Search results

Formula: - C10 H14 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: R 3 c :H
Cell volume: 4614.43
Cell parameters: 23.5657; 23.5657; 9.5946; 90; 90; 120;

COD ID: 1509133
CIF file	Formula: - C18 H33 F6 O P - Comments: Gunbas, Gorkem; Hafezi, Nema; Sheppard, William L; Olmstead, Marilyn M; Stoyanova, Irini V; Tham, Fook S; Meyer, Matthew P; Mascal, Mark Extreme oxatriquinanes and a record C-O bond length. Nature chemistry 4(12) (2012) 1018-1023 Space group: R 3 c :H Cell volume: 2968.9 Cell parameters: 10.2958; 10.2958; 32.34; 90; 90; 120;

COD ID: 1509751
CIF file	Formula: - Ag2.913 As S3 - Comments: Pawlowski, A.; Gagor, A.; Pietraszko, A. Silver transfer in proustite Ag3 As S3 at high temperatures: Conductivity and single-crystal X-ray studies Journal of Solid State Chemistry 182 (2009) 451-456 Space group: R 3 c :H Cell volume: 903.696 Cell parameters: 10.913; 10.913; 8.762; 90; 90; 120;

COD ID: 1510618
CIF file	Formula: - B2 Ba O6 Zr - Comments: Gravereau, P.; Lebraud, E.; Hornebecq, V.; Chaminade, J.P. Ba Zr (B O3)2: a non-centrosymmetric dolomite-type superstructure Materials Research Bulletin 37 (2002) 2165-2178 Space group: R 3 c :H Cell volume: 784.104 Cell parameters: 5.167; 5.167; 33.913; 90; 90; 120;

COD ID: 1511246
CIF file	Formula: - B N2 Pr - Comments: Klesnar, H.; Rogl, P. The crystal structure of Pr B N2 and isotypic compounds RE B N2 (RE= Nd, Sm, Gd) Journal of Solid State Chemistry 98 (1992) 99-104 Space group: R 3 c :H Cell volume: 891.279 Cell parameters: 12.1144; 12.1144; 7.0126; 90; 90; 120;

COD ID: 1511659

Formula: - B7 Cl Fe1.43 Mg1.55 Mn0.021 O13 -
Comments: Schindler, M.; Hawthorne, F.C. The crystal structure of trembathite, (Mg1.55 Fe1.43 Mn0.02) B7 O13 Cl, a mineral of the boracite group: an example of the insertion of a cluster into a three-dimensional net Canadian Mineralogist 36 (1998) 1195-1201
Space group: R 3 c :H
Cell volume: 1344.52
Cell parameters: 8.588; 8.588; 21.05; 90; 90; 120;

COD ID: 1511663
CIF file	Formula: - B7 Co3 F O13 - Comments: Yvon, K.; Depmeier, W.; Schmid, H.; Boutellier, R.; Berset, G. Single Crystal X-ray Study of Rhombohedral Cobalt - Fluorine - OH -Boracite Ferroelectrics 56 (1984) 13-16 Space group: R 3 c :H Cell volume: 1331.11 Cell parameters: 8.5309; 8.5309; 21.12; 90; 90; 120;

COD ID: 1511674
CIF file	Formula: - B7 Fe3 I O13 - Comments: Kubel, F. Powder diffraction refinement of cubic and rhombohedral iron iodine boracite, Fe3 B7 O13 I Ferroelectrics 160 (1994) 61-65 Space group: R 3 c :H Cell volume: 1372.47 Cell parameters: 8.64534; 8.64534; 21.20349; 90; 90; 120;

COD ID: 1511702
CIF file	Formula: - B9 Ba Li O15 - Comments: Nowogrocki, G.; Touboul, M.; Seguin, L.; Penin, N. Synthesis and crystal structure of three M M' B9 O15 borates (M= Ba, Sr and M'= Li; M= Ba and M'= Na) International Journal of Inorganic Materials 3 (2001) 1015-1023 Space group: R 3 c :H Cell volume: 1799.8 Cell parameters: 11.0223; 11.0223; 17.106; 90; 90; 120;

COD ID: 1511704
CIF file	Formula: - B9 Ba Na O15 - Comments: Nowogrocki, G.; Penin, N.; Touboul, M.; Seguin, L. Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na) International Journal of Inorganic Materials 3 (2001) 1015-1023 Space group: R 3 c :H Cell volume: 1853.54 Cell parameters: 11.0933; 11.0933; 17.392; 90; 90; 120;

COD ID: 1511710
CIF file	Formula: - B9 Li O15 Sr - Comments: Nowogrocki, G.; Seguin, L.; Touboul, M.; Penin, N. Synthesis and crystal structure of three M M' B9 O15 borates (M = Ba, Sr and M' = Li; M = Ba and M' = Na) International Journal of Inorganic Materials 3 (2001) 1015-1023 Space group: R 3 c :H Cell volume: 1712.38 Cell parameters: 10.6129; 10.6129; 17.555; 90; 90; 120;

COD ID: 1515630

Formula: - C30 H21 Cl3 -
Comments: Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes Chemical Science 2(9) (2011) 1850
Space group: R 3 c :H
Cell volume: 3641
Cell parameters: 24.8014; 24.8014; 6.835; 90; 90; 120;

COD ID: 1515908

Formula: - C12 H30 Cl2 Co N4 O4 -
Comments: Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science 5(9) (2014) 3418
Space group: R 3 c :H
Cell volume: 2811
Cell parameters: 9.891; 9.891; 33.183; 90; 90; 120;

COD ID: 1515910

Formula: - C12 H30 Cl2 N4 O4 Zn -
Comments: Ruamps, Renaud; Batchelor, Luke J.; Guillot, Régis; Zakhia, Georges; Barra, Anne-Laure; Wernsdorfer, W.; Guihéry, Nathalie; Mallah, Talal Ising-type magnetic anisotropy and single molecule magnet behaviour in mononuclear trigonal bipyramidal Co(ii) complexes Chemical Science 5(9) (2014) 3418
Space group: R 3 c :H
Cell volume: 2818.01
Cell parameters: 9.9025; 9.9025; 33.1835; 90; 90; 120;

COD ID: 1516019

Formula: - B9 Ba Li O15 -
Comments: Reshak, A. H.; Chen, Xuean; Auluck, S.; Kamarudin, H.; Chyský, Jan; Wojciechowski, A.; Kityk, I. V. Linear and nonlinear optical susceptibilities and the hyperpolarizability of borate LiBaB9O15 single-crystal: theory and experiment. The journal of physical chemistry. B 117(45) (2013) 14141-14150
Space group: R 3 c :H
Cell volume: 1777.8
Cell parameters: 10.973; 10.973; 17.049; 90; 90; 120;

COD ID: 1517011
CIF file	Formula: - C21 H51 N6 O84 Tm3 W12 - Comments: Dan-Dan Liu; Ya-Guang Chen Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property Inorganica Chimica Acta 401 (2013) 70-75 Space group: R 3 c :H Cell volume: 12319.6 Cell parameters: 16.6502; 16.6502; 51.313; 90; 90; 120;

COD ID: 1517012
CIF file	Formula: - C21 H51 N6 O87 W12 Yb3 - Comments: Dan-Dan Liu; Ya-Guang Chen Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property Inorganica Chimica Acta 401 (2013) 70-75 Space group: R 3 c :H Cell volume: 12335.7 Cell parameters: 16.6606; 16.6606; 51.316; 90; 90; 120;

COD ID: 1517013
CIF file	Formula: - C21 H21 Lu3 N6 O80 W12 - Comments: Dan-Dan Liu; Ya-Guang Chen Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property Inorganica Chimica Acta 401 (2013) 70-75 Space group: R 3 c :H Cell volume: 12255.2 Cell parameters: 16.6308; 16.6308; 51.164; 90; 90; 120;

COD ID: 1517238
CIF file	Formula: - Ca3 O8 P2 - Comments: Kamiyama, T.; Hoshikawa, A.; Yashima, M.; Sakai, A. Crystal structure analysis of beta-tricalcium phosphate Ca3(PO4)2 by neutron powder diffraction Journal of Solid State Chemistry 175 (2003) 272-277 Space group: R 3 c :H Cell volume: 3527.26 Cell parameters: 10.4352; 10.4352; 37.4029; 90; 90; 120;

COD ID: 1519391
CIF file	Formula: - C18 H54 Cl N3 Si6 Th - Comments: Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci. 6(7) (2015) 3891 Space group: R 3 c :H Cell volume: 4953.5 Cell parameters: 18.4298; 18.4298; 16.84; 90; 90; 120;

COD ID: 1519393
CIF file	Formula: - C18 H54 I N3 Si6 Th - Comments: Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci. 6(7) (2015) 3891 Space group: R 3 c :H Cell volume: 5049 Cell parameters: 18.328; 18.328; 17.356; 90; 90; 120;

COD ID: 1520814
CIF file	Formula: - Ca9 Co Li O28 P7 - Comments: Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I. Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K) phosphates Materials Research Bulletin 34 (1999) 883-893 Space group: R 3 c :H Cell volume: 3426.92 Cell parameters: 10.3276; 10.3276; 37.1; 90; 90; 120;

COD ID: 1520816
CIF file	Formula: - Ca9 Co Na O28 P7 - Comments: Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I. Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K) phosphates Materials Research Bulletin 34 (1999) 883-893 Space group: R 3 c :H Cell volume: 3440.29 Cell parameters: 10.3515; 10.3515; 37.073; 90; 90; 120;

COD ID: 1520817
CIF file	Formula: - Ca9 Co K O28 P7 - Comments: Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I. Crystal structures of new triple Ca9 Co M (P O4)7 (M = Li, Na, K) phosphates Materials Research Bulletin 34 (1999) 883-893 Space group: R 3 c :H Cell volume: 3467.74 Cell parameters: 10.4017; 10.4017; 37.009; 90; 90; 120;

COD ID: 1521772
CIF file	Formula: - Li Nb O3 - Comments: Postnikov, A.V.; Caciuc, V.; Borstel, G. Structure optimization and frozen phonons in Li Nb O3 Journal of Physics and Chemistry of Solids 61 (2000) 295-299 Space group: R 3 c :H Cell volume: 308.587 Cell parameters: 5.1378; 5.1378; 13.4987; 90; 90; 120;

COD ID: 1525622
CIF file	Formula: - O3 Pb0.94 Sr0.06 Ti0.4 Zr0.6 - Comments: Bedoya, C.; Roubin, M.; Muller, C.; Baudour, J.L.; Anne, M.; Madigou, V. Sr-doped Pb Zr1-x Tix O3 ceramic: structural study and fieldinduced reorientation of ferroelectric domains Materials Science and Engineering B 75 (2000) 43-52 Space group: R 3 c :H Cell volume: 406.664 Cell parameters: 5.755; 5.755; 14.178; 90; 90; 120;

COD ID: 1525634
CIF file	Formula: - Ca9 O28 Tb V7 - Comments: Belik, A.A.; Kotov, R.N.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I. Crystal structures of double vanadates Ca9 R (V O4)7. II. R= Tb, Dy, Ho, Y Kristallografiya 45 (2000) 432-437 Space group: R 3 c :H Cell volume: 3884.27 Cell parameters: 10.8592; 10.8592; 38.035; 90; 90; 120;

COD ID: 1525635
CIF file	Formula: - Ca9 Dy O28 V7 - Comments: Belik, A.A.; Morozov, V.A.; Lazoryak, B.I.; Khasanov, S.S.; Kotov, R.N. Crystal structures of double vanadates Ca9 R (V O4)7. II. R= Tb, Dy, Ho, Y Kristallografiya 45 (2000) 432-437 Space group: R 3 c :H Cell volume: 3879.62 Cell parameters: 10.8564; 10.8564; 38.009; 90; 90; 120;

COD ID: 1525636
CIF file	Formula: - Ca9 Ho O28 V7 - Comments: Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Kotov, R.N.; Lazoryak, B.I. Crystal structures of double vanadates Ca9 R (V O4)7. II. R= Tb, Dy, Ho, Y Kristallografiya 45 (2000) 432-437 Space group: R 3 c :H Cell volume: 3878.26 Cell parameters: 10.8565; 10.8565; 37.995; 90; 90; 120;

COD ID: 1525637
CIF file	Formula: - Ca9 O28 V7 Y - Comments: Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Kotov, R.N.; Lazoryak, B.I. Crystal structures of double vanadates Ca9 R (V O4)7. II. R= Tb, Dy, Ho, Y Kristallografiya 45 (2000) 432-437 Space group: R 3 c :H Cell volume: 3879.9 Cell parameters: 10.8588; 10.8588; 37.995; 90; 90; 120;

COD ID: 1525638
CIF file	Formula: - Ca9 Nd O28 V7 - Comments: Belik, A.A.; Morozov, V.A.; Grechkin, S.V.; Khasanov, S.S.; Lazoryak, B.I. Crystal structures of double vanadates Ca9 R (V O4)7. III. R= Nd, Sm, Gd or Ce Kristallografiya 45 (2000) 798-803 Space group: R 3 c :H Cell volume: 3902.24 Cell parameters: 10.872; 10.872; 38.121; 90; 90; 120;

COD ID: 1525639
CIF file	Formula: - Ca9 O28 Sm V7 - Comments: Belik, A.A.; Morozov, V.A.; Khasanov, S.S.; Grechkin, S.V.; Lazoryak, B.I. Crystal structures of double vanadates Ca9 R (V O4)7. III. R= Nd, Sm, Gd or Ce Kristallografiya 45 (2000) 798-803 Space group: R 3 c :H Cell volume: 3895.01 Cell parameters: 10.8652; 10.8652; 38.098; 90; 90; 120;

COD ID: 1525640
CIF file	Formula: - Ca9 Gd O28 V7 - Comments: Belik, A.A.; Lazoryak, B.I.; Morozov, V.A.; Khasanov, S.S.; Grechkin, S.V. Crystal structures of double vanadates Ca9 R (V O4)7. III. R= Nd, Sm, Gd or Ce Kristallografiya 45 (2000) 798-803 Space group: R 3 c :H Cell volume: 3890.84 Cell parameters: 10.8631; 10.8631; 38.072; 90; 90; 120;

COD ID: 1525641
CIF file	Formula: - Ca9.812 Ce0.414 O28 V7 - Comments: Belik, A.A.; Morozov, V.A.; Lazoryak, B.I.; Grechkin, S.V.; Khasanov, S.S. Crystal structures of double vanadates Ca9 R (V O4)7. III. R= Nd, Sm, Gd or Ce Kristallografiya 45 (2000) 798-803 Space group: R 3 c :H Cell volume: 3881.62 Cell parameters: 10.8552; 10.8552; 38.037; 90; 90; 120;

COD ID: 1525642
CIF file	Formula: - Ca9 Er O28 V7 - Comments: Belik, A.A.; Dmitrienko, L.O.; Grechkin, S.V.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I. Crystal structures of double vanadates Ca9 R (V O4)7. IV. R= Er, Tm, Yb and Lu Kristallografiya 45 (2000) 976-981 Space group: R 3 c :H Cell volume: 3874.61 Cell parameters: 10.8554; 10.8554; 37.967; 90; 90; 120;

