Crystallography Open Database

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1534962 CIFAs N9P 1 21/c 17.3263; 11.7162; 6.9865
90; 107.219; 90
572.818Haiges, R.; Vij, A.; Schneider, S.; Boatz, J.A.; Schroer, T.; Gerken, M.; Christe, K.O.
First Structural Characterization of Binary AsIII and SbIII Azides
Chemistry - A European Journal, 2004, 10, 508-517
1535138 CIFH6 Mn3 O12 S2P b c m7.2852; 9.9568; 13.2519
90; 90; 90
961.257Ben Salah, M.; Vilminot, S.; Kurmoo, M.; Bouree-Vigneron, F.; Richard-Plouet, M.; Gilles, A.; Mhiri, T.
Synthesis, nuclear, and magnetic structures and magnetic properties of (Mn3 (O H)2 (S O4)2 (H2 O)2)
Chemistry - A European Journal, 2004, 10, 2048-2057
1535148 CIFAs Cu F7I m m a10.732; 6.941; 6.814
90; 90; 90
507.58Mazej, Z.; Arcon, I.; Benkic, P.; Tressaud, A.; Kodre, A.
Compressed octahedral coordination in chain compounds containing divalent copper: Structure and magnetic properties of CuFAsF6 and CsCuAlF6
Chemistry - A European Journal, 2004, 10, 5052-5058
1535230 CIFH9 O15 P3 Zn2.5P -18.475; 9.869; 9.889
112.06; 111.97; 96.99
677.004Herschke, L.; Enkelmann, V.; Lieberwirth, I.; Wegner, G.
The role of hydrogen bonding in the crystal structures of zinc phosphate hydrates
Chemistry - A European Journal, 2004, 10, 2795-2803
1535313 CIFCu9 H63 K12.75 N12 Na4.5 O126 Si3 W24R 3 c :H18.374; 18.374; 63.6678
90; 90; 120
18614.8Mialane, 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, 2005, 11, 1771-1778
1535316 CIFCs11 Cu4 H56 K0.5 N12 Na0.5 O100.5 Si2 W20P 1 21/c 111.9946; 19.0711; 23.455
90; 99.761; 90
5287.67Mialane, P.; Dolbecq, A.; Marrot, J.; Secheresse, F.; Riviere, E.
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, 2005, 11, 1771-1778
1535475 CIFHg K2 Se4 SnI -4 2 m8.0681; 8.0681; 6.9497
90; 90; 90
452.385Brandmayer, M.K.; Clerac, R.; Weigend, F.; Dehnen, S.
Ortho-Chalcogenostannates as Ligands: Syntheses, Crystal Structures, Electronic Properties, and Magnetism of Novel Compounds Containing Ternary Anionic Substructures [M4(4-Se)(SnSe4)4]10- (M=Mn, Zn, Cd, Hg), {[Hg4(4-Se)(SnSe4)3]6-}, or {[HgSnSe4]2-}
Chemistry - A European Journal, 2004, 10, 5147-5157
1535570 CIFBi11.2 Cs0.65 Pb3.8 Se21C 1 2/m 132.3219; 4.1715; 17.57039
90; 112.69; 90
2185.68Mrotzek, A.; Chung, D.-Y.; Ghelani, N.; Kanatzidis, M.G.; Hogan, T.
Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A= K, Rb, Cs; M= Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)
Chemistry - A European Journal, 2001, 7, 1915-1926
1535573 CIFBi12.71 K1.46 Pb1.57 Se21C 1 2/m 131.883; 4.1863; 17.387
90; 112.098; 90
2150.2Mrotzek, A.; Chung, D.-Y.; Hogan, T.; Kanatzidis, M.G.; Ghelani, N.
Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)
Chemistry - A European Journal, 2001, 7, 1915-1926
1535576 CIFBi11.46 K0.54 Se21 Sn3.54C 1 2/m 131.91; 4.1462; 17.311
90; 112.064; 90
2122.6Mrotzek, A.; Chung, D.-Y.; Kanatzidis, M.G.; Hogan, T.; Ghelani, N.
Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous Series Km (M6 Se8)m (M5+n Se9+n)
Chemistry - A European Journal, 2001, 7, 1915-1926
1535580 CIFBi12.52 Pb2.48 Rb0.69 Se21C 1 2/m 131.991; 4.1937; 17.481
90; 112.519; 90
2166.44Mrotzek, A.; Hogan, T.; Ghelani, N.; Chung, D.-Y.; Kanatzidis, M.G.
Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)
Chemistry - A European Journal, 2001, 7, 1915-1926
1535602 CIFIr36.22 Zn369.79F -4 3 m18.214; 18.214; 18.214
90; 90; 90
6042.49Hornfeck, W.; Lee, S.; Thimmaiah, S.; Harbrecht, B.
Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)
Chemistry - A European Journal, 2004, 10, 4616-4626
1535605 CIFIr38.35 Zn367.3F -4 3 m18.224; 18.224; 18.224
90; 90; 90
6052.45Hornfeck, W.; Thimmaiah, S.; Harbrecht, B.; Lee, S.
Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)
Chemistry - A European Journal, 2004, 10, 4616-4626
1535607 CIFIr43.96 Zn358.94F -4 3 m18.224; 18.224; 18.224
90; 90; 90
6052.45Hornfeck, W.; Thimmaiah, S.; Lee, S.; Harbrecht, B.
Structure-composition relations for the Hume-Rothery phase Ir(7+7delta) Zn(97-11delta) (0.31 < delta < 0.58)
Chemistry - A European Journal, 2004, 10, 4616-4626
1535833 CIFC2 K N3P b c m8.36518; 6.46898; 7.21266
90; 90; 90
390.307Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535837 CIFC2 K N3P 1 21/n 17.26924; 15.96335; 3.87037
90; 111.878; 90
416.777Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535841 CIFC2 K N3P n m a8.55404; 3.87802; 12.5273
90; 90; 90
415.565Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535845 CIFC6 K3 N9P 1 21/c 13.73823; 11.9248; 25.0044
90; 101.406; 90
1092.62Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535848 CIFC2 N3 RbP b c m8.56092; 6.61711; 7.65067
90; 90; 90
433.399Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535851 CIFC2 N3 RbC 1 2/c 113.8156; 10.00018; 14.43275
90; 116.896; 90
1778.31Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1535855 CIFC6 N9 Rb3P 1 21/c 13.89927; 12.2606; 25.4745
90; 98.741; 90
1203.72Irran, E.; Juergens, B.; Schnick, W.
Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry
Chemistry - A European Journal, 2001, 7, 5372-5381
1536074 CIFGa38.9 V8 Zn2.1R -3 :H13.9244; 13.9244; 14.866
90; 90; 120
2496.19Viklund, P.; Haeussermann, U.; Hull, S.; Svensson, C.; Berastegui, P.; Simak, S.I.
The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework
Chemistry - A European Journal, 2001, 7, 5143-5152
1536077 CIFCo3 D4 H80 Na12 O110 W19 Zn2P 1 21/c 113.0749; 17.817; 24.205
90; 119.047; 90
4929.46Clemente-Juan, J.M.; Guedel, H.U.; Coronado, E.; Gaita-Arino, A.; Gimenez-Saiz, C.; Chaboussant, G.; Burriel, R.; Mutka, H.
Magnetism in polyoxometalates: Anisotropic exchange interactions in the Co moiety of [Co3 W (D2 O)2 (Zn W9 O34)2]12- - A magnetic and inelastic neutron scattering study
Chemistry - A European Journal, 2002, 8, 5701-5708
1536078 CIFGa41 V8R -3 :H13.9351; 13.9351; 14.8828
90; 90; 120
2502.85Viklund, P.; Svensson, C.; Haeussermann, U.; Simak, S.I.; Hull, S.; Berastegui, P.
The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework
Chemistry - A European Journal, 2001, 7, 5143-5152
1536081 CIFCr8 Ga29.8 Zn11.2R -3 :H13.7153; 13.7153; 14.6872
90; 90; 120
2392.66Viklund, P.; Simak, S.I.; Svensson, C.; Hull, S.; Berastegui, P.; Haeussermann, U.
The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework
Chemistry - A European Journal, 2001, 7, 5143-5152
1536095 CIFTa97 Te60P 21 21 2127.627; 27.627; 20.613
90; 90; 90
15732.9Conrad, M.; Harbrecht, B.
Ta97 Te60: a crystalline approximant of a tantalum telluride quasicrystal with twelvefold rotational symmetry
Chemistry - A European Journal, 2000, 8, 3094-3102
1536096 CIFAs3.3 Cu8 I8 P8.7P 1 21/c 115.309; 13.057; 15.305
90; 115.75; 90
2755.52Jayasekera, B.; Lo, A.Y.H.; Brock, S.L.; Schurko, R.W.; Nazri, G.A.
Structure-property correlations in solid solutions of (Cu I)8 P(12-x) As(x), 2.4 <= x <= 6.6
Chemistry - A European Journal, 2005, 11, 3762-3772
1536176 CIFBa P4 Te2P n m a16.486; 6.484; 7.076
90; 90; 90
756.391Joergens, S.; Johrendt, D.; Mewis, A.
