Crystallography Open Database

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1000070 CIFLi Nb O6 WR 3 c :H5.1562; 5.1562; 13.664
90; 90; 120
314.6Fourquet, J L; Le Bail, A; Gillet, P A
Li Nb W O~6~: Crystal structure of its two allotropic forms
Materials Research Bulletin, 1988, 23, 1163-1170
1001090 CIFBi Fe O3R 3 c :H5.5876; 5.5876; 13.867
90; 90; 120
374.9Moreau, J M; Michel, C; Gerson, R; James, W J
Ferroelectric Bi Fe O~3~ X-Ray and neutron diffraction study
Journal of Physics and Chemistry of Solids, 1971, 32, 1315-1320
1001505 CIFLi1.75 Nb1.75 O6 Te0.25R 3 c :H5.148; 5.148; 13.763
90; 90; 120
315.9Archaimbault, F; Choisnet, J; Rulmont, A; Tarte, P
Lithium defect and ordering phenomena in the new LiNbO~3~ like mixed tellurates: Li~2-x~(Zr^4+^,Nb^5+^,Te^6+^)~2~O~6~ (x<0.5)
Materials Chemistry and Physics, 1992, 30, 245-252
1004126 CIFH12 In N3 O12 S3R 3 c :H15.531; 15.531; 9.163
90; 90; 120
1914.1Jolibois, B; Laplace, G; Abraham, F; Nowogrocki, G
Monoclinic-trigonal transition in some M(I)3 M'(III) (S O4)3 compounds: The high temperature form of (N H4) In (S O4)3
Journal of Solid State Chemistry, 1981, 40, 69-74
1008224 CIFAl Bi Cl4R 3 c :H11.835; 11.835; 29.991
90; 90; 120
3638Levy, H A; Agron, P A; Danford, M D; Ellison, R D
Cell dimensions and space group of bismuth(I) chloro-aluminate.
Acta Crystallographica (1,1948-23,1967), 1961, 14, 549-550
1011161 CIFAg3 As S3R 3 c :H10.74; 10.74; 8.64
90; 90; 120
863.1Harker, D
The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3
Journal of Chemical Physics, 1936, 4, 381-390
1011162 CIFAg3 S3 SbR 3 c :H11.04; 11.04; 8.71
90; 90; 120
919.4Harker, D
The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3
Journal of Chemical Physics, 1936, 4, 381-390
1501995 CIFC33 H24 O4R 3 c :H34.4501; 34.4501; 11.2367
90; 90; 120
11549.2Chen, Zuliang; Wei, Lai; Zhang, Junliang
Lewis acid catalyzed carbon-carbon bond cleavage of aryl oxiranyl diketones: synthesis of cis-2,5-disubstituted 1,3-dioxolanes.
Organic letters, 2011, 13, 1170-1173
1502727 CIFC10 H14 N2 OR 3 c :H23.5657; 23.5657; 9.5946
90; 90; 120
4614.43Ośmiałowski, 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, 2010, 114, 10421-10426
1509133 CIFC18 H33 F6 O PR 3 c :H10.2958; 10.2958; 32.34
90; 90; 120
2968.9Gunbas, 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, 2012, 4, 1018-1023
1509751 CIFAg2.913 As S3R 3 c :H10.913; 10.913; 8.762
90; 90; 120
903.696Pawlowski, 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, 2009, 182, 451-456
1510618 CIFB2 Ba O6 ZrR 3 c :H5.167; 5.167; 33.913
90; 90; 120
784.104Gravereau, P.; Lebraud, E.; Hornebecq, V.; Chaminade, J.P.
Ba Zr (B O3)2: a non-centrosymmetric dolomite-type superstructure
Materials Research Bulletin, 2002, 37, 2165-2178
1511246 CIFB N2 PrR 3 c :H12.1144; 12.1144; 7.0126
90; 90; 120
891.279Klesnar, 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, 1992, 98, 99-104
1511659 CIFB7 Cl Fe1.43 Mg1.55 Mn0.021 O13R 3 c :H8.588; 8.588; 21.05
90; 90; 120
1344.52Schindler, 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, 1998, 36, 1195-1201
1511663 CIFB7 Co3 F O13R 3 c :H8.5309; 8.5309; 21.12
90; 90; 120
1331.11Yvon, K.; Depmeier, W.; Schmid, H.; Boutellier, R.; Berset, G.
