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 |
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