Ba P4 Te2 - A ternary telluride with P-Te bonds and a structural fragment of black phosphorus
Chemistry - A European Journal, 2003, 9, 2405-2410
1536387 CIFIn4 La NiC m c m4.482; 16.895; 7.221
90; 90; 90
546.799Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.
New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4
Chemistry - A European Journal, 2001, 7, 5343-5349
1536390 CIFIn5.64 La Ni7.36I b a m8.066; 9.248; 12.465
90; 90; 90
929.819Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.
New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4
Chemistry - A European Journal, 2001, 7, 5343-5349
1536437 CIFC2 O6 Rb2P 1 21/c 17.91288; 10.51173; 7.55593
90; 102.001; 90
614.75Dinnebier, R.E.; Vensky, S.; Jansen, M.
Crystal and molecular structure of rubidium peroxodicarbonate Rb2 (C2 O6)
Chemistry - A European Journal, 2003, 9, 4391-4395
1536439 CIFC K2 O2.4999P 63/m m c5.69484; 5.69484; 7.33013
90; 90; 120
205.876Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.
Crystal Structures and Topochemical Aspects of the High-Temperature Phases and Decomposition Products of the Alkali-Metal Oxalates M2 [C2 O4] (M = K, Rb, Cs)
Chemistry - A European Journal, 2005, 11, 1119-1129
1536441 CIFC O3 Rb2P 63/m m c5.89596; 5.89596; 7.80268
90; 90; 120
234.9Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.
Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)
Chemistry - A European Journal, 2005, 11, 1119-1129
1536445 CIFC O3 Rb2P n m a7.684; 5.8912; 10.1437
90; 90; 90
459.185Dinnebier, R.E.; Hanson, J.C.; Jansen, M.; Vensky, S.
Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)
Chemistry - A European Journal, 2005, 11, 1119-1129
1536449 CIFC O3 Rb2P 1 21/c 15.8745; 10.129; 7.30725
90; 97.2921; 90
431.285Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.
Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)
Chemistry - A European Journal, 2005, 11, 1119-1129
1536486 CIFLa Se Te2C m c m4.309; 25.481; 4.321
90; 90; 90
474.436Doert, T.; Fokwa, B.P.T.; Simon, P.; Lidin, S.; Soehnel, T.
La Se Te2 - Temperature dependent structure investigation and electron holography on a charge-density-wave-hosting compound
Chemistry - A European Journal, 2003, 9, 5865-5872
1536498 CIFH47 Li3 Mo8 O40 S8 WC 1 2/m 120.6754; 11.1509; 14.5769
90; 133.865; 90
2422.98Dolbecq, A.; du Peloux, C.; Auberty, A.L.; Secheresse, F.; Barboux, P.; Mason, S.A.; Cadot, E.; Marrot, J.
Synthesis, X-ray and neutron diffraction characterization and ionic conduction properties of a new oxothiomolybdate Li3 (Mo8 S8 O8 (O H)8 (H W O5 (H2 O))) * 18(H2 O)
Chemistry - A European Journal, 2002, 8, 350-356
1536501 CIFBa4 Br2 Si3P 1 21/c 115.0402; 8.8446; 8.8017
90; 101.926; 90
1145.57Wengert, S.; Willems, J.B.; Nesper, R.
Ba4 Si3 Br2: a double salt of barium bromide and barium silicide containing a novel cyclotrisilicide unit
Chemistry - A European Journal, 2001, 7, 3209-3213
1536833 CIFNa4 O158 P4 W30 Y4P -112.8306; 14.9701; 21.702
79.23; 89.227; 86.51
4087.39Fang Xikui; Hill, C.L.; Anderson, T.M.; Benelli, C.
Polyoxometalate-supported Y- and YbIII-hydroxo/oxo clusters from carbonate-assisted hydrolysis
Chemistry - A European Journal, 2005, 11, 712-718
1536896 CIFH2 O140 P4 Ti2 W30P -112.743; 12.759; 19.77
91.843; 93.491; 105.881
3081.95Kortz, U.; Nasser, N.A.; Hamzeh, S.S.
Supramolecular Structures of Ti(IV)-Substituted Wells-Dawson Polyoxotungstates
Chemistry - A European Journal, 2003, 9, 2945-2952
1536899 CIFH6 K2 O174 P4 Ti6 W30P -125.085; 25.085; 49.367
90; 90; 90
31064.5Kortz, U.; Hamzeh, S.S.; Nasser, N.A.
