92 Si6 Ti0.009 | R 3 m :H | 15.9875; 15.9875; 7.2372 90; 90; 120 | 1602 | Bosi, F. Disordering of Fe2+ over octahedrally coordinated sites of tourmaline American Mineralogist, 2008, 93, 1647-1653 |
| 9013385 | CIF | Al8.001 B3.39 Ca0.09 Fe0.009 H6.6 Li0.9 Mn0.09 Na0.53 O31 Si5.61 | R 3 m :H | 15.777; 15.777; 7.086 90; 90; 120 | 1527.5 | Ertl, A.; Tillmanns, E.; Ntaflos, T.; Francis, C.; Giester, G.; Korner, W.; Hughes, J. M.; Lengauer, C.; Prem, M. Tetrahedrally coordinated boron in Al-rich tourmaline and its relationship to the pressure-temperature conditions of formation Note: O5 and O6 z-coordinates changed to match reported bond lengths European Journal of Mineralogy, 2008, 20, 881-888 |
| 9013410 | CIF | S5 Zn5 | R 3 m :H | 3.83; 3.83; 46.87999 90; 90; 120 | 595.547 | Frondel, C.; Palache, C. Three new polymorphs of zinc sulfide Science, 1948, 107, 602-602 |
| 9013696 | CIF | H40 K1.56 Na4.32 O68 Si9 Ti12 | R 3 m :H | 10.921; 10.921; 13.885 90; 90; 120 | 1434.17 | Yakovenchuk, V. N.; Nikolaev, A. P.; Selivanova, E. A.; Pakhomovsky, Y. A.; Korchak, J. A.; Spiridonova, D. V.; Zalkind, O. A.; Krivovichev, S. V. Ivanyukite-Na-T, ivanyukite-Na-C, ivanyukite-K, and ivanyukite-Cu: New microporous titanosilicates from the Khibiny massif (Kola Peninsula, Russia) and crystal structure of ivanyukite-Na-T American Mineralogist, 2009, 94, 1450-1458 |
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