Single Crystal X-ray Study of Rhombohedral Cobalt - Fluorine - OH -Boracite
Ferroelectrics, 1984, 56, 13-16
1511674 CIFB7 Fe3 I O13R 3 c :H8.64534; 8.64534; 21.20349
90; 90; 120
1372.47Kubel, F.
Powder diffraction refinement of cubic and rhombohedral iron iodine boracite, Fe3 B7 O13 I
Ferroelectrics, 1994, 160, 61-65
1511702 CIFB9 Ba Li O15R 3 c :H11.0223; 11.0223; 17.106
90; 90; 120
1799.8Nowogrocki, 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, 2001, 3, 1015-1023
1511704 CIFB9 Ba Na O15R 3 c :H11.0933; 11.0933; 17.392
90; 90; 120
1853.54Nowogrocki, 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, 2001, 3, 1015-1023
1511710 CIFB9 Li O15 SrR 3 c :H10.6129; 10.6129; 17.555
90; 90; 120
1712.38Nowogrocki, 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, 2001, 3, 1015-1023
1515630 CIFC30 H21 Cl3R 3 c :H24.8014; 24.8014; 6.835
90; 90; 120
3641Liu, 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, 2011, 2, 1850
1515908 CIFC12 H30 Cl2 Co N4 O4R 3 c :H9.891; 9.891; 33.183
90; 90; 120
2811Ruamps, 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, 2014, 5, 3418
1515910 CIFC12 H30 Cl2 N4 O4 ZnR 3 c :H9.9025; 9.9025; 33.1835
90; 90; 120
2818.01Ruamps, 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, 2014, 5, 3418
1516019 CIFB9 Ba Li O15R 3 c :H10.973; 10.973; 17.049
90; 90; 120
1777.8Reshak, 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, 2013, 117, 14141-14150
1517011 CIFC21 H51 N6 O84 Tm3 W12R 3 c :H16.6502; 16.6502; 51.313
90; 90; 120
12319.6Dan-Dan Liu; Ya-Guang Chen
Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property
Inorganica Chimica Acta, 2013, 401, 70-75
1517012 CIFC21 H51 N6 O87 W12 Yb3R 3 c :H16.6606; 16.6606; 51.316
90; 90; 120
12335.7Dan-Dan Liu; Ya-Guang Chen
Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property
Inorganica Chimica Acta, 2013, 401, 70-75
1517013 CIFC21 H21 Lu3 N6 O80 W12R 3 c :H16.6308; 16.6308; 51.164
90; 90; 120
12255.2Dan-Dan Liu; Ya-Guang Chen
Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property
Inorganica Chimica Acta, 2013, 401, 70-75
1517238 CIFCa3 O8 P2R 3 c :H10.4352; 10.4352; 37.4029
90; 90; 120
3527.26Kamiyama, 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, 2003, 175, 272-277
1519391 CIFC18 H54 Cl N3 Si6 ThR 3 c :H18.4298; 18.4298; 16.84
90; 90; 120
4953.5Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.
Thorium‒ligand multiple bonds via reductive deprotection of a trityl group
Chem. Sci., 2015, 6, 3891
1519393 CIFC18 H54 I N3 Si6 ThR 3 c :H18.328; 18.328; 17.356
90; 90; 120
5049Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.