COD ID: 1525643
CIF file	Formula: - Ca9 O28 Tm V7 - Comments: Belik, A.A.; Grechkin, S.V.; Dmitrienko, L.O.; Morozov, V.A.; Khasanov, S.S.; Lazoryak, B.I. Crystal structures of double vanadates Ca9 R (V O4)7. IV. R= Er, Tm, Yb and Lu Kristallografiya 45 (2000) 976-981 Space group: R 3 c :H Cell volume: 3872.59 Cell parameters: 10.855; 10.855; 37.95; 90; 90; 120;

COD ID: 1525644
CIF file	Formula: - Ca9 O28 V7 Yb - Comments: Belik, A.A.; Grechkin, S.V.; Lazoryak, B.I.; Dmitrienko, L.O.; Morozov, V.A.; Khasanov, S.S. Crystal structures of double vanadates Ca9 R (V O4)7. IV. R= Er, Tm, Yb and Lu Kristallografiya 45 (2000) 976-981 Space group: R 3 c :H Cell volume: 3870.94 Cell parameters: 10.8564; 10.8564; 37.924; 90; 90; 120;

COD ID: 1525645
CIF file	Formula: - Ca9 Lu O28 V7 - Comments: Belik, A.A.; Grechkin, S.V.; Dmitrienko, L.O.; Lazoryak, B.I.; Morozov, V.A.; Khasanov, S.S. Crystal structures of double vanadates Ca9 R (V O4)7. IV. R= Er, Tm, Yb and Lu Kristallografiya 45 (2000) 976-981 Space group: R 3 c :H Cell volume: 3866.59 Cell parameters: 10.8566; 10.8566; 37.88; 90; 90; 120;

COD ID: 1525672
CIF file	Formula: - Cs F3 Pb - Comments: Berastegui, P.; Eriksson, S.G.; Hull, S. A low-temperature structural phase transition in Cs Pb F3 Journal of Physics: Condensed Matter 13 (2001) 5077-5088 Space group: R 3 c :H Cell volume: 655.06 Cell parameters: 6.84993; 6.84993; 16.1205; 90; 90; 120;

COD ID: 1525910
CIF file	Formula: - O3 Pb Ti0.4 Zr0.6 - Comments: Dmowski, W.; Egami, T.; Farber, L.; Davies, P.K. Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary AIP Conference Proceedings 582 (2001) 33-44 Space group: R 3 c :H Cell volume: 408.642 Cell parameters: 5.756; 5.756; 14.242; 90; 90; 120;

COD ID: 1526053
CIF file	Formula: - Ca9.95 Li1.05 O28 P7 - Comments: Morozov, V.A.; Belik, V.A.; Lazoryak, B.I.; Presnyakov, I.A.; Khasanov, S.S.; Kotov, R.N. Crystal structure of calcium alkali metal phosphates Ca10 M (P O4)7 (M = Li, Na, K) Kristallografiya 45 (2000) 19-26 Space group: R 3 c :H Cell volume: 3515.93 Cell parameters: 10.4203; 10.4203; 37.3895; 90; 90; 120;

COD ID: 1526055
CIF file	Formula: - Ca10 Na O28 P7 - Comments: Morozov, V.A.; Kotov, R.N.; Belik, V.A.; Presnyakov, I.A.; Khasanov, S.S.; Lazoryak, B.I. Crystal structure of calcium alkali metal phosphates Ca10 M (P O4)7 (M = Li, Na, K) Kristallografiya 45 (2000) 19-26 Space group: R 3 c :H Cell volume: 3521.09 Cell parameters: 10.4391; 10.4391; 37.30959; 90; 90; 120;

COD ID: 1528077
CIF file	Formula: - Ca3 Cr2 O8 - Comments: Sinha, D.P.; Srivastava, B.C. A study of the structures of calcium chromate Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science 47 (1973) 746-748 Space group: R 3 c :H Cell volume: 3812.15 Cell parameters: 10.75; 10.75; 38.091; 90; 90; 120;

COD ID: 1528378
CIF file	Formula: - Bi Fe0.25 Ni0.375 O3 Ti0.375 - Comments: Bridges, C.A.; Kuang Xiaojun; Allix, M.; Suchomel, M.R.; Sterianou, I.; Sinclair, D.C.; Rosseinsky, M.J. A pure bismuth A site polar perovskite synthesized at ambient pressure Angew. Chem. Int. ed. 46 (2007) 8785-8789 Space group: R 3 c :H Cell volume: 373.168 Cell parameters: 5.58471; 5.58471; 13.8157; 90; 90; 120;

COD ID: 1528379
CIF file	Formula: - Bi Fe0.25 Mg0.375 O3 Ti0.375 - Comments: Bridges, C.A.; Allix, M.; Suchomel, M.R.; Sterianou, I.; Kuang Xiaojun; Sinclair, D.C.; Rosseinsky, M.J. A pure bismuth A site polar perovskite synthesized at ambient pressure Angew. Chem. Int. ed. 46 (2007) 8785-8789 Space group: R 3 c :H Cell volume: 378.879 Cell parameters: 5.60398; 5.60398; 13.93081; 90; 90; 120;

COD ID: 1528671
CIF file	Formula: - Ge3 Li8 Zn2 - Comments: Lacroix-Orio, L.; Tillard, M.; Belin, C. Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network Solid State Sciences 8 (2006) 208-215 Space group: R 3 c :H Cell volume: 1208.54 Cell parameters: 7.555; 7.555; 24.449; 90; 90; 120;

COD ID: 1528887
CIF file	Formula: - Hg O3 Ti - Comments: Sleight, A.W.; Prewitt, C.T. High pressure Hg Ti O3 and Hg Pb O3. Preparation, Chacterization, and Structure Journal of Solid State Chemistry 6 (1973) 509-512 Space group: R 3 c :H Cell volume: 340.765 Cell parameters: 5.3781; 5.3781; 13.604; 90; 90; 120;

COD ID: 1529028
CIF file	Formula: - C6 H11 In3 O19 - Comments: Yang, S.; Li, G.; Tian, S.; Liao, F.; Lin, J. An open-framework three-dimensional indium oxalate: [In (O H) (C2 O4) (H2 O)]3.H2 O Journal of Solid State Chemistry 178 (2005) 3703-3707 Space group: R 3 c :H Cell volume: 2400.25 Cell parameters: 18.668; 18.668; 7.953; 90; 90; 120;

COD ID: 1529464

Formula: - Ca0.5 O4 P Sr1.05 -
Comments: Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets The Journal of Physical Chemistry C 119 (2015) 2038-2045
Space group: R 3 c :H
Cell volume: 3842.54
Cell parameters: 10.66855; 10.66855; 38.9832; 90; 90; 120;

COD ID: 1529465

Formula: - Ca O4 P Sr0.43 -
Comments: Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets The Journal of Physical Chemistry C 119 (2015) 2038-2045
Space group: R 3 c :H
Cell volume: 3678.1
Cell parameters: 10.56198; 10.56198; 38.0712; 90; 90; 120;

COD ID: 1529466

Formula: - Ca11 O28 P7 -
Comments: Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets The Journal of Physical Chemistry C 119 (2015) 2038-2045
Space group: R 3 c :H
Cell volume: 3533.14
Cell parameters: 10.4414; 10.4414; 37.4208; 90; 90; 120;

COD ID: 1529478
CIF file	Formula: - C54 H88 Br2 N2 O6 - Comments: White, Nicholas G.; MacLachlan, Mark J. Anion-templated hexagonal nanotubes Chem. Sci. 6(11) (2015) 6245 Space group: R 3 c :H Cell volume: 24995 Cell parameters: 39.973; 39.973; 18.0631; 90; 90; 120;

COD ID: 1529479
CIF file	Formula: - C54 H88 Br2 N2 O6 - Comments: White, Nicholas G.; MacLachlan, Mark J. Anion-templated hexagonal nanotubes Chem. Sci. 6(11) (2015) 6245 Space group: R 3 c :H Cell volume: 24922 Cell parameters: 39.896; 39.896; 18.0796; 90; 90; 120;

COD ID: 1529487

Formula: - Bi2 Cs4 Mo6 Na2 O24 -
Comments: A.A. Savina; V.V. Atuchin; S.F. Solodovnikov; Z.A. Solodovnikova; A.S. Krylov; E.A. Maximovskiy; M.S. Molokeev; A.S. Oreshonkov; A.M. Pugachev; E.G. Khaikina Synthesis, structural and spectroscopic properties of acentric triple molybdate Cs2NaBi(MoO4)3 Journal of Solid State Chemistry 225 (2015) 53-58
Space group: R 3 c :H
Cell volume: 4026.21
Cell parameters: 10.652543; 10.652543; 40.96937; 90; 90; 120;

COD ID: 1529747
CIF file	Formula: - Li2 O3 Re - Comments: Cava, R.J.; Roth, R.S.; Santoro, A.; Zahurak, S.M.; Murphy, D.W. Structural aspects of lithium insertion in oxides: Lix Re O3 and Li2 Fe V3 O8 Solid State Ionics 5 (1981) 323-326 Space group: R 3 c :H Cell volume: 316.479 Cell parameters: 4.9711; 4.9711; 14.788; 90; 90; 120;

COD ID: 1530685
CIF file	Formula: - Cs3 O12 S3 Yb - Comments: Samartsev, B.G.; Pokrovskii, A.N.; Kovba, L.M. Structure of Cs3 Yb (S O4)3 Kristallografiya 25 (1980) 394-396 Space group: R 3 c :H Cell volume: 2112.04 Cell parameters: 16.03999; 16.03999; 9.479; 90; 90; 120;

COD ID: 1531116
CIF file	Formula: - Ca9 Li Mn O28 P7 - Comments: Belik, A.A.; Gutan, V.B.; Ivanov, L.N.; Lazoryak, B.I. Synthesis, structure and luminescence properties of Ca9 Mn M (P O4)7 (M = Li, Na, K) Zhurnal Neorganicheskoi Khimii 46 (2001) 885-892 Space group: R 3 c :H Cell volume: 3448.45 Cell parameters: 10.3554; 10.3554; 37.133; 90; 90; 120;

COD ID: 1531117
CIF file	Formula: - Ca9 Mn Na O28 P7 - Comments: Belik, A.A.; Gutan, V.B.; Ivanov, L.N.; Lazoryak, B.I. Synthesis, structure and luminescence properties of Ca9 Mn M (P O4)7 (M = Li, Na, K) Zhurnal Neorganicheskoi Khimii 46 (2001) 885-892 Space group: R 3 c :H Cell volume: 3457.42 Cell parameters: 10.3764; 10.3764; 37.079; 90; 90; 120;

COD ID: 1531118
CIF file	Formula: - Ca9 K Mn O28 P7 - Comments: Belik, A.A.; Lazoryak, B.I.; Gutan, V.B.; Ivanov, L.N. Synthesis, structure and luminescence properties of Ca9 Mn M (P O4)7 (M = Li, Na, K) Zhurnal Neorganicheskoi Khimii 46 (2001) 885-892 Space group: R 3 c :H Cell volume: 3478.55 Cell parameters: 10.4179; 10.4179; 37.009; 90; 90; 120;

COD ID: 1531376
CIF file	Formula: - Mn4 O9 Ta2 - Comments: Esmaeilzadeh, S.; Grins, J. Meta-stable phases in the Mn - Ta - O system Solid State Sciences 4 (2002) 117-123 Space group: R 3 c :H Cell volume: 360.64 Cell parameters: 5.4308; 5.4308; 14.1194; 90; 90; 120;

COD ID: 1531658
CIF file	Formula: - Bi0.14 Ca1.29 O4 V - Comments: Kim, M.S.; Lah, S.M.; Kim, H.K. Crystal structure of Ca1.29 Bi0.14 V O4 Bulletin of the Korean Chemical Society 23 (2002) 98-102 Space group: R 3 c :H Cell volume: 3885.56 Cell parameters: 10.857; 10.857; 38.063; 90; 90; 120;

COD ID: 1532012

Formula: - Ca2.3 Fe0.32 H6.6 La7.1 Mg0.23 O30.6 Si6.9 -
Comments: Pakhomovskii, Ya.A.; Men'shikov, Yu.P.; Yakovenchuk, V.N.; Ivanyuk, G.Yu.; Krivovichev, S.V.; Burns, P.C. Cerite-(La), (La, Ce, Ca)9 (Fe, Ca, Mg) (Si O4)3 (Si O3 (O H))4 (O H)3, a new mineral species from the Khibina alkaline massif: occurrence and crystal structure Canadian Mineralogist 40 (2002) 1177-1184
Space group: R 3 c :H
Cell volume: 3834.37
Cell parameters: 10.7493; 10.7493; 38.318; 90; 90; 120;

COD ID: 1532188

Formula: - Ga0.9 La0.95 Mg0.1 O2.91 Sr0.05 -
Comments: Vasylechko, L.; Berkowski, M.; Vashook, V.; Savytskii, D.; Senyshin, A.; Niewa, R.; Ullmann, H.; Knapp, M.; Matkovskii, A.; Bismayer, U. Crystal structure, thermal expansion and conductivity of anisotropic La1-x Srx Ga1-2x Mg2x O3-y (x = 0.05, 0.1) single crystals Journal of Solid State Chemistry 172 (2003) 396-411
Space group: R 3 c :H
Cell volume: 361.173
Cell parameters: 5.55628; 5.55628; 13.5088; 90; 90; 120;

COD ID: 1532359

Formula: - As3 Yb4 -
Comments: Staub, U.; Ochiai, A.; Patterson, B.D.; Fauth, F.; Vaughan, G.M.B.; Soderholm, L.; Schulze-Briese, C.; Cross, J.O.; Shi, M.; Dooryhee, E. Charge order and crystal structure below the first-order "metal-insulator" transition in Yb4 As3 Physik (Berlin) 318 (2002) 284-288
Space group: R 3 c :H
Cell volume: 1028.34
Cell parameters: 12.5591; 12.5591; 7.5282; 90; 90; 120;

COD ID: 1532913
CIF file	Formula: - Bi0.5 K0.1 Na0.4 O3 Ti - Comments: Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction 17 (2002) 301-319 Space group: R 3 c :H Cell volume: 353.314 Cell parameters: 5.496; 5.496; 13.5063; 90; 90; 120;

COD ID: 1532916
CIF file	Formula: - Bi0.5 K0.2 Na0.3 O3 Ti - Comments: Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction 17 (2002) 301-319 Space group: R 3 c :H Cell volume: 355.163 Cell parameters: 5.5047; 5.5047; 13.5341; 90; 90; 120;

COD ID: 1532919
CIF file	Formula: - Bi0.5 K0.25 Na0.25 O3 Ti - Comments: Jones, G.O.; Kreisel, J.; Thomas, P.A. A structural study of the (Na1-x Kx)0.5 Bi0.5 Ti O3 perovskite series as a function of substitution (x) and temperature Powder Diffraction 17 (2002) 301-319 Space group: R 3 c :H Cell volume: 358.099 Cell parameters: 5.5207; 5.5207; 13.567; 90; 90; 120;

COD ID: 1533823
CIF file	Formula: - Li0.94 Nb0.98 O3 Zn0.08 - Comments: Sulyanov, S.; Maximov, B.; Hansen, T.; Volk, T.; Boysen, H.; Schneider, J.; Rubinina, N. Neutron and X-ray study of stoichiometric and doped Li Nb O3 : Zn0.08 Appl. Phys. A 74 (2002) S1031-S1033 Space group: R 3 c :H Cell volume: 318.994 Cell parameters: 5.1534; 5.1534; 13.8696; 90; 90; 120;