Supramolecular Structures of Ti(IV)-Substituted Wells-Dawson Polyoxotungstates
Chemistry - A European Journal, 2003, 9, 2945-2952
1536929 CIFFe17.426 Yb1.787P 63/m m c8.5965; 8.5965; 8.3871
90; 90; 120
536.767Filinchuk, Y.E.; Yvon, K.; Cerny, R.; Birkedal, H.; Yanson, T.I.; Hostettler, M.; Bodak, O.I.
Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy
Chemistry - A European Journal, 2004, 10, 2972-2976
1536932 CIFFe11.21 Ga0.27 Yb1.26P 63/m m c8.5965; 8.5965; 12.5806
90; 90; 120
805.147Filinchuk, Y.E.; Birkedal, H.; Cerny, R.; Hostettler, M.; Yanson, T.I.; Bodak, O.I.; Yvon, K.
Nanoscale Chemical and Structural Inhomogeneities in a Stacking Disordered Alloy
Chemistry - A European Journal, 2004, 10, 2972-2976
1537007 CIFCu3 I3 P4 S4P 63 c m19.082; 19.082; 6.691
90; 90; 120
2109.94Reiser, S.; Brunklaus, G.; Hong, J.H.; Chan, J.C.C.; Pfitzner, A.; Eckert, H.
(Cu I)3 P4 S4: preparation, structural and NMR spectroscopic characterization of a copper(I) halide adduct with beta- (P4 S4)
Chemistry - A European Journal, 2002, 8, 4228-4233
1537087 CIFS8F d d d :210.393; 12.762; 24.436
90; 90; 90
3241.08Krossing, I.; Cameron, T.S.; Min Fang; Dionne, I.; Decken, A.; Passmore, J.
Approaching the gas phase structures of AgS8+ and AgS16+ in the solid state
Chemistry - A European Journal, 2002, 8, 3386-3401
1537097 CIFEu3 Ga4 Ge6C 1 2/m 124.136; 4.3118; 11.0169
90; 91.683; 90
1146.03Zhuraleva, M.A.; Salvador, J.; Bilc, D.; Kannewurf, C.R.; Mahanti, S.D.; Ireland, J.; Kanatzidis, M.G.
Intermetallics as zintl phases: Yb2 Ga4 Ge6 and RE3 Ga4 Ge6 (RE= Yb, Eu): Structural response of a [Ga4 Ge6]4- framework to reduction by two electrons
Chemistry - A European Journal, 2004, 10, 3197-3208
1537099 CIFGa4 Ge6 Yb2C m c 214.1698; 23.254; 10.7299
90; 90; 90
1040.42Zhuraleva, M.A.; Kannewurf, C.R.; Salvador, J.; Ireland, J.; Mahanti, S.D.; Bilc, D.; Kanatzidis, M.G.
Intermetallics as zintl phases: Yb2Ga4Ge6 and RE3Ga4Ge6 (RE= Yb, Eu): Structural response of a [Ga4Ge6]4- framework to reduction by two electrons
Chemistry - A European Journal, 2004, 10, 3197-3208
1537102 CIFGa4 Ge6 Yb3C 1 2/m 123.941; 4.1928; 10.918
90; 91.426; 90
1095.61Zhuraleva, M.A.; Salvador, J.; Bilc, D.; Mahanti, S.D.; Ireland, J.; Kanatzidis, M.G.; Kannewurf, C.R.
Intermetallics as zintl phases: Yb2Ga4Ge6 and RE3Ga4Ge6 (RE= Yb, Eu): Structural response of a [Ga4Ge6]4- framework to reduction by two electrons
Chemistry - A European Journal, 2004, 10, 3197-3208
1537280 CIFH8 Li3 Mo9 O41 S8I 4/m14.7749; 14.7749; 11.189
90; 90; 90
2442.53du Peloux, C.; Secheresse, F.; Barboux, P.; Laurent, G.; Dolbecq, A.; Marrot, J.
Octanuclear Oxothiomolybdate (V) Rings: Structure and Ionic Conducting Properties
Chemistry - A European Journal, 2004, 10, 3026-3032
1541849 CIFC4 H2 Mn N6 OA m a 27.5743; 17.45329; 5.6353
90; 90; 90
744.967Jensen, P.; Price, D.J.; Batten, S.R.; Murray, K.S.; Moubaraki, B.
Self-penetration - a structural compromise between single networks and interpenetration: magnetic properties and crystal structures of (Mn (dca)2 (H2 O)) and (M (dca) (tcm)), M = Co, Ni, Cu, dca = dicyanamide, tcm = tricyanomethanide
Chemistry - A European Journal, 2000, 6, 3186-3195

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