Thorium‒ligand multiple bonds via reductive deprotection of a trityl group
Chem. Sci., 2015, 6, 3891
1520814 CIFCa9 Co Li O28 P7R 3 c :H10.3276; 10.3276; 37.1
90; 90; 120
3426.92Belik, 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, 1999, 34, 883-893
1520816 CIFCa9 Co Na O28 P7R 3 c :H10.3515; 10.3515; 37.073
90; 90; 120
3440.29Belik, 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, 1999, 34, 883-893
1520817 CIFCa9 Co K O28 P7R 3 c :H10.4017; 10.4017; 37.009
90; 90; 120
3467.74Belik, 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, 1999, 34, 883-893
1521772 CIFLi Nb O3R 3 c :H5.1378; 5.1378; 13.4987
90; 90; 120
308.587Postnikov, A.V.; Caciuc, V.; Borstel, G.
Structure optimization and frozen phonons in Li Nb O3
Journal of Physics and Chemistry of Solids, 2000, 61, 295-299
1525622 CIFO3 Pb0.94 Sr0.06 Ti0.4 Zr0.6R 3 c :H5.755; 5.755; 14.178
90; 90; 120
406.664Bedoya, 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, 2000, 75, 43-52
1525634 CIFCa9 O28 Tb V7R 3 c :H10.8592; 10.8592; 38.035
90; 90; 120
3884.27Belik, 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, 2000, 45, 432-437
1525635 CIFCa9 Dy O28 V7R 3 c :H10.8564; 10.8564; 38.009
90; 90; 120
3879.62Belik, 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, 2000, 45, 432-437
1525636 CIFCa9 Ho O28 V7R 3 c :H10.8565; 10.8565; 37.995
90; 90; 120
3878.26Belik, 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, 2000, 45, 432-437
1525637 CIFCa9 O28 V7 YR 3 c :H10.8588; 10.8588; 37.995
90; 90; 120
3879.9Belik, 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, 2000, 45, 432-437
1525638 CIFCa9 Nd O28 V7R 3 c :H10.872; 10.872; 38.121
90; 90; 120
3902.24Belik, 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, 2000, 45, 798-803
1525639 CIFCa9 O28 Sm V7R 3 c :H10.8652; 10.8652; 38.098
90; 90; 120
3895.01Belik, 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, 2000, 45, 798-803
1525640 CIFCa9 Gd O28 V7R 3 c :H10.8631; 10.8631; 38.072
90; 90; 120
3890.84Belik, 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, 2000, 45, 798-803
1525641 CIFCa9.812 Ce0.414 O28 V7R 3 c :H10.8552; 10.8552; 38.037
90; 90; 120
3881.62Belik, 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, 2000, 45, 798-803
1525642 CIFCa9 Er O28 V7R 3 c :H10.8554; 10.8554; 37.967
90; 90; 120
3874.61Belik, 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, 2000, 45, 976-981
1525643 CIFCa9 O28 Tm V7R 3 c :H10.855; 10.855; 37.95
90; 90; 120
3872.59Belik, 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, 2000, 45, 976-981
1525644 CIFCa9 O28 V7 YbR 3 c :H10.8564; 10.8564; 37.924
90; 90; 120
3870.94Belik, 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, 2000, 45, 976-981
1525645 CIFCa9 Lu O28 V7R 3 c :H10.8566; 10.8566; 37.88
90; 90; 120
3866.59Belik, 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, 2000, 45, 976-981
1525672 CIFCs F3 PbR 3 c :H6.84993; 6.84993; 16.1205
90; 90; 120
655.06Berastegui, P.; Eriksson, S.G.; Hull, S.
A low-temperature structural phase transition in Cs Pb F3
Journal of Physics: Condensed Matter, 2001, 13, 5077-5088
1525910 CIFO3 Pb Ti0.4 Zr0.6R 3 c :H5.756; 5.756; 14.242
90; 90; 120
408.642Dmowski, W.; Egami, T.; Farber, L.; Davies, P.K.
Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary
AIP Conference Proceedings, 2001, 582, 33-44
1526053 CIFCa9.95 Li1.05 O28 P7R 3 c :H10.4203; 10.4203; 37.3895
90; 90; 120
3515.93Morozov, 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, 2000, 45, 19-26
1526055 CIFCa10 Na O28 P7R 3 c :H10.4391; 10.4391; 37.30959
90; 90; 120
3521.09Morozov, 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, 2000, 45, 19-26

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