COD ID: 1533942

Formula: - Cd0.5 K5 Mo6 O24 Zr1.5 -
Comments: Klevtsova, R.F.; Bazarov, B.G.; Glinskaya, L.A.; Bazarova, S.T.; Bazarova, Zh.G.; Klevtsov, P.V.; Fedorov, K.N. Synthesis and X-ray study of single crystals of K5 (Cd0.5 Zr1.5) (Mo O4)6 triple molybdate Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 43 (2002) 1016-1020
Space group: R 3 c :H
Cell volume: 3684.5
Cell parameters: 10.624; 10.624; 37.694; 90; 90; 120;

COD ID: 1534249

Formula: - B6 H3 Ho O12 -
Comments: Belokoneva, E.L.; Ivanova, A.G.; Stefanovich, S.Yu.; Dimitrova, O.V.; Kurazhkovskaya, V.S. New Ln (B6 O9 (O H)3) (Ln= Sm- Lu) borates: structure properties, and structural relation to cationic Li4 (B7 O12) Cl conductors (Li-boracites) Kristallografiya 49 (2004) 681-691
Space group: R 3 c :H
Cell volume: 1261.01
Cell parameters: 8.385; 8.385; 20.71; 90; 90; 120;

COD ID: 1534250

Formula: - B6 Gd H3 O12 -
Comments: Belokoneva, E.L.; Stefanovich, S.Yu.; Ivanova, A.G.; Dimitrova, O.V.; Kurazhkovskaya, V.S. New Ln (B6 O9 (O H)3) (Ln= Sm- Lu) borates: structure properties, and structural relation to cationic Li4 (B7 O12) Cl conductors (Li-boracites) Kristallografiya 49 (2004) 681-691
Space group: R 3 c :H
Cell volume: 1269.15
Cell parameters: 8.41; 8.41; 20.72; 90; 90; 120;

COD ID: 1534889
CIF file	Formula: - As7 Ca9.5 H Mg0.5 O28 - Comments: Baumgartner, O.; Pertlik, F. Die Kristallstruktur von Ca9 (Cax Mg1-x) (As O4)6 (As O3 O H) mit x= .5 Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 114 (1983) 259-265 Space group: R 3 c :H Cell volume: 3762.58 Cell parameters: 10.73; 10.73; 37.736; 90; 90; 120;

COD ID: 1535313

Formula: - Cu9 H63 K12.75 N12 Na4.5 O126 Si3 W24 -
Comments: Mialane, P.; Dolbecq, A.; Marrot, J.; Riviere, E.; Secheresse, F. A Nonanuclear Copper(II) Polyoxometalate Assembled Around a mu-1,1,1,3,3,3-Azido Ligand and Its Parent Tetranuclear Complex Chemistry - A European Journal 11 (2005) 1771-1778
Space group: R 3 c :H
Cell volume: 18614.8
Cell parameters: 18.374; 18.374; 63.6678; 90; 90; 120;

COD ID: 1535565
CIF file	Formula: - C6 Cd Cl2 Hg3 N6 S6 - Comments: Mosset, A.; Lecchi, A.; Bagieu-Beucher, M.; Masse, R.; Zaccaro, J. Crystal engineering strategy of thiocyanates for quadratic nonlinear optics. Hg3 Cd Cl2 (S C N)6 and Hg4 Cd Br4 (S C N)6 Solid State Sciences 4 (2002) 827-834 Space group: R 3 c :H Cell volume: 6517.08 Cell parameters: 11.2066; 11.2066; 59.9204; 90; 90; 120;

COD ID: 1535711
CIF file	Formula: - I4 In Rb - Comments: Burnus, R.; Meyer, G. Synthese und Kristallstrukturen der Alkali-Tetraiodoindate(III), AInI4 (A = Li, K, Rb, Cs) Zeitschrift fuer Anorganische und Allgemeine Chemie 602 (1991) 31-37 Space group: R 3 c :H Cell volume: 5097.88 Cell parameters: 24.526; 24.526; 9.786; 90; 90; 120;

COD ID: 1536243
CIF file	Formula: - H6 O12 Sc2 Se3 - Comments: Johnston, M.G.; Harrison, W.T.A. Syntheses and structures of three new scandium selenites: Sc2 (Se O3)3.H2 O, Sc2 (Se O3)3.3H2 O and Cs Se3 (Sc3 O3)4 (H Se O3)2.2H2 O Journal of Solid State Chemistry 177 (2004) 4316-4324 Space group: R 3 c :H Cell volume: 1675.43 Cell parameters: 9.6481; 9.6481; 20.7832; 90; 90; 120;

COD ID: 1536762

Formula: - K5 Mg0.5 Mo6 O24 Zr1.5 -
Comments: Klevtsova, R.F.; Bazarova, Zh.G.; Bazarov, B.G.; Glinskaya, L.A.; Alekseev, V.I.; Arkhincheeva, S.I.; Klevtsov, P.V.; Fedorov, K.N. Synthesis of triple molybdates of potassium, magnesium, zirconium and K5 (Mg0.5 Zr1.5) (Mo O4)6 structure Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 35 (1994) 11-15
Space group: R 3 c :H
Cell volume: 3633.56
Cell parameters: 10.576; 10.576; 37.511; 90; 90; 120;

COD ID: 1536765
CIF file	Formula: - K5 Mn0.5 Mo6 O24 Zr1.5 - Comments: Klevtsova, R.F.; Fedorov, K.N.; Glinskaya, L.A.; Bazarova, Zh.G.; Klevtsov, P.V.; Bazarov, B.G. Crystal structure study of K5 (Mn0.5 Zr1.5) (Mo O4)6 ternary molybdate Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 36 (1995) 895-899 Space group: R 3 c :H Cell volume: 3645.36 Cell parameters: 10.584; 10.584; 37.576; 90; 90; 120;

COD ID: 1536779
CIF file	Formula: - Ag3 As S3 - Comments: Engel, P.; Nowacki, W. Die Verfeinerung der Kristallstruktur von Proustit, Ag3 As S3 und Pyrargyrit, Ag3 Sb S3 Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1966 (1966) 181-184 Space group: R 3 c :H Cell volume: 881.059 Cell parameters: 10.82; 10.82; 8.69; 90; 90; 120;

COD ID: 1537256
CIF file	Formula: - F Li Nb O2 - Comments: Ruedorff, W.; Krug, D. Alkaliniob(IV)-dioxidfluoride Zeitschrift fuer Anorganische und Allgemeine Chemie 329 (1964) 211-217 Space group: R 3 c :H Cell volume: 317.038 Cell parameters: 5.144; 5.144; 13.835; 90; 90; 120;

COD ID: 1537330
CIF file	Formula: - Ga2 I4 - Comments: Gerlach, G.; Hoenle, W.; Simon, A. Eigenschaften und Strukturen reduzierter Galliumiodide: Ga2 I4 und Ga2 I3 Zeitschrift fuer Anorganische und Allgemeine Chemie 486 (1982) 7-21 Space group: R 3 c :H Cell volume: 4316.28 Cell parameters: 25.215; 25.215; 7.839; 90; 90; 120;

COD ID: 1537533

Formula: - Mg0.5 Mo6 O24 Tl5 Zr1.5 -
Comments: Klevtsova, R.F.; Bazarov, B.G.; Glinskaya, L.A.; Fedorov, K.N.; Bazarova, Ts.T.; Bazarova, Zh.G.; Klevtsov, P.V. Thallium magnum zirconium molybdate Tl5 Mg0.5 Zr1.5 (Mo O4)6: synthesis, crystal structure and properties Zhurnal Neorganicheskoi Khimii 48 (2003) 1547-1550
Space group: R 3 c :H
Cell volume: 3704.82
Cell parameters: 10.616; 10.616; 37.959; 90; 90; 120;

COD ID: 1538334

Formula: - Bi1.1 Ca5.9 O28 Sr3 V7 -
Comments: Malakho, A.P.; Kobyletskii, K.K.; Baryshnikova, O.V.; Morozov, V.A.; Lazoryak, B.I.; Stefanovich, S.Yu. Solid solutions in the Ca9 Bi (V O4)7 - Sr9 Bi (V O4)7 system: the structure, ferroelectric properties and nonlinear-optical properties Zhurnal Neorganicheskoi Khimii 48 (2003) 1851-1864
Space group: R 3 c :H
Cell volume: 4058.06
Cell parameters: 11.0118; 11.0118; 38.643; 90; 90; 120;

COD ID: 1538335

Formula: - Bi Ca4 O28 Sr5 V7 -
Comments: Malakho, A.P.; Kobyletskii, K.K.; Baryshnikova, O.V.; Morozov, V.A.; Stefanovich, S.Yu.; Lazoryak, B.I. Solid solutions in the Ca9 Bi (V O4)7 - Sr9 Bi (V O4)7 system: the structure, ferroelectric properties and nonlinear-optical properties Zhurnal Neorganicheskoi Khimii 48 (2003) 1851-1864
Space group: R 3 c :H
Cell volume: 4046.65
Cell parameters: 11.0776; 11.0776; 38.078; 90; 90; 120;

COD ID: 1538337
CIF file	Formula: - Bi Ca8.5 O28 V7 Zn0.5 - Comments: Malakho, A.P.; Vorontsova, O.L.; Lazoryak, B.I.; Morozov, V.A.; Stefanovich, S.Yu. Ferroelectric and nonlinear properties of Ca9-x Znx Bi (V O4)7 vanadates Zhurnal Neorganicheskoi Khimii 49 (2004) 165-173 Space group: R 3 c :H Cell volume: 3873.2 Cell parameters: 10.859; 10.859; 37.928; 90; 90; 120;

COD ID: 1538339
CIF file	Formula: - Bi Ca8 O28 V7 Zn - Comments: Malakho, A.P.; Lazoryak, B.I.; Vorontsova, O.L.; Morozov, V.A.; Stefanovich, S.Yu. Ferroelectric and nonlinear properties of Ca9-x Znx Bi (V O4)7 vanadates Zhurnal Neorganicheskoi Khimii 49 (2004) 165-173 Space group: R 3 c :H Cell volume: 3857.08 Cell parameters: 10.8451; 10.8451; 37.867; 90; 90; 120;

COD ID: 1538758
CIF file	Formula: - H12 Li Mo2 Na3 O14 - Comments: Klevtsova, R.F.; Glinskaya, L.A.; Klevtsov, P.V. Crystal structure of sodium lithium molybdate hexahydrate Na3 Li (Mo O4)2 (H2 O)6 Kristallografiya 33 (1988) 636-641 Space group: R 3 c :H Cell volume: 2058.71 Cell parameters: 8.733; 8.733; 31.17; 90; 90; 120;

COD ID: 1539116

Formula: - Hf1.667 Li0.333 Mo6 O24 Rb5 -
Comments: Solodovnikov, S.F.; Balsanova, N.V.; Bazarova, Zh.G.; Bazarov, B.G.; Zolotova, E.S. Phase formation in the Rb2 Mo O4 - Li2 Mo O4 - Hf (Mo O4)2 system and the crystal structure of Rb5 (Li1/3 Hf5/3) (Mo O4)6 Zhurnal Neorganicheskoi Khimii 48 (2003) 1197-1201
Space group: R 3 c :H
Cell volume: 3762.64
Cell parameters: 10.659; 10.659; 38.241; 90; 90; 120;

COD ID: 1539299

Formula: - Mn4 Nb2 O9 -
Comments: Tarakina, N.V.; Tyutyunnik, A.P.; Zubkov, V.G.; D'yachkova, T.V.; Zainulin, Yu.G.; Sayagues, M.; Swensson, G. New phases in the Mn O - Nb (Ta)2 O5 system prepared by high-pressure high-temperature technique Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 44 (2003) 286-289
Space group: R 3 c :H
Cell volume: 349.819
Cell parameters: 5.34139; 5.34139; 14.15807; 90; 90; 120;

COD ID: 1539925
CIF file	Formula: - Bi1.29 Ca7.92 Cd0.79 O28 V7 - Comments: Vorontsova, O.L.; Lazoryak, B.I.; Malakho, A.P.; Morozov, V.A.; Stefanovich, S.Yu. Ferroelectric and nonlinear properties of Ca9-x Cdx Bi (V O4)7 vanadates Zhurnal Neorganicheskoi Khimii 49 (2004) 1932-1942 Space group: R 3 c :H Cell volume: 3893.99 Cell parameters: 10.8871; 10.8871; 37.935; 90; 90; 120;

COD ID: 1541158
CIF file	Formula: - Ga2 H6 O12 Se3 - Comments: Rastsvetaeva, R.K.; Volodina, A.N.; Andrianov, V.I. Crystal sructure of Ga2 (Se O3)3 (H2 O)3 Doklady Akademii Nauk SSSR 291 (1986) 352-356 Space group: R 3 c :H Cell volume: 1469 Cell parameters: 9.223; 9.223; 19.941; 90; 90; 120;

COD ID: 1541772

Formula: - C3 H9 B3 Cl9 N3 Si3 -
Comments: Jaeschke, T.; Jansen, M. Synthesis, crystal structure and spectroscopic characterization of the borazine derivatives (B (C H2 (Si Cl3)) N H)3 and (B (C H2 (Si Cl2 C H3)) N H)3 Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 239-243
Space group: R 3 c :H
Cell volume: 3124.85
Cell parameters: 17.1253; 17.1253; 12.3033; 90; 90; 120;

COD ID: 1541773

Formula: - C6 H18 B3 Cl6 N3 Si3 -
Comments: Jaeschke, T.; Jansen, M. Synthesis, crystal structure and spectroscopic characterization of the borazine derivatives (B (C H2 (Si Cl3)) N H)3 and (B (C H2 (Si Cl2 C H3)) N H)3 Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 239-243
Space group: R 3 c :H
Cell volume: 3201.65
Cell parameters: 17.138; 17.138; 12.587; 90; 90; 120;

COD ID: 1541936
CIF file	Formula: - Li Nb O3 - Comments: Abrahams, S.C.; Hamilton, W.C.; Reddy, J.M. Ferroelectric lithium niobate. 4. Single crystal neutron diffraction study at 24 C Journal of Physics and Chemistry of Solids 27 (1966) 1013-1018 Space group: R 3 c :H Cell volume: 318.212 Cell parameters: 5.14829; 5.14829; 13.8631; 90; 90; 120;

COD ID: 1541937
CIF file	Formula: - Li Nb O3 - Comments: Abrahams, S.C.; Reddy, J.M.; Levinstein, H.J. Ferroelectric lithium niobate. 5. Polycrystal X-ray diffraction study between 24 and 1200 C Journal of Physics and Chemistry of Solids 27 (1966) 1019-1026 Space group: R 3 c :H Cell volume: 322.927 Cell parameters: 5.185; 5.185; 13.87; 90; 90; 120;

COD ID: 1544665
CIF file	Formula: - Li Nb O3 - Comments: Ohgaki, M.; Tanaka, K.; Marumo, F. LiNbO3, with anharmonic thermal vibration model Mineralogical Journal 16 (1992) 150-160 Space group: R 3 c :H Cell volume: 318.499 Cell parameters: 5.1502; 5.1502; 13.8653; 90; 90; 120;

