Crystallography Open Database

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1537112 CIFLa4.88 Ni12 Sn24I m -311.9662; 11.9662; 11.9662
90; 90; 90		1713.44Zhuravleva, M.A.; Bilc, D.; Kanatzidis, M.G.; Mahanti, S.D.
Single crystal X-ray structure investigation and electronic structure studies of la-deficient nickel stannide La4.87 Ni12 Sn24 grown from Sn flux
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 327-334
1537500 CIFCu3 Na0.82 O12 V4I m -37.25173; 7.25173; 7.25173
90; 90; 90		381.351Kadyrova, N.I.; Tyutyunnik, A.P.; Zubkov, V.G.; Volkov, V.L.; Zakharova, G.S.; D'yachkova, T.V.; Zainulin, Yu.G.
Thermobaric synthesis and crystal structure of new compounds, Na Cu3 V4 O12 and Ca Cu3 V4 O12
Zhurnal Neorganicheskoi Khimii, 2003, 48, 1941-1946
1537501 CIFCa Cu3 O12 V4I m -37.28453; 7.28453; 7.28453
90; 90; 90		386.549Kadyrova, N.I.; Zakharova, G.S.; Tyutyunnik, A.P.; Zubkov, V.G.; Volkov, V.L.; D'yachkova, T.V.; Zainulin, Yu.G.
Thermobaric synthesis and crystal structure of new compounds, Na Cu3 V4 O12 and Ca Cu3 V4 O12
Zhurnal Neorganicheskoi Khimii, 2003, 48, 1941-1946
1538030 CIFO4 Pt3I m -36.238; 6.238; 6.238
90; 90; 90		242.737Galloni, E.E.; Roffo, A.E.jr.
The crystalline structure of Pt3 O4
Journal of Chemical Physics, 1941, 9, 875-877
1540765 CIFC60 K6I m -311.39; 11.39; 11.39
90; 90; 90		1477.65Zhou, O.; Cox, D.E.
Structures of C60 intercalation compounds
Journal of Physics and Chemistry of Solids, 1992, 53, 1373-1390
1540766 CIFC60 Rb6I m -311.54; 11.54; 11.54
90; 90; 90		1536.8Zhou, O.; Cox, D.E.
Structures of C60 intercalation compounds
Journal of Physics and Chemistry of Solids, 1992, 53, 1373-1390
1540769 CIFC10 CsI m -311.79; 11.79; 11.79
90; 90; 90		1638.86Zhou, O.; Cox, D.E.
Structures of C60 intercalation compounds
Journal of Physics and Chemistry of Solids, 1992, 53, 1373-1390
1541754 CIFH3.4 N0.8 O3 SbI m -39.551; 9.551; 9.551
90; 90; 90		871.258Hamedi, O.M.; Besse, J.P.; Baud, G.; Chevalier, R.
Conducteurs Protonique a l'Ammonium de Type K Sb O3 Cubique
Materials Research Bulletin, 1984, 19, 487-501
1541756 CIFH1.96 N0.32 O3 SbI m -39.488; 9.488; 9.488
90; 90; 90		854.13Hamedi, O.M.; Besse, J.P.; Baud, G.; Chevalier, R.
Conducteurs Protonique a l'Ammonium de Type K Sb O3 Cubique
Materials Research Bulletin, 1984, 19, 487-501
1541758 CIFH3.49 N0.83 O3 SbI m -39.53; 9.53; 9.53
90; 90; 90		865.523Hamedi, O.M.; Besse, J.P.; Baud, G.; Chevalier, R.
Conducteurs Protonique a l'Ammonium de Type K Sb O3 Cubique
Materials Research Bulletin, 1984, 19, 487-501
1541821 CIFN2 O4I m -37.77; 7.77; 7.77
90; 90; 90		469.097Broadley, J.S.; Robertson, J.M.
Structure of dinitrogen tetroxide
Nature (London), 1949, 164, 915-915
1541823 CIFNa0.54 O3 WI m -37.656; 7.656; 7.656
90; 90; 90		448.751Wiseman, P.J.; Dickens, P.
Neutron diffraction studies of cubic tungsten bronzes
Journal of Solid State Chemistry, 1976, 17, 91-100
1541824 CIFLi0.36 O3 WI m -37.446; 7.446; 7.446
90; 90; 90		412.828Wiseman, P.J.; Dickens, P.
Neutron diffraction studies of cubic tungsten bronzes
Journal of Solid State Chemistry, 1976, 17, 91-100
1541869 CIFH3 O3 ScI m -37.882; 7.882; 7.882
90; 90; 90		489.677Schubert, K.; Seitz, A.
Kristallstruktur von Sc (O H)3 und In (O H)3
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1948, 256, 226-238
1546365 CIFCa0.8 Cu3 Fe4 O12 Sr0.2I m -37.30355; 7.30355; 7.30355
90; 90; 90		389.585Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546367 CIFCa0.6 Cu3 Fe4 O12 Sr0.4I m -37.31708; 7.31708; 7.31708
90; 90; 90		391.754Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546368 CIFCa0.6 Cu3 Fe4 O12 Sr0.4I m -37.2942; 7.2942; 7.2942
90; 90; 90		388.09Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546369 CIFCa0.4 Cu3 Fe4 O12 Sr0.6I m -37.33013; 7.33013; 7.33013
90; 90; 90		393.854Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546370 CIFCa0.4 Cu3 Fe4 O12 Sr0.6I m -37.3364; 7.3364; 7.3364
90; 90; 90		394.865Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546371 CIFCa0.2 Cu3 Fe4 O12 Sr0.8I m -37.34542; 7.34542; 7.34542
90; 90; 90		396.324Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Journal of Asian Ceramic Societies, 2017, 175, 5-169
1546372 CIFCa0.2 Cu3 Fe4 O12 Sr0.8I m -37.35387; 7.35387; 7.35387
90; 90; 90		397.693Yamada, I.; Shiro, K.; Hayashi, N.; Kawaguchi, S.; Kawakami, T.; Takahashi, R.; Irifune, T.
Structural and electronic transformations in quadruple iron perovskite Ca1-xSrxCu3Fe4O12
Journal of Asian Ceramic Societies, 2017, 175, 5-169
1552355 CIF
HKL
Paper		C44 H44 N4 O2 S2I m -318.1038; 18.1038; 18.1038
90; 90; 90		5933.5Selvakumar, Jayaraman; Arumugam, Kuppuswamy
1,1',3,3'-Tetramesitylquinobis(imidazole)-2,2'-dithione
IUCrData