COD ID: 1544717
CIF file	Formula: - Li O3 Ta - Comments: Ohgaki, M.; Tanaka, K.; Marumo, F. Anharmonic thermal vibration in a crystal of lithium(I) tantalum(V) trioxide, LiTaO3 Mineralogical Journal 14 (1989) 373-382 Space group: R 3 c :H Cell volume: 316.933 Cell parameters: 5.15329; 5.15329; 13.7806; 90; 90; 120;

COD ID: 1545196
CIF file	Formula: - C114 H198 N42 O69 Pt6 - Comments: Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts Nature Chemistry 1(1) (2009) 53 Space group: R 3 c :H Cell volume: 25034 Cell parameters: 32.247; 32.247; 27.798; 90; 90; 120;

COD ID: 1545918
CIF file	Formula: - Bi0.5 Na0.5 O9 Ti - Comments: Mahmood, Natheer B.; Al-Shakarchi, Emad K. Simulation and Experimental data of P-E Hysteresis Loop in BNT and BKT Journal of Modern Physics 8(5) (2017) 844-851 Space group: R 3 c :H Cell volume: 349.429 Cell parameters: 5.49; 5.49; 13.387; 90; 90; 120;

COD ID: 1546942

Formula: - C106.943 H73.411 F7.411 N12 O14.4717 Ru3 -
Comments: Kunz, Valentin; Lindner, Joachim O.; Schulze, Marcus; Röhr, Merle I. S.; Schmidt, David; Mitrić, Roland; Würthner, Frank Cooperative water oxidation catalysis in a series of trinuclear metallosupramolecular ruthenium macrocycles Energy Environ. Sci. (2017)
Space group: R 3 c :H
Cell volume: 18244
Cell parameters: 26.1798; 26.1798; 30.736; 90; 90; 120;

COD ID: 1549450

Formula: - C12 H24 Co N7 O9 -
Comments: Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M. A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex. Chemical science 9(22) (2018) 4950-4958
Space group: R 3 c :H
Cell volume: 9893.5
Cell parameters: 19.835; 19.835; 29.0373; 90; 90; 120;

COD ID: 1549668
CIF file	Formula: - C64 H48 Br2 N2 Ni - Comments: Fang, Jun; Sui, Xuelin; Li, Yougui; Chen, Changle Synthesis of polyolefin elastomers from unsymmetrical α-diimine nickel catalyzed olefin polymerization Polymer Chemistry 9(30) (2018) 4143 Space group: R 3 c :H Cell volume: 25746 Cell parameters: 33.739; 33.739; 26.116; 90; 90; 120;

COD ID: 1550650
CIF file	Formula: - Ge Na2 S4 Sr - Comments: Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials Chemical Science (2019) Space group: R 3 c :H Cell volume: 3334 Cell parameters: 23.5427; 23.5427; 6.9458; 90; 90; 120;

COD ID: 1550652
CIF file	Formula: - Na2 S4 Sn Sr - Comments: Wu, Kui; Chu, Yu; Yang, Zhihua; Pan, Shilie Concurrently wide bandgaps and good nonlinear optical responses in A2SrMIVS4 (A = Li, Na; MIV = Ge, Sn) as new potential infrared nonlinear optical materials Chemical Science (2019) Space group: R 3 c :H Cell volume: 3501.4 Cell parameters: 23.838; 23.838; 7.115; 90; 90; 120;

COD ID: 1551290
CIF file	Formula: - C15 H28 B F N2 O2 - Comments: Kuehn, Laura; Stang, Martin; Würtemberger-Pietsch, Sabrina; Friedrich, Alexandra; Schneider, Heidi; Radius, Udo; Marder, Todd B. FBpin and its Adducts and their Role in Catalytic Borylations Faraday Discussions (2019) Space group: R 3 c :H Cell volume: 7562 Cell parameters: 24.782; 24.782; 14.217; 90; 90; 120;

COD ID: 1553545
CIF file	Formula: - C25 H21 N O2 S - Comments: Gong, Xinxing; Li, Guangming; Wu, Jie Synthesis of polycyclic sultams via a palladium-catalyzed reaction of 1-bromo-2-(cyclopropylidenemethyl)benzenes with 2-alkynylbenzenesulfonamides Organic Chemistry Frontiers 4(1) (2017) 14 Space group: R 3 c :H Cell volume: 10970 Cell parameters: 33.922; 33.922; 11.008; 90; 90; 120;

COD ID: 1554645

Formula: - C18 H21 N O2 S -
Comments: Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging Materials Chemistry Frontiers 3(7) (2019) 1391
Space group: R 3 c :H
Cell volume: 7574
Cell parameters: 26.477; 26.477; 12.475; 90; 90; 120;

COD ID: 1554835
CIF file	Formula: - C14 H22 N2 - Comments: van Dijk, Tom; Bakker, Martijn S.; Holtrop, Flip; Nieger, Martin; Slootweg, J. Chris; Lammertsma, Koop Base-stabilized nitrilium ions as convenient imine synthons. Organic letters 17(6) (2015) 1461-1464 Space group: R 3 c :H Cell volume: 6239.3 Cell parameters: 26.3163; 26.3163; 10.403; 90; 90; 120;

COD ID: 1558736
CIF file	Formula: - C72 H66 B3 Fe3 P3 - Comments: Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis Chemical Science (2020) Space group: R 3 c :H Cell volume: 8650.2 Cell parameters: 17.244; 17.244; 33.5908; 90; 90; 120;

COD ID: 1559014

Formula: - C30 H28 B Cl Mn N6 -
Comments: Coste, Scott C.; Pearson, Tyler J.; Altman, Alison B.; Klein, Ryan A.; Finney, Brian A.; Hu, Michael Y.; Alp, E. Ercan; Vlaisavljevich, Bess; Freedman, Danna E. Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes Chemical Science (2020)
Space group: R 3 c :H
Cell volume: 4075.8
Cell parameters: 12.023; 12.023; 32.558; 90; 90; 120;

COD ID: 1559397
CIF file	Formula: - Bi0.488 Na0.512 Nb0.025 O3 Ti0.975 - Comments: Idemoto, Y.; Fujishiro, N.; Kitamura, N. Ferroelectric and piezoelectric properties, and crystal structures of (Bi,Na)(Ti,M)O3 (M = Nb, Ta) Journal of the Ceramic Society of Japan 128 (2020) 766-771 Space group: R 3 c :H Cell volume: 355.48 Cell parameters: 5.5043; 5.5043; 13.548; 90; 90; 120;

COD ID: 1562044
CIF file	Formula: - B2 Ba Hf O6 - Comments: Mączka, Mirosław; Szymborska-Małek, Katarzyna; Gągor, Anna; Majchrowski, Andrzej Growth and characterization of acentric BaHf(BO3)2 and BaZr(BO3)2 Journal of Solid State Chemistry 225 (2015) 330-334 Space group: R 3 c :H Cell volume: 779.89 Cell parameters: 5.154; 5.154; 33.901; 90; 90; 120;

COD ID: 1562697
CIF file	Formula: - B9 Li O15 Pb - Comments: Xia, M.J.; Li, R.K. Crystal structure, growth and characterization of LiPbB9O15: A new congruent melting nonlinear optical crystal Journal of Solid State Chemistry 201 (2013) 288-292 Space group: R 3 c :H Cell volume: 6978 Cell parameters: 21.649; 21.649; 17.193; 90; 90; 120;

COD ID: 1563181
CIF file	Formula: - O48 S12 Yb8 - Comments: Mills, Stuart J.; Petříček, Václav; Kampf, Anthony R.; Herbst-Imer, Regine; Raudsepp, Mati The crystal structure of Yb2(SO4)3·3H2O and its decomposition product, β-Yb2(SO4)3 Journal of Solid State Chemistry 184(9) (2011) 2322-2328 Space group: R 3 c :H Cell volume: 6389.86 Cell parameters: 18.1958; 18.1958; 22.2853; 90; 90; 120;

COD ID: 1564215

Formula: - C29 H38 N2 O3 Sn -
Comments: Debnath, Paresh; Singh, Keisham Surjit; Devi, Thokchom Sonia; Singh, S.Sureshkumar; Butcher, Ray J.; Sieroń, Lesław; Maniukiewicz, Waldemar Synthesis, characterization, crystal structures and anti-diabetic activity of organotin (IV) complexes with 2-(4-hydroxynaphthylazo)-benzoic acid Inorganica Chimica Acta 510 (2020) 119736
Space group: R 3 c :H
Cell volume: 13114.8
Cell parameters: 38.463; 38.463; 10.2363; 90; 90; 120;

COD ID: 1564235
CIF file	Formula: - C118 H168 Ag3 Au6 Cu3 F9 N6 O36 P6 S6 - Comments: Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice Chemical Science (2021) Space group: R 3 c :H Cell volume: 23884.2 Cell parameters: 19.2549; 19.2549; 74.3872; 90; 90; 120;

COD ID: 1564588

Formula: - C72 H81 Cl3 F6 P4 S7 W3 -
Comments: Gushchin, Artem L.; Shmelev, Nikita Y.; Malysheva, Svetlana F.; Artem'ev, Alexander V.; Belogorlova, Nataliya A.; Abramov, Pavel A.; Laricheva, Yuliya A.; Fomenko, Iakov S.; Piryazev, Dmitriy A.; Sheven, Dmitriy G.; Sokolov, Maxim N. Trinuclear M3S4 cluster complexes with hemilabile phosphino-thioether ligands: Some experimental and theoretical aspects Inorganica Chimica Acta 508 (2020) 119645
Space group: R 3 c :H
Cell volume: 12654.7
Cell parameters: 15.7212; 15.7212; 59.122; 90; 90; 120;

COD ID: 1565434

Formula: - C30 H27 Bi Fe3 -
Comments: Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R. Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures Inorganica Chimica Acta 502 (2020) 119353
Space group: R 3 c :H
Cell volume: 3821.5
Cell parameters: 19.145; 19.145; 12.039; 90; 90; 120;

COD ID: 1566190

Formula: - Al18 Be18 Cs6.62 Li9 Na1.25 O162 Si54 -
Comments: Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure Journal of Solid State Chemistry 293 (2021) 121841
Space group: R 3 c :H
Cell volume: 5768
Cell parameters: 15.658; 15.658; 27.166; 90; 90; 120;

COD ID: 1567344

Formula: - C104 H120 Cl4 F2 N8 O2 S4 -
Comments: Zou, Yalu; Chen, Hongbin; Bi, Xingqi; Xu, Xiaoyun; Wang, Hebin; Lin, Menglu; Ma, Zaifei; Zhang, Mingtao; Li, Chenxi; Wan, Xiangjian; Long, Guankui; Zhaoyang, Yao; Chen, Yongsheng Peripheral halogenation engineering controls molecular stacking to enable highly efficient organic solar cells Energy & Environmental Science 15(8) (2022) 3519-3533
Space group: R 3 c :H
Cell volume: 48040
Cell parameters: 41.303; 41.303; 32.517; 90; 90; 120;

COD ID: 1570110

Formula: - C132 H218 Cu37 O53 P6 V12 -
Comments: Fang, Jun-Jie; Liu, Zheng; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing Template-assisted synthesis of isomeric copper(i) clusters with tunable structures showing photophysical and electrochemical properties. Chemical science 14(44) (2023) 12637-12644
Space group: R 3 c :H
Cell volume: 35315.3
Cell parameters: 20.1642; 20.1642; 100.293; 90; 90; 120;

COD ID: 1571775
CIF file	Formula: - C37 H45 N O6 - Comments: Sobczak, Szymon; Katrusiak, Andrzej Structural insight into piezo-solvatochromism of Reichardt's dye. IUCrJ 11(4) (2024) Space group: R 3 c :H Cell volume: 15674 Cell parameters: 24.062; 24.062; 31.259; 90; 90; 120;

COD ID: 1571776
CIF file	Formula: - C37 H45 N O6 - Comments: Sobczak, Szymon; Katrusiak, Andrzej Structural insight into piezo-solvatochromism of Reichardt's dye. IUCrJ 11(4) (2024) Space group: R 3 c :H Cell volume: 14966 Cell parameters: 23.645; 23.645; 30.91; 90; 90; 120;

COD ID: 1572295

Formula: - C21 H24 N O6 P3 -
Comments: Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers Crystals 14(7) (2024) 662
Space group: R 3 c :H
Cell volume: 3295.28
Cell parameters: 18.2554; 18.2554; 11.4177; 90; 90; 120;

COD ID: 1572528

Formula: - Ca26.83 Fe1.01 Mg3 Na0 Ni0 O84 P21 -
Comments: Galuskin, Evgeny V.; Galuskina, Irina O.; Kusz, Joachim; Książek, Maria; Vapnik, Yevgeny; Zieliński, Grzegorz Karwowskiite, Ca9(Fe2+0.5□ 0.5)Mg(PO4)7—A New Merrillite Group Mineral from Paralava of the Hatrurim Complex, Daba-Siwaqa, Jordan Minerals 14(8) (2024) 825
Space group: R 3 c :H
Cell volume: 3437.59
Cell parameters: 10.3375; 10.3375; 37.1443; 90; 90; 120;

COD ID: 1573171

Formula: - C144 H84 Cu16 F54 N12 P3 S25 -
Comments: Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba Kumar Analogues Copper Nanoclusters (Cu16/17) with Two Electron Superatomic and Mixed Valence Copper(II)/Copper(I) and Copper(I)/Copper(0) Characters† Nanoscale (2024)
Space group: R 3 c :H
Cell volume: 35281
Cell parameters: 24.815; 24.815; 66.157; 90; 90; 120;

COD ID: 1573173

Formula: - C163 H113 Cu17 F54 N13 O2 P3 S24 -
Comments: Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba Kumar Analogues Copper Nanoclusters (Cu16/17) with Two Electron Superatomic and Mixed Valence Copper(II)/Copper(I) and Copper(I)/Copper(0) Characters† Nanoscale (2024)
Space group: R 3 c :H
Cell volume: 35658
Cell parameters: 24.8645; 24.8645; 66.598; 90; 90; 120;

COD ID: 2000914
CIF file Original IUCr paper	Formula: - C54 H81 Au Cl O4 P3 - Comments: Muir, J. A.; Cuadrado, S. I.; Muir, M. M. Structure of tris(dicyclohexylphenylphosphine)gold(I) perchlorate Acta Crystallographica Section C 48(5) (1992) 915-917 Space group: R 3 c :H Cell volume: 7962 Cell parameters: 13.192; 13.192; 52.83; 90; 90; 120;

COD ID: 2001370
CIF file Original IUCr paper	Formula: - C12 H36 Bi Cl6 N3 - Comments: Jarraya, S.; Salah, A. B.; Daoud, A.; Rothammel, W.; Burzlaff, H. Structure of [(C~2~H~5~)~2~NH~2~]~3~BiCl~6~ Acta Crystallographica Section C 49(9) (1993) 1594-1596 Space group: R 3 c :H Cell volume: 3650.5 Cell parameters: 14.7507; 14.7507; 19.373; 90; 90; 120;

COD ID: 2002132
CIF file	Formula: - Ca3 Cr14 O56 Sr18 - Comments: Cuno, E; Mueller-Buschbaum, Hk Ein Beitrag zur Kristallchemie der Erdalkalimetall-Oxochromate(V) :Sr3 (Cr O4)2 und Sr18 Ca3 Cr14 O56 Zeitschrift fuer Anorganische und Allgemeine Chemie 572 (1989) 95-101 Space group: R 3 c :H Cell volume: 4116.6 Cell parameters: 11.004; 11.004; 39.256; 90; 90; 120;

COD ID: 2002584
CIF file	Formula: - Cu6 La4 Mo9 O36 - Comments: Krueger, T F; Mueller-Buschbaum, Hk Zur Kenntnis von Cu6 La4 Mo9 O36 Zeitschrift fuer Anorganische und Allgemeine Chemie 614 (1992) 35-37 Space group: R 3 c :H Cell volume: 4821 Cell parameters: 20.892; 20.892; 12.754; 90; 90; 120;

COD ID: 2002673

Formula: - Cu3 Mg O6 Sb1.4 -
Comments: Szillat, H; Mueller-Buschbaum, Hk Synthese und Kristallstruktur eines Oxoantimonats mit Verwandtschaft zum Delafossit-Typ: Cu3 Mg Sb1.4 O6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 50 (1995) 261-264
Space group: R 3 c :H
Cell volume: 854.1
Cell parameters: 5.3479; 5.3479; 34.48198; 90; 90; 120;

COD ID: 2002768
CIF file	Formula: - Ca10 K O28 V7 - Comments: Mueller-Buschbaum, Hk; Schrandt, O K+ auf einer mit Ca2+ unterbesetzten Punktlage in Ca3 (V O4)2: Ein Beitrag ueber K Ca10 V7 O28 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51 (1996) 473-476 Space group: R 3 c :H Cell volume: 3845.6 Cell parameters: 10.83; 10.83; 37.85999; 90; 90; 120;

COD ID: 2003607
CIF file Original IUCr paper	Formula: - C30 H39 O3 P S - Comments: Büyükgüngör, O.; Odabaşoğlu, M.; Gümrükçüoğlu, İ. E.; Eichhorn, K.; Mattern, G. Tris(<i>O</i>-4-<i>tert</i>-butylphenyl)thiophosphate, C~30~H~39~O~3~PS Acta Crystallographica Section C 51(6) (1995) 1207-1209 Space group: R 3 c :H Cell volume: 4419.9 Cell parameters: 13.829; 13.829; 26.687; 90; 90; 120;

COD ID: 2004852
CIF file Original IUCr paper	Formula: - C25 H27 N O3 S3 Sn - Comments: Vittal, J. J.; Dean, P. A. W. Tetramethylammonium Tris(thiobenzoato-<i>O</i>,<i>S</i>)tin(II) Acta Crystallographica Section C 52(5) (1996) 1180-1182 Space group: R 3 c :H Cell volume: 4009.9 Cell parameters: 12.709; 12.709; 28.667; 90; 90; 120;

COD ID: 2005930

Formula: - C24 H53 Au I4 N9 O3 P3 -
Comments: Forward, J. M.; Staples, R. J.; Liu, C. W.; Fackler, Jnr, J. P. Luminescent Tris(3-ethyl-1,5-diaza-3-azonia-7-phosphatricyclo[3.3.1.1^3,7^]decane-P)gold(I) Tetraiodide Trihydrate, [(EtTPA)~3~Au]I~4~.3H~2~O Acta Crystallographica Section C 53(2) (1997) 195-197
Space group: R 3 c :H
Cell volume: 5985.8
Cell parameters: 21.421; 21.421; 15.063; 90; 90; 120;

COD ID: 2008646

Formula: - C72 H60 Ag3 I P4 S5 W -
Comments: Jin, Qiong-Hua; Xin, Xiu-Lan; Deng, Yu-Heng; Yu, Kai-Bei μ~3~-Iodo-2:3:4κ^3^I-tri-μ~3~-sulfido-1:2:3κ^3^S;1:2:4κ^3^S;1:3:4κ^3^S-sulfido-1κS-tris(triphenylphosphine)-2κP,3κP,4κP-trisilvertungsten‒triphenylphosphine sulfide (1/1) Acta Crystallographica Section C 55(6) (1999) 860-863
Space group: R 3 c :H
Cell volume: 10360
Cell parameters: 16.4555; 16.4555; 44.178; 90; 90; 120;

COD ID: 2010233
CIF file Original IUCr paper	Formula: - C8 H18 N4 O4 S2 Zn - Comments: Smolander, K.; Ahlgrèn, M.; Melník, M.; Skorsepa, J.; Györyovà, K. Monomeric (dipropionato-<i>O</i>)(dithiourea-<i>S</i>)zinc(II) Acta Crystallographica Section C 50(12) (1994) 1900-1902 Space group: R 3 c :H Cell volume: 7387 Cell parameters: 25.058; 25.058; 13.585; 90; 90; 120;

COD ID: 2012841

Formula: - C23 H29 N3 O4 -
Comments: Linden, Anthony; Şafak, Cihat; Kismetlı, Emrah N,N-Diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide Acta Crystallographica Section C 58(7) (2002) o436-o438
Space group: R 3 c :H
Cell volume: 9831.2
Cell parameters: 28.2157; 28.2157; 14.2592; 90; 90; 120;

COD ID: 2013676

Formula: - B4 Cd3 O12 Zn3 -
Comments: Sun, Tongqing; Pan, Feng; Wang, Ruji; Shen, Guangqiu; Wang, Xiaoqing; Shen, Dezhong A non-linear optical crystal, Cd~3~Zn~3~(BO~3~)~4~ Acta Crystallographica Section C 59(11) (2003) i107-i108
Space group: R 3 c :H
Cell volume: 744.3
Cell parameters: 8.364; 8.364; 12.286; 90; 90; 120;

COD ID: 2014283

Formula: - C9 H8 N2 -
Comments: Nielsen, David J.; Pettinari, Claudio; Skelton, Brian W.; White, Allan H. 4-Phenyl-1H-imidazole (a low-temperature redetermination), 1-benzyl-1H-imidazole and 1-mesityl-1H-imidazole Acta Crystallographica Section C 60(8) (2004) o542-o544
Space group: R 3 c :H
Cell volume: 3530.9
Cell parameters: 20.449; 20.449; 9.75; 90; 90; 120;

COD ID: 2014306

Formula: - Ca8.42 Na1.16 O28 P7 V -
Comments: Alexander A. Tsirlin; Evgeniy V. Dikarev; Roman V. Shpanchenko; Evgeny V. Antipov A new whitlockite, Ca~8.42~Na~1.16~V(PO~4~)~7~ Acta Crystallographica Section C 62(2) (2006) i13-i15
Space group: R 3 c :H
Cell volume: 3426.5
Cell parameters: 10.3273; 10.3273; 37.098; 90; 90; 120;

COD ID: 2015570

Formula: - B6 Ba3 O12 -
Comments: Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K Acta Crystallographica Section C 62(9) (2006) i73-i75
Space group: R 3 c :H
Cell volume: 1729.9
Cell parameters: 12.531; 12.531; 12.721; 90; 90; 120;

COD ID: 2015571

Formula: - B6 Ba3 O12 -
Comments: Shao-Fang Lu; Zi-Xiang Huang; Jin-Ling Huang Meta-barium borate, II-BaB~2~O~4~, at 163 and 293K Acta Crystallographica Section C 62(9) (2006) i73-i75
Space group: R 3 c :H
Cell volume: 1720.9
Cell parameters: 12.53; 12.53; 12.657; 90; 90; 120;

COD ID: 2017596

Formula: - C12 H36 Cl6 N3 Sb -
Comments: Bujak, Maciej Octahedral distortion caused by hydrogen bonding in tris(diethylammonium) hexachloridoantimonate(III) Acta Crystallographica Section C 66(4) (2010) m101-m103
Space group: R 3 c :H
Cell volume: 3559.19
Cell parameters: 14.71917; 14.71917; 18.9694; 90; 90; 120;

COD ID: 2018770

Formula: - Ca10 Cr7 O28 -
Comments: Gyepesová, Dalma; Langer, Vratislav Ca~10~(Cr^V^O~4~)~6~(Cr^VI^O~4~), a disordered mixed-valence chromium compound exhibiting inversion twinning Acta Crystallographica Section C 69(2) (2013) 111-113
Space group: R 3 c :H
Cell volume: 3816.02
Cell parameters: 10.758; 10.758; 38.073; 90; 90; 120;

COD ID: 2018879
CIF file	Formula: - B7 Cl Fe3 O13 - Comments: Yvon, K.; Mendoza-Alvarez, M.E.; Depmeier, W.; Schmid, H. Structure refinement of trigonal iron-chlorine Boracite Acta Crystallographica C (39,1983-) 41 (1985) 1551-1552 Space group: R 3 c :H Cell volume: 1355.55 Cell parameters: 8.6231; 8.6231; 21.05029; 90; 90; 120;

COD ID: 2022452

Formula: - C11 H15 Cl N2 -
Comments: Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R. The crystalline forms of nine hydrochloride salts of substituted tryptamines Acta Crystallographica Section C 77(10) (2021)
Space group: R 3 c :H
Cell volume: 5508.6
Cell parameters: 29.3337; 29.3337; 7.3922; 90; 90; 120;

COD ID: 2100202

Formula: - C8 H10 N4 O2 -
Comments: Derollez, Patrick; Correia, Natália T.; Danède, Florence; Capet, Frédéric; Affouard, Frédéric; Lefebvre, Jacques; Descamps, Marc Ab initio structure determination of the high-temperature phase of anhydrous caffeine by X-ray powder diffraction Acta Crystallographica Section B 61(3) (2005) 329-334
Space group: R 3 c :H
Cell volume: 1332.88
Cell parameters: 14.9372; 14.9372; 6.898; 90; 90; 120;

COD ID: 2101175
CIF file Original IUCr paper	Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R 3 c :H Cell volume: 318.64 Cell parameters: 5.1513; 5.1513; 13.8654; 90; 90; 120;

COD ID: 2101176
CIF file Original IUCr paper	Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R 3 c :H Cell volume: 331.75 Cell parameters: 5.2542; 5.2542; 13.8759; 90; 90; 120;

COD ID: 2101177
CIF file Original IUCr paper	Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R 3 c :H Cell volume: 333.6 Cell parameters: 5.2718; 5.2718; 13.8604; 90; 90; 120;

COD ID: 2101181
CIF file Original IUCr paper	Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R 3 c :H Cell volume: 331.75 Cell parameters: 5.2542; 5.2542; 13.8759; 90; 90; 120;

COD ID: 2101182
CIF file Original IUCr paper	Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R 3 c :H Cell volume: 333.6 Cell parameters: 5.2719; 5.2719; 13.8601; 90; 90; 120;

COD ID: 2101720
CIF file Original IUCr paper	Formula: - C24 H33 Cl3 Ir P3 - Comments: Marsh, R. E. The perils of <i>Cc</i> revisited Acta Crystallographica Section B 53(2) (1997) 317-322 Space group: R 3 c :H Cell volume: 7936.3 Cell parameters: 14.924; 14.924; 41.145; 90; 90; 120;

COD ID: 2101728
CIF file Original IUCr paper	Formula: - C12 H9 O3 P Se - Comments: Marsh, R. E. The perils of <i>Cc</i> revisited Acta Crystallographica Section B 53(2) (1997) 317-322 Space group: R 3 c :H Cell volume: 1878.43 Cell parameters: 12.522; 12.522; 13.833; 90; 90; 120;

COD ID: 2101737
CIF file Original IUCr paper	Formula: - C63 H45 Br3 Ni2 - Comments: Marsh, R. E. The perils of <i>Cc</i> revisited Acta Crystallographica Section B 53(2) (1997) 317-322 Space group: R 3 c :H Cell volume: 8303.49 Cell parameters: 15.348; 15.348; 40.703; 90; 90; 120;

COD ID: 2101758
CIF file Original IUCr paper	Formula: - C24 H67 N25 Si4 - Comments: Marsh, R. E. The perils of <i>Cc</i> revisited Acta Crystallographica Section B 53(2) (1997) 317-322 Space group: R 3 c :H Cell volume: 5950.26 Cell parameters: 22.643; 22.643; 13.401; 90; 90; 120;

COD ID: 2101781
CIF file Original IUCr paper	Formula: - C15 H45 N3 Si4 Ti - Comments: Marsh, R. E. The perils of <i>Cc</i> revisited Acta Crystallographica Section B 53(2) (1997) 317-322 Space group: R 3 c :H Cell volume: 3945.84 Cell parameters: 15.305; 15.305; 19.451; 90; 90; 120;

COD ID: 2101782
CIF file Original IUCr paper	Formula: - C15 H45 Ge N3 Si3 Ti - Comments: Marsh, R. E. The perils of <i>Cc</i> revisited Acta Crystallographica Section B 53(2) (1997) 317-322 Space group: R 3 c :H Cell volume: 3983.67 Cell parameters: 15.351; 15.351; 19.52; 90; 90; 120;

COD ID: 2101801
CIF file Original IUCr paper	Formula: - C6 H9 As O6 - Comments: Marsh, R. E. The perils of <i>Cc</i> revisited Acta Crystallographica Section B 53(2) (1997) 317-322 Space group: R 3 c :H Cell volume: 1455.15 Cell parameters: 13.203; 13.203; 9.639; 90; 90; 120;

COD ID: 2101845
CIF file Original IUCr paper	Formula: - Li Nb O3 - Comments: Hsu, R.; Maslen, E. N.; du Boulay, D.; Ishizawa, N. Synchrotron X-ray Studies of LiNbO~3~ and LiTaO~3~ Acta Crystallographica Section B 53(3) (1997) 420-428 Space group: R 3 c :H Cell volume: 318.2 Cell parameters: 5.148; 5.148; 13.863; 90; 90; 120;

COD ID: 2101846
CIF file Original IUCr paper	Formula: - Li O3 Ta - Comments: Hsu, R.; Maslen, E. N.; du Boulay, D.; Ishizawa, N. Synchrotron X-ray Studies of LiNbO~3~ and LiTaO~3~ Acta Crystallographica Section B 53(3) (1997) 420-428 Space group: R 3 c :H Cell volume: 317.1 Cell parameters: 5.154; 5.154; 13.783; 90; 90; 120;

COD ID: 2101999

Formula: - Hf0.8 O3 Pb Ti0.2 -
Comments: Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B 56(1) (2000) 27-38
Space group: R 3 c :H
Cell volume: 413.259
Cell parameters: 5.7827; 5.7827; 14.2702; 90; 90; 120;

COD ID: 2102000

Formula: - Hf0.8 O3 Pb Ti0.2 -
Comments: Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B 56(1) (2000) 27-38
Space group: R 3 c :H
Cell volume: 413.984
Cell parameters: 5.7871; 5.7871; 14.2735; 90; 90; 120;

COD ID: 2102001

Formula: - Hf0.8 O3 Pb Ti0.2 -
Comments: Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B 56(1) (2000) 27-38
Space group: R 3 c :H
Cell volume: 415.035
Cell parameters: 5.7943; 5.7943; 14.2742; 90; 90; 120;

COD ID: 2102002

Formula: - Hf0.8 O3 Pb Ti0.2 -
Comments: Christophe Muller; Jean-Louis Baudour; Cédric Bedoya; Françoise Bouree; Jean-Louis Soubeyroux; Marc Roubin Octahedral deformations and cationic displacements in the ferroelectric PbHf~0.8~Ti~0.2~O~3~: a neutron powder diffraction study from 10 to 770K Acta Crystallographica Section B 56(1) (2000) 27-38
Space group: R 3 c :H
Cell volume: 415.94
Cell parameters: 5.8025; 5.8025; 14.2648; 90; 90; 120;

COD ID: 2102215
CIF file Original IUCr paper	Formula: - C6 H9 N3 O3 - Comments: Fridman, Natalya; Kapon, Moshe; Sheynin, Yana; Kaftory, Menahem Different packing in three polymorphs of 2,4,6-trimethoxy-1,3,5-triazine Acta Crystallographica Section B 60(1) (2004) 97-102 Space group: R 3 c :H Cell volume: 1207.8 Cell parameters: 14.027; 14.027; 7.088; 90; 90; 120;

COD ID: 2102469
CIF file Original IUCr paper	Formula: - C22 H57 Cl4 Cu3 N9 O19 - Comments: Marsh, Richard E. Space group <i>Cc</i>: an update Acta Crystallographica Section B 60(2) (2004) 252-253 Space group: R 3 c :H Cell volume: 6711.67 Cell parameters: 20.932; 20.932; 17.688; 90; 90; 120;

COD ID: 2102909
CIF file Original IUCr paper	Formula: - Bi Fe O3 - Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544 Space group: R 3 c :H Cell volume: 373.827 Cell parameters: 5.57882; 5.57882; 13.86932; 90; 90; 120;

COD ID: 2102910
CIF file Original IUCr paper	Formula: - Bi Fe O3 - Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544 Space group: R 3 c :H Cell volume: 376.035 Cell parameters: 5.58829; 5.58829; 13.904; 90; 90; 120;

COD ID: 2102911
CIF file Original IUCr paper	Formula: - Bi Fe O3 - Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544 Space group: R 3 c :H Cell volume: 376.393 Cell parameters: 5.58986; 5.58986; 13.90943; 90; 90; 120;

COD ID: 2102912
CIF file Original IUCr paper	Formula: - Bi Fe O3 - Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544 Space group: R 3 c :H Cell volume: 376.945 Cell parameters: 5.59227; 5.59227; 13.91782; 90; 90; 120;

COD ID: 2102913
CIF file Original IUCr paper	Formula: - Bi Fe O3 - Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544 Space group: R 3 c :H Cell volume: 378.155 Cell parameters: 5.59771; 5.59771; 13.93538; 90; 90; 120;

COD ID: 2102914
CIF file Original IUCr paper	Formula: - Bi Fe O3 - Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544 Space group: R 3 c :H Cell volume: 378.497 Cell parameters: 5.59922; 5.59922; 13.94046; 90; 90; 120;

COD ID: 2102915
CIF file Original IUCr paper	Formula: - Bi Fe O3 - Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544 Space group: R 3 c :H Cell volume: 378.807 Cell parameters: 5.60065; 5.60065; 13.94476; 90; 90; 120;

COD ID: 2102916
CIF file Original IUCr paper	Formula: - Bi Fe O3 - Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544 Space group: R 3 c :H Cell volume: 379.634 Cell parameters: 5.60456; 5.60456; 13.9557; 90; 90; 120;

COD ID: 2102917
CIF file Original IUCr paper	Formula: - Bi Fe O3 - Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544 Space group: R 3 c :H Cell volume: 380.966 Cell parameters: 5.61135; 5.61135; 13.9708; 90; 90; 120;

COD ID: 2102918
CIF file Original IUCr paper	Formula: - Bi Fe O3 - Comments: Palewicz, Andrzej; Przenioslo, Radoslaw; Sosnowska, Izabela; Hewat, Alan Atomic displacements in BiFeO~3~ as a function of temperature: neutron diffraction study Acta Crystallographica Section B 63(4) (2007) 537-544 Space group: R 3 c :H Cell volume: 382.259 Cell parameters: 5.61853; 5.61853; 13.9824; 90; 90; 120;

COD ID: 2102945

Formula: - O3 Pb Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder difraction structural characterization of Pb(1-x)Ba(x)Zr(0.65)Ti(0.35)O3 ceramic. Acta Crystallographica, Section B 63(5) (2007) 713-718
Space group: R 3 c :H
Cell volume: 412.547
Cell parameters: 5.7779174; 5.7779174; 14.2692051; 90; 90; 120;

COD ID: 2102947

Formula: - Ba0.1 O3 Pb0.9 Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~x}Ba~x~Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B 63(5) (2007) 713-718
Space group: R 3 c :H
Cell volume: 414.114
Cell parameters: 5.78826; 5.78826; 14.27227; 90; 90; 120;

COD ID: 2102949

Formula: - Ba0.2 O3 Pb0.8 Ti0.35 Zr0.65 -
Comments: Mir, M.; Mascarenhas, Y.P.; Mastelaro, V.R.; Neves, P.P.; Doriguetto, A.C.; Garcia, D.; Lente, M.H.; Eiras, J.A. X-ray powder diffraction structural characterization of Pb~1{-~x}Ba~x~Zr~0.65~Ti~0.35~O~3~ ceramic Acta Crystallographica Section B 63(5) (2007) 713-718
Space group: R 3 c :H
Cell volume: 415.338
Cell parameters: 5.79776; 5.79776; 14.26758; 90; 90; 120;

COD ID: 2103183
CIF file Original IUCr paper	Formula: - H12 Li Mo3 Na3 O18 - Comments: Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H. Some 60 new space-group corrections Acta Crystallographica Section B 58(1) (2002) 62-77 Space group: R 3 c :H Cell volume: 2058.69 Cell parameters: 8.735; 8.732; 31.163; 90; 90.01; 119.99;

COD ID: 2103295
CIF file Original IUCr paper	Formula: - Bi0.5 Na0.5 O3 Ti - Comments: Jones, G. O.; Thomas, P. A. Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na~0.5~Bi~0.5~TiO~3~ Acta Crystallographica Section B 58(2) (2002) 168-178 Space group: R 3 c :H Cell volume: 352.34 Cell parameters: 5.4887; 5.4887; 13.5048; 90; 90; 120;

COD ID: 2104376
CIF file Original IUCr paper	Formula: - K0.05 Na0.95 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 363.554 Cell parameters: 5.51848; 5.51848; 13.78476; 90; 90; 120;

COD ID: 2104377
CIF file Original IUCr paper	Formula: - K0.05 Na0.95 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 363.684 Cell parameters: 5.51972; 5.51972; 13.7835; 90; 90; 120;

COD ID: 2104378
CIF file Original IUCr paper	Formula: - K0.05 Na0.95 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 363.995 Cell parameters: 5.52229; 5.52229; 13.78243; 90; 90; 120;

COD ID: 2104379
CIF file Original IUCr paper	Formula: - K0.05 Na0.95 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 364.354 Cell parameters: 5.52539; 5.52539; 13.78058; 90; 90; 120;

COD ID: 2104380
CIF file Original IUCr paper	Formula: - K0.05 Na0.95 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 364.826 Cell parameters: 5.52922; 5.52922; 13.77931; 90; 90; 120;

COD ID: 2104381
CIF file Original IUCr paper	Formula: - K0.3 Na0.7 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 374.901 Cell parameters: 5.59214; 5.59214; 13.843; 90; 90; 120;

COD ID: 2104382
CIF file Original IUCr paper	Formula: - K0.3 Na0.7 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 375.057 Cell parameters: 5.59326; 5.59326; 13.8432; 90; 90; 120;

COD ID: 2104383
CIF file Original IUCr paper	Formula: - K0.3 Na0.7 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 375.211 Cell parameters: 5.59447; 5.59447; 13.8429; 90; 90; 120;

COD ID: 2104384
CIF file Original IUCr paper	Formula: - K0.3 Na0.7 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 375.383 Cell parameters: 5.59575; 5.59575; 13.8429; 90; 90; 120;

COD ID: 2104385
CIF file Original IUCr paper	Formula: - K0.3 Na0.7 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 375.557 Cell parameters: 5.59717; 5.59717; 13.8423; 90; 90; 120;

COD ID: 2104387
CIF file Original IUCr paper	Formula: - K0.05 Na0.95 Nb O3 - Comments: Zhang, N.; Glazer, A. M.; Baker, D.; Thomas, P. A. Structures of K~0.05~Na~0.95~NbO~3~ (50‒300K) and K~0.30~Na~0.70~NbO~3~ (100‒200K) Acta Crystallographica Section B 65(3) (2009) 291-299 Space group: R 3 c :H Cell volume: 364.63 Cell parameters: 5.5298; 5.5298; 13.7692; 90; 90; 120;

COD ID: 2105349
CIF file	Formula: - Ag N O3 - Comments: Chevalier, R.; Meyer, P.; Rimsky, A. Structure d une phase du nitrate d argent instable a temperature et pression ordinaires Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1143-1146 Space group: R 3 c :H Cell volume: 382.309 Cell parameters: 5.16; 5.16; 16.58; 90; 90; 120;

COD ID: 2106319
CIF file	Formula: - O3 Pb Ti0.1 Zr0.9 - Comments: Glazer, A.M.; Mabud, S.A.; Clarke, R. Powder profile refinement of lead zirconate titanate at several temperatures. I. Pb Zr0.9 Ti0.1 O3 Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1060-1065 Space group: R 3 c :H Cell volume: 425.858 Cell parameters: 5.8412; 5.8412; 14.4122; 90; 90; 120;

COD ID: 2107260
CIF file	Formula: - D4 F N - Comments: Lawson, A.C.jr.; Roof, R.B.jr.; Morosin, B.; Jorgensen, J.D.; Schirber, J.E. Structure of N D4 F - II Acta Crystallographica B (39,1983-) 45 (1989) 212-218 Space group: R 3 c :H Cell volume: 1024.14 Cell parameters: 8.508; 8.508; 16.337; 90; 90; 120;

COD ID: 2202288
CIF file Original IUCr paper	Formula: - Ge3 Pr4 S12 - Comments: Helmholdt, Robert B.; Goubitz, Kees; Sonneveld, Ed J.; Schenk, Henk Pr~4~Ge~3~S~12~: structure determination from high-resolution powder diffraction data Acta Crystallographica Section E 59(8) (2003) i119-i121 Space group: R 3 c :H Cell volume: 2570.55 Cell parameters: 19.2856; 19.2856; 7.98049; 90; 90; 120;

COD ID: 2202597

Formula: - C12 H12 Cr O6 -
Comments: Zeller, Matthias; Hunter, Allen D. Tricarbonyl(η^6^-1,3,5-trimethoxybenzene)chromium(0) Acta Crystallographica Section E 59(11) (2003) m1078-m1079
Space group: R 3 c :H
Cell volume: 1865.7
Cell parameters: 12.6892; 12.6892; 13.3798; 90; 90; 120;

COD ID: 2204244

Formula: - K O12 P3 Sn4 -
Comments: Deng, Jin-Feng; Kang, You-Jun; Mi, Jin-Xiao; Li, Man-Rong; Zhao, Jing-Tai; Mao, Shao-Yu KSn~4~(PO~4~)~3~ Acta Crystallographica Section E 60(9) (2004) i116-i117
Space group: R 3 c :H
Cell volume: 2008.45
Cell parameters: 9.7342; 9.7342; 24.4754; 90; 90; 120;

COD ID: 2208108

Formula: - C25 H21 Cl3 N3 O4 -
Comments: Yan-Ping Luo; Hong-Bin Zhou 1,3,5-Tris(4-chlorophenyl)-1,3,5-triazinane-2,4,6-trione acetone solvate Acta Crystallographica Section E 62(2) (2006) o538-o539
Space group: R 3 c :H
Cell volume: 3741.1
Cell parameters: 12.7911; 12.7911; 26.403; 90; 90; 120;

COD ID: 2211539

Formula: - C10 H7 Cd N3 O4 -
Comments: Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Hui A three-dimensional porous cadmium(II) coordination polymer: poly[[(pyridine-κN)cadmium(II)]-μ~3~-imidazole-4,5-dicarboxylato-κ^6^N,O:N',O':O',O''] Acta Crystallographica Section E 62(12) (2006) m3233-m3235
Space group: R 3 c :H
Cell volume: 5385.9
Cell parameters: 21.112; 21.112; 13.953; 90; 90; 120;

COD ID: 2211651

Formula: - Ca10 K O28 P7 -
Comments: Malin Hannah Sandström; Dan Boström Ca~10~K(PO~4~)~7~ from single-crystal data Acta Crystallographica Section E 62(12) (2006) i253-i255
Space group: R 3 c :H
Cell volume: 3530.7
Cell parameters: 10.463; 10.463; 37.241; 90; 90; 120;

COD ID: 2212943

Formula: - C17 H6.97 B Cu F18 N7 -
Comments: Marielle Nicole C. Balili; Tomislav Pintauer (Acetonitrile){hydridotris[3,5-bis(trifluoromethyl)-1-pyrazolyl]borato}copper(I) Acta Crystallographica Section E 63(4) (2007) m988-m990
Space group: R 3 c :H
Cell volume: 3694.7
Cell parameters: 13.051; 13.051; 25.047; 90; 90; 120;

COD ID: 2215652

Formula: - C5 H8 O3 -
Comments: Betz, Richard; Klüfers, Peter 1-Hydroxycyclobutane-1-carboxylic acid Acta Crystallographica Section E 63(10) (2007) o4032-o4032
Space group: R 3 c :H
Cell volume: 2568.9
Cell parameters: 10.158; 10.158; 28.747; 90; 90; 120;

COD ID: 2215668

Formula: - C23 H30 Co3 N3 O6 -
Comments: Brown, Jolene M.; Nicholson, Brian K. Tris(tert-butylisonitrile)hexacarbonyl-μ~3~-ethylidyne-triangulo-tricobalt(I)(3 Co{—Co}) Acta Crystallographica Section E 63(10) (2007) m2542-m2542
Space group: R 3 c :H
Cell volume: 4360
Cell parameters: 16.9804; 16.9804; 17.4605; 90; 90; 120;

COD ID: 2215686

Formula: - Ca9 Cr O28 P7 -
Comments: Zatovsky, Igor V.; Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Shishkin, Oleg V.; Slobodyanik, Nikolay S. The whitlockite-related phosphate Ca~9~Cr(PO~4~)~7~ Acta Crystallographica Section E 63(10) (2007) i180-i181
Space group: R 3 c :H
Cell volume: 3429.6
Cell parameters: 10.3272; 10.3272; 37.132; 90; 90; 120;

COD ID: 2216661

Formula: - Ga2 H6 O12 Te3 -
Comments: Weil, Matthias; Stöger, Berthold Ga~2~(TeO~3~)~3~(H~2~O)~3~ Acta Crystallographica Section E 63(12) (2007) i202-i202
Space group: R 3 c :H
Cell volume: 1603.9
Cell parameters: 9.5404; 9.5404; 20.3472; 90; 90; 120;

COD ID: 2217763

Formula: - Ge4 Na O12 P3 -
Comments: Lee, Chi-Shen; Weng, Sheng-Feng A quaternary germanium(II) phosphate, Na[Ge~4~(PO~4~)~3~] Acta Crystallographica Section E 64(3) (2008) i17
Space group: R 3 c :H
Cell volume: 1788
Cell parameters: 9.377; 9.377; 23.48; 90; 90; 120;

COD ID: 2223241

Formula: - C12 H22.2 Cl N O0.1 -
Comments: Lou, Wei-Jian; Hu, Xiu-Rong; Gu, Jian-Ming Memantinium chloride 0.1-hydrate Acta Crystallographica Section E 65(9) (2009) o2191
Space group: R 3 c :H
Cell volume: 5944.8
Cell parameters: 28.3787; 28.3787; 8.5236; 90; 90; 120;

COD ID: 2223616
CIF file Original IUCr paper	Formula: - B7 Br Fe1.59 O13 Zn1.41 - Comments: Ulloa-Godínez, Sandra; Rosales, Ivonne; Bucio, Lauro; Farías, Mario H.; Campa-Molina, Jorge Rietveld refinement of the mixed boracite Fe~1.59~Zn~1.41~B~7~O~13~Br Acta Crystallographica Section E 65(11) (2009) i83-i84 Space group: R 3 c :H Cell volume: 1352.12 Cell parameters: 8.6081; 8.6081; 21.0703; 90; 90; 120;

COD ID: 2225073

Formula: - C18 H14 Mn N3 Na O10 -
Comments: Zhang, Bing-Yu; Nie, Jing-Jing; Xu, Duan-Jun Poly[[tris(μ~3~-2-oxidopyridinium-3-carboxylato)manganese(II)sodium(I)] monohydrate] Acta Crystallographica Section E 66(2) (2010) m213-m214
Space group: R 3 c :H
Cell volume: 3337.2
Cell parameters: 10.1478; 10.1478; 37.42; 90; 90; 120;

COD ID: 2225745

Formula: - C23 H20 Fe N2 O -
Comments: Gallagher, John F.; Alley, Steven; Lough, Alan J. 2-Ferrocenyl-N-(6-methyl-2-pyridyl)benzamide Acta Crystallographica Section E 66(4) (2010) m396
Space group: R 3 c :H
Cell volume: 16661.7
Cell parameters: 22.8234; 22.8234; 36.9342; 90; 90; 120;

COD ID: 2226013

Formula: - Ca9.8 Fe0.2 K0.8 O28 P7 -
Comments: Zatovsky, Igor V.; Ogorodnyk, Ivan V.; Strutynska, Nataliya Yu.; Slobodyanik, Nikolay S.; Sharkina, Nataliya O. Rietveld refinement of whitlockite-related K~0.8~Ca~9.8~Fe~0.2~(PO~4~)~7~ Acta Crystallographica Section E 66(5) (2010) i41-i42
Space group: R 3 c :H
Cell volume: 3522.17
Cell parameters: 10.44282; 10.44282; 37.29443; 90; 90; 120;

COD ID: 2234936

Formula: - C11 H10 N2 S -
Comments: Nasrullayev, Azizbek O.; Elmuradov, Burkhon Zh.; Turgunov, Kambarali K.; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusnutdin M. 2,3-Dihydropyrrolo[2,1-b]quinazoline-9(1H)-thione Acta Crystallographica Section E 68(6) (2012) o1746
Space group: R 3 c :H
Cell volume: 4425.5
Cell parameters: 26.206; 26.206; 7.441; 90; 90; 120;

COD ID: 2235182

Formula: - C18 H59 Cl8 N9 O9 S -
Comments: Neis, Christian; Merten, Günter J.; Hegetschweiler, Kaspar Tris(cis-2-hydroxycyclohexane-1,3,5-triaminium) hydrogen sulfate octachloride dihydrate Acta Crystallographica Section E 68(6) (2012) o1899-o1900
Space group: R 3 c :H
Cell volume: 6049.1
Cell parameters: 12.6549; 12.6549; 43.616; 90; 90; 120;

COD ID: 2238071
CIF file Original IUCr paper	Formula: - Ag Ca10 O28 P7 - Comments: Strutynska, Nataliya Yu.; Zatovsky, Igor V.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S. Rietveld refinement of AgCa~10~(PO~4~)~7~ from X-ray powder data Acta Crystallographica Section E 69(5) (2013) i23 Space group: R 3 c :H Cell volume: 3522.5 Cell parameters: 10.43723; 10.43723; 37.3379; 90; 90; 120;

COD ID: 2239070
CIF file HKL data	Formula: - C24 H21 N3 O6 - Comments: Fang, Li; Li, Feifei; Luo, Xuemei 1,3,5-Tris(4-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione Acta Crystallographica Section E 70(2) (2014) o118 Space group: R 3 c :H Cell volume: 4028.7 Cell parameters: 13.2008; 13.2008; 26.695; 90; 90; 120;

COD ID: 2240504

Formula: - C21 H30 Fe N9 O3 S3 -
Comments: Kucheriv, Olesia I.; Shylin, Sergii I.; Ilina, Tetiana A.; Dechert, Sebastian; Gural'skiy, Il'ya A. Crystal structure of the co-crystal fac-triaquatris(thiocyanato-κN)iron(III)‒2,3-dimethylpyrazine (1/3) Acta Crystallographica Section E 71(4) (2015) 374-376
Space group: R 3 c :H
Cell volume: 4379.5
Cell parameters: 16.9383; 16.9383; 17.6259; 90; 90; 120;

COD ID: 2241098

Formula: - C69 H87 Br5 Cl18 Co N6 -
Comments: Rais, Eduard; Flörke, Ulrich; Wilhelm, René Crystal structure of tris(1,3-dimesityl-4,5-dihydro-1H-imidazol-3-ium) tetrabromidocobaltate(II) bromide chloroform hexasolvate Acta Crystallographica Section E 71(10) (2015) m177-m178
Space group: R 3 c :H
Cell volume: 13791
Cell parameters: 16.0535; 16.0535; 61.79; 90; 90; 120;

COD ID: 2241193

Formula: - H12 N3 O7 P -
Comments: Leinemann, Malte; Jess, Inke; Boeckmann, Jan; Näther, Christian Crystal structure of tris(hydroxylammonium) orthophosphate Acta Crystallographica Section E 71(11) (2015) i10-i11
Space group: R 3 c :H
Cell volume: 1094.94
Cell parameters: 10.7072; 10.7072; 11.0283; 90; 90; 120;

COD ID: 2243890

Formula: - H12 Li Na3 O14 S2 -
Comments: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH Acta Crystallographica Section E 77(9) (2021)
Space group: R 3 c :H
Cell volume: 1830.7
Cell parameters: 8.3876; 8.3876; 30.048; 90; 90; 120;

COD ID: 2243891

Formula: - H12 Li Na3 O14 S2 -
Comments: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH Acta Crystallographica Section E 77(9) (2021)
Space group: R 3 c :H
Cell volume: 1840.2
Cell parameters: 8.4006; 8.4006; 30.111; 90; 90; 120;

COD ID: 2243892

Formula: - H12 Li Na3 O14 S2 -
Comments: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH Acta Crystallographica Section E 77(9) (2021)
Space group: R 3 c :H
Cell volume: 1856.7
Cell parameters: 8.426; 8.426; 30.197; 90; 90; 120;

COD ID: 2243893

Formula: - H12 Li Na3 O14 S2 -
Comments: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH Acta Crystallographica Section E 77(9) (2021)
Space group: R 3 c :H
Cell volume: 1862.4
Cell parameters: 8.4337; 8.4337; 30.235; 90; 90; 120;

COD ID: 2243894

Formula: - H12 Li Na3 O14 S2 -
Comments: Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH Acta Crystallographica Section E 77(9) (2021)
Space group: R 3 c :H
Cell volume: 1879
Cell parameters: 8.457; 8.457; 30.33; 90; 90; 120;

COD ID: 2300118
CIF file Original IUCr paper	Formula: - C H5 Cl Mg2 O6 - Comments: Sugimoto, Kunihisa; Dinnebier, Robert E.; Schlecht, Thomas Chlorartinite, a volcanic exhalation product also found in industrial magnesia screed Journal of Applied Crystallography 39(5) (2006) 739-744 Space group: R 3 c :H Cell volume: 3350.84 Cell parameters: 23.14422; 23.14422; 7.22333; 90; 90; 120;

COD ID: 2300665
CIF file	Formula: - Li Nb O3 - Comments: Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C. X-ray diffraction using focused-ion-beam-prepared single crystals Journal of Applied Crystallography 53(3) (2020) 614 Space group: R 3 c :H Cell volume: 318.741 Cell parameters: 5.1505; 5.1505; 13.8742; 90; 90; 120;

COD ID: 2300666
CIF file	Formula: - Li Nb O3 - Comments: Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C. X-ray diffraction using focused-ion-beam-prepared single crystals Journal of Applied Crystallography 53(3) (2020) 614 Space group: R 3 c :H Cell volume: 318.713 Cell parameters: 5.1513; 5.1513; 13.8687; 90; 90; 120;

COD ID: 2300667
CIF file	Formula: - Li Nb O3 - Comments: Weigel, Tina; Funke, Claudia; Zschornak, Matthias; Behm, Thomas; Stöcker, Hartmut; Leisegang, Tilmann; Meyer, Dirk C. X-ray diffraction using focused-ion-beam-prepared single crystals Journal of Applied Crystallography 53(3) (2020) 614 Space group: R 3 c :H Cell volume: 318.757 Cell parameters: 5.1516; 5.1516; 13.869; 90; 90; 120;

COD ID: 2311013
CIF file	Formula: - O5 P2 - Comments: Cruickshank, D.W.J. Refinements of structures containing bonds between Si, P, S or Cl and O or N. V. P4 O10 Acta Crystallographica (1,1948-23,1967) 17 (1964) 677-679 Space group: R 3 c :H Cell volume: 1216.37 Cell parameters: 10.2; 10.2; 13.5; 90; 90; 120;

COD ID: 2311704

Formula: - Li Nb O3 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 317.84
Cell parameters: 5.146; 5.146; 13.859; 90; 90; 120;

COD ID: 2311705

Formula: - Li Nb0.7 O3 Ta0.3 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 317.3
Cell parameters: 5.145; 5.145; 13.841; 90; 90; 120;

COD ID: 2311706

Formula: - Li Nb0.47 O3 Ta0.53 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 317.39
Cell parameters: 5.147; 5.147; 13.834; 90; 90; 120;

COD ID: 2311707

Formula: - Li Nb0.4 O3 Ta0.6 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 316.56
Cell parameters: 5.147; 5.147; 13.798; 90; 90; 120;

COD ID: 2311708

Formula: - Li Nb0.36 O3 Ta0.64 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 316.53
Cell parameters: 5.149; 5.149; 13.786; 90; 90; 120;

COD ID: 2311709

Formula: - Li Nb0.11 O3 Ta0.89 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 316.55
Cell parameters: 5.151; 5.151; 13.776; 90; 90; 120;

COD ID: 2311710

Formula: - Li Nb0.08 O3 Ta0.92 -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 316.42
Cell parameters: 5.149; 5.149; 13.781; 90; 90; 120;

COD ID: 2311711

Formula: - Li O3 Ta -
Comments: Huband, S.; Keeble, D. S.; Zhang, N.; Glazer, A. M.; Bartasyte, A.; Thomas, P. A. Crystallographic and optical study of LiNb1 - xTaxO3. Acta crystallographica Section B, Structural science, crystal engineering and materials 73(Pt 3) (2017) 498-506
Space group: R 3 c :H
Cell volume: 315.97
Cell parameters: 5.148; 5.148; 13.767; 90; 90; 120;

COD ID: 3000098
CIF file	Formula: - B2 Ba O4 - Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93 Space group: R 3 c :H Cell volume: 1728.38 Cell parameters: 12.5269; 12.5269; 12.7181; 90; 90; 120;

COD ID: 3000099
CIF file	Formula: - B2 Ba O4 - Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93 Space group: R 3 c :H Cell volume: 1771.6 Cell parameters: 12.5517; 12.5517; 12.985; 90; 90; 120;

COD ID: 3000100
CIF file	Formula: - B2 Ba O4 - Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93 Space group: R 3 c :H Cell volume: 1753.7 Cell parameters: 12.5806; 12.5806; 12.7947; 90; 90; 120;

COD ID: 3000101
CIF file	Formula: - B2 Ba O4 - Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93 Space group: R 3 c :H Cell volume: 1747.2 Cell parameters: 12.5685; 12.5685; 12.7714; 90; 90; 120;

COD ID: 3000102
CIF file	Formula: - B2 Ba O4 - Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93 Space group: R 3 c :H Cell volume: 1748.3 Cell parameters: 12.582; 12.582; 12.7519; 90; 90; 120;

COD ID: 3000103
CIF file	Formula: - B2 Ba O4 - Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93 Space group: R 3 c :H Cell volume: 1745.4 Cell parameters: 12.5828; 12.5828; 12.7291; 90; 90; 120;

COD ID: 3000104
CIF file	Formula: - B2 Ba O4 - Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93 Space group: R 3 c :H Cell volume: 1743.7 Cell parameters: 12.5868; 12.5868; 12.709; 90; 90; 120;

COD ID: 3000105
CIF file	Formula: - B2 Ba O4 - Comments: Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals 7(3) (2017) 93 Space group: R 3 c :H Cell volume: 1732.02 Cell parameters: 12.5761; 12.5761; 12.6453; 90; 90; 120;

COD ID: 4000210
CIF file	Formula: - B6 Gd H3 O12 - Comments: Li, Linyan; Lu, Peichao; Wang, Yaoyang; Jin, Xianglin; Li, Guobao; Wang, Yingxia; You, Liping; Lin, Jianhua Synthesis of Rare Earth Polyborates Using Molten Boric Acid as a Flux Chemistry of Materials 14(12) (2002) 4963-4968 Space group: R 3 c :H Cell volume: 1270.8 Cell parameters: 8.405; 8.405; 20.771; 90; 90; 120;

COD ID: 4002369

Formula: - Al Bi O3 -
Comments: Belik, A.A.; Wuernisha, T.; Nagai, T.; Mori, K.; Maie, M.; Kamiyama, T.; Matsui, Y.; Takayama-Muromachi, E. High-pressure synthesis, crystal structures, and properties of perovskite-like Bi Al O3 and pyroxene-like Bi Ga O3 Chemistry of Materials (1,1989-) 18 (2006) 133-139
Space group: R 3 c :H
Cell volume: 335.159
Cell parameters: 5.37546; 5.37546; 13.39334; 90; 90; 120;

COD ID: 4002454
CIF file	Formula: - Ca9 D Fe O28 P7 - Comments: Belik, A.A.; Stefanovich, S.Yu.; Izumi, F.; Lazoryak, B.I.; Oikawa, K. Chemical and structural properties of a whitlockite-like phosphate, Ca9 Fe D (P O4)7 Chemistry of Materials (1,1989-) 15 (2003) 1399-1400 Space group: R 3 c :H Cell volume: 3457.28 Cell parameters: 10.36921; 10.36921; 37.1289; 90; 90; 120;

COD ID: 4002455
CIF file	Formula: - Ca9.333 Fe1.167 O28 P7 - Comments: Belik, A.A.; Izumi, F.; Lazoryak, B.I.; Stefanovich, S.Yu.; Oikawa, K. Chemical and structural properties of a whitlockite-like phosphate,Ca9 Fe D (P O4)7 Chemistry of Materials (1,1989-) 15 (2003) 1399-1400 Space group: R 3 c :H Cell volume: 3450.84 Cell parameters: 10.3576; 10.3576; 37.1429; 90; 90; 120;

COD ID: 4002575
CIF file	Formula: - Ce4 S12 Si3 - Comments: Gauthier, G.; Jobic, S.; Evain, M.; Koo, H.-J.; Brec, R.; Whangbo Myunghwan; Fouassier, C. Syntheses, structures and optical properties of yellow Ce2 Si S5, Ce6 Si4 S17 and Ce4 Si3 S12 materials Chemistry of Materials (1,1989-) 15 (2003) 828-837 Space group: R 3 c :H Cell volume: 2545.42 Cell parameters: 19.1745; 19.1745; 7.9943; 90; 90; 120;

COD ID: 4002716

Formula: - C4 H10 N2 O6 Zn -
Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264
Space group: R 3 c :H
Cell volume: 1263.75
Cell parameters: 8.0764; 8.0764; 22.3715; 90; 90; 120;

COD ID: 4002717

Formula: - C4 H10 N2 O6 Zn -
Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264
Space group: R 3 c :H
Cell volume: 1253.59
Cell parameters: 8.0633; 8.0633; 22.2638; 90; 90; 120;

COD ID: 4002719

Formula: - C4 H10 Mg N2 O6 -
Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264
Space group: R 3 c :H
Cell volume: 1269.59
Cell parameters: 8.0379; 8.0379; 22.6907; 90; 90; 120;

COD ID: 4002720

Formula: - C4 H10 Mg N2 O6 -
Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264
Space group: R 3 c :H
Cell volume: 1262.44
Cell parameters: 8.0249; 8.0249; 22.6361; 90; 90; 120;

COD ID: 4002723

Formula: - C4 H10 Mn N2 O6 -
Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264
Space group: R 3 c :H
Cell volume: 1340.1
Cell parameters: 8.2117; 8.2117; 22.9478; 90; 90; 120;

COD ID: 4002724

Formula: - C4 H10 Mn N2 O6 -
Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264
Space group: R 3 c :H
Cell volume: 1335.07
Cell parameters: 8.2091; 8.2091; 22.8761; 90; 90; 120;

COD ID: 4002726

Formula: - C4 H10 Fe N2 O6 -
Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264
Space group: R 3 c :H
Cell volume: 1289.55
Cell parameters: 8.1171; 8.1171; 22.5999; 90; 90; 120;

COD ID: 4002727

Formula: - C4 H10 Fe N2 O6 -
Comments: Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks Chemistry of Materials 29(5) (2017) 2264
Space group: R 3 c :H
Cell volume: 1284.35
Cell parameters: 8.112; 8.112; 22.5371; 90; 90; 120;

COD ID: 4003246
CIF file	Formula: - C12 H36 Bi Cl6 N3 - Comments: Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation Chemistry of Materials 28(12) (2016) 4421 Space group: R 3 c :H Cell volume: 3574.3 Cell parameters: 14.699; 14.699; 19.102; 90; 90; 120;

COD ID: 4003247
CIF file	Formula: - C12 H36 Bi Br0.81 Cl5.19 N3 - Comments: Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation Chemistry of Materials 28(12) (2016) 4421 Space group: R 3 c :H Cell volume: 3607 Cell parameters: 14.739; 14.739; 19.17; 90; 90; 120;

COD ID: 4003248
CIF file	Formula: - C12 H36 Bi Br1.53 Cl4.47 N3 - Comments: Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation Chemistry of Materials 28(12) (2016) 4421 Space group: R 3 c :H Cell volume: 3653 Cell parameters: 14.796; 14.796; 19.268; 90; 90; 120;

COD ID: 4003249
CIF file	Formula: - C12 H36 Bi Br2.31 Cl3.69 N3 - Comments: Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation Chemistry of Materials 28(12) (2016) 4421 Space group: R 3 c :H Cell volume: 3697 Cell parameters: 14.848; 14.848; 19.363; 90; 90; 120;

COD ID: 4003250
CIF file	Formula: - C12 H36 Bi Br5.08 Cl0.92 N3 - Comments: Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation Chemistry of Materials 28(12) (2016) 4421 Space group: R 3 c :H Cell volume: 3864 Cell parameters: 15.076; 15.076; 19.631; 90; 90; 120;

COD ID: 4003251
CIF file	Formula: - C12 H36 Bi Br6 N3 - Comments: Zheng, Xiaoxin; Liu, Yang; Liu, Guangfeng; Liu, Jie; Ye, Xin; Han, Quanxiang; Ge, Chao; Tao, Xutang Crystalline Mixed Halide Halobismuthates and Their Induced Second Harmonic Generation Chemistry of Materials 28(12) (2016) 4421 Space group: R 3 c :H Cell volume: 3931 Cell parameters: 15.166; 15.166; 19.733; 90; 90; 120;

COD ID: 4003472

Formula: - Fe0.09 Li0.82 Mn0.18 Nb0.91 O3 -
Comments: Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure Chemistry of Materials (2020)
Space group: R 3 c :H
Cell volume: 321.716
Cell parameters: 5.17589; 5.17589; 13.86668; 90; 90; 120;

COD ID: 4003473

Formula: - Fe0.28 Li0.43 Mn0.57 Nb0.72 O3 -
Comments: Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure Chemistry of Materials (2020)
Space group: R 3 c :H
Cell volume: 330.154
Cell parameters: 5.23421; 5.23421; 13.915; 90; 90; 120;

COD ID: 4003474

Formula: - Fe0.23 Li0.54 Mn0.46 Nb0.77 O3 -
Comments: Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure Chemistry of Materials (2020)
Space group: R 3 c :H
Cell volume: 328.686
Cell parameters: 5.22485; 5.22485; 13.9028; 90; 90; 120;

COD ID: 4003475

Formula: - Fe0.17 Li0.67 Mn0.33 Nb0.83 O3 -
Comments: Han, Yifeng; Zhu, Chuanhui; Peng, Yi; Li, Shufang; Wu, MeiXia; Zhao, Shuang; Deng, Zheng; Jin, Changqing; Du, Wei; Walker, David; Li, Man-Rong Above-Room-Temperature LiNbO3-Type Polar Magnet Stabilized by Chemical and Physical Pressure Chemistry of Materials (2020)
Space group: R 3 c :H
Cell volume: 324.582
Cell parameters: 5.19699; 5.19699; 13.87683; 90; 90; 120;

COD ID: 4022411
CIF file	Formula: - C40 H31 Cl3 N6 - Comments: Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers Journal of Organic Chemistry 68 (2003) 8291-8304 Space group: R 3 c :H Cell volume: 5166 Cell parameters: 25.217; 25.217; 9.38; 90; 90; 120;

COD ID: 4023449

Formula: - C12 H10 F3 N O5 S -
Comments: Zhenglai Fang; Yunlong Song; Taradas Sarkar; Ernest Hamel; William E. Fogler; Gregory E. Agoston; Phillip E. Fanwick; Mark Cushman Stereoselective Synthesis of 3,3-Diarylacrylonitriles as Tubulin Polymerization Inhibitors Journal of Organic Chemistry 73 (2008) 4241-4244
Space group: R 3 c :H
Cell volume: 6529.8
Cell parameters: 31.351; 31.351; 7.6711; 90; 90; 120;

COD ID: 4026748
CIF file	Formula: - C8 H14 Br N O - Comments: Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol Journal of Organic Chemistry 76 (2011) 9536-9541 Space group: R 3 c :H Cell volume: 4259.3 Cell parameters: 21.759; 21.759; 10.388; 90; 90; 120;

COD ID: 4027457
CIF file	Formula: - C30.33 H37.67 Br2 Fe N3 O1.33 - Comments: Timothy K. Lane; Brendan R. D'Souza; Janis Louie Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides Journal of Organic Chemistry 77 (2012) 7555-7563 Space group: R 3 c :H Cell volume: 13615.6 Cell parameters: 24.4458; 24.4458; 26.3085; 90; 90; 120;

COD ID: 4027819

Formula: - Ag4 As4 F24 N18 O20 S28 -
Comments: Jones, P.G.; Thomas, M.; Pinkert, W.; Roesky, H.W.; Sheldrick, G.M. Preparation and Crystal and Molecular Structure of a Polymeric Bis(sulphinylnitrilo)sulphur Complex of Silver(I): (Ag4(N S O)2)9)(As F6)4 * S O2 Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1983 (1983) 1211-1213
Space group: R 3 c :H
Cell volume: 10368.3
Cell parameters: 18.249; 18.249; 35.95; 90; 90; 120;

COD ID: 4031571

Formula: - Bi5 Cl12 Ga3 -
Comments: Lindsjoe, M.; Kloo, L.; Fischer, A. Improvements of and insights into the isolation of bismuth polycations from benzene solution - single-crystal structure determinations of Bi8 [Ga Cl4]2 and Bi5 [Ga Cl4]3 European Journal of Inorganic Chemistry 2005 (2005) 670-675
Space group: R 3 c :H
Cell volume: 3623.01
Cell parameters: 11.814; 11.814; 29.974; 90; 90; 120;

COD ID: 4032274
CIF file	Formula: - C6 H16 Br N O3 - Comments: Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K. Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings. The Journal of organic chemistry 82(4) (2017) 1996-2003 Space group: R 3 c :H Cell volume: 1395.13 Cell parameters: 8.3516; 8.3516; 23.0965; 90; 90; 120;

COD ID: 4035126

Formula: - C229 H355 Cl3 N30 O40 P4 -
Comments: Gillen, Dermot M.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur Solution-State Anion Recognition, and Structural Studies, of a Series of Electron-Rich meta-Phenylene Bis(phenylurea) Receptors and Their Self-Assembled Structures. The Journal of organic chemistry 83(17) (2018) 10398-10408
Space group: R 3 c :H
Cell volume: 18031.7
Cell parameters: 22.011; 22.011; 42.9761; 90; 90; 120;

COD ID: 4060711

Formula: - C21 H44 N4 Si4 -
Comments: Shutov, Pavel L.; Sorokin, Denis A.; Karlov, Sergey S.; Harms, Klaus; Oprunenko, Yuri F.; Churakov, Andrei V.; Antipin, Mikhail Yu.; Zaitseva, Galina S.; Lorberth, Jörg Azametallatranes of Group 14 Elements. Syntheses and X-ray Studies Organometallics 22(3) (2003) 516-522
Space group: R 3 c :H
Cell volume: 12368.9
Cell parameters: 20.3499; 20.3499; 34.489; 90; 90; 120;

COD ID: 4060712

Formula: - C21 H44 Ge N4 Si3 -
Comments: Shutov, Pavel L.; Sorokin, Denis A.; Karlov, Sergey S.; Harms, Klaus; Oprunenko, Yuri F.; Churakov, Andrei V.; Antipin, Mikhail Yu.; Zaitseva, Galina S.; Lorberth, Jörg Azametallatranes of Group 14 Elements. Syntheses and X-ray Studies Organometallics 22(3) (2003) 516-522
Space group: R 3 c :H
Cell volume: 12494.4
Cell parameters: 20.381; 20.381; 34.7323; 90; 90; 120;

COD ID: 4061146
CIF file	Formula: - C12 H10 N P - Comments: Organometallics (2004) Space group: R 3 c :H Cell volume: 3411 Cell parameters: 18.762; 18.762; 11.19; 90; 90; 120;

COD ID: 4068510
CIF file	Formula: - C29 H38.67 Cl2 O2.83 Os P3 - Comments: Gong, Lei; Lin, Yumei; Wen, Ting Bin; Xia, Haiping Synthesis of Coordinated η2-α,β-Unsaturated Ketone Osmacycles from an Osmium-Coordinated Alkyne Alcohol Complex Organometallics 28(4) (2009) 1101 Space group: R 3 c :H Cell volume: 16026 Cell parameters: 26.911; 26.911; 25.553; 90; 90; 120;

COD ID: 4070057

Formula: - C24 H57 Cu I4 N9 O3 P3 -
Comments: Kirillov, Alexander M.; Smoleński, Piotr; Ma, Zhen; da Silva, M. Fátima C. Guedes; Haukka, Matti; Pombeiro, Armando J. L. Copper(I) Iodide Complexes Derived fromN-Alkyl-1,3,5-triaza-7-phosphaadamantanes: Synthesis, Crystal Structures, Photoluminescence, and Identification of the Unprecedented {Cu3I5}2−Cluster Organometallics 28(22) (2009) 6425
Space group: R 3 c :H
Cell volume: 5871.3
Cell parameters: 21.059; 21.059; 15.2873; 90; 90; 120;

COD ID: 4070062
CIF file	Formula: - C24 H57 Cu I4 N9 O3 P3 - Comments: Vicente, José; Shenoy, Rashmi V.; Martínez-Viviente, Eloísa; Jones, Peter G. Synthesis of Mono-, Di-, and Tripalladated 1,3,5-Benzenetricarboxaldehyde Complexes Organometallics 28(20) (2009) 6101 Space group: R 3 c :H Cell volume: 5871.3 Cell parameters: 21.059; 21.059; 15.2873; 90; 90; 120;

COD ID: 4072667
CIF file	Formula: - C12 H8 K N - Comments: Dinnebier, Robert; Esbak, Hoda; Olbrich, Falk; Behrens, Ulrich Structure Determination of Unsolvated Potassium, Rubidium, and Cesium Carbazolates Organometallics 26(10) (2007) 2604 Space group: R 3 c :H Cell volume: 4269.2 Cell parameters: 25.0827; 25.0827; 7.83554; 90; 90; 120;

COD ID: 4072668
CIF file	Formula: - C12 H8 N Rb - Comments: Dinnebier, Robert; Esbak, Hoda; Olbrich, Falk; Behrens, Ulrich Structure Determination of Unsolvated Potassium, Rubidium, and Cesium Carbazolates Organometallics 26(10) (2007) 2604 Space group: R 3 c :H Cell volume: 4402.3 Cell parameters: 24.9084; 24.9084; 8.1932; 90; 90; 120;

COD ID: 4073474
CIF file	Formula: - C42 H63 Br3 Ca3 Mg O7 - Comments: Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias Syntheses and Structure of the Solvent-Separated Calcium Cuprate [(thf)3Ca(μ-Ph)3Ca(thf)3]+[Ph−Cu−Ph]- Organometallics 26(14) (2007) 3269 Space group: R 3 c :H Cell volume: 7285.1 Cell parameters: 19.501; 19.501; 22.1204; 90; 90; 120;

COD ID: 4074615

Formula: - C62 H64.33 Cl0.67 Cu F2 N0 O3.83 P4 Pt Sb0.33 -
Comments: Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane) Organometallics 25(3) (2006) 580
Space group: R 3 c :H
Cell volume: 30375.5
Cell parameters: 22.7865; 22.7865; 67.5519; 90; 90; 120;

COD ID: 4074953

Formula: - C44 H41 F24 N3 P4 Ru4 -
Comments: Hermatschweiler, René; Fernández, Ignacio; Pregosin, Paul S.; Breher, Frank Catalytic Allylic Alkylation and Allylic Phenolation Reactions with Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF Intermediate, [Ru(Cp*)(Cl)(η3-C3H5)(DMF)](PF6), and a New Tetranuclear Salt, [Ru(Cp){Ru(Cp)(η6-p-CH3C6H4CN)}3](PF6)4 Organometallics 25(6) (2006) 1440-1447
Space group: R 3 c :H
Cell volume: 8054.2
Cell parameters: 17.5476; 17.5476; 30.2034; 90; 90; 120;

COD ID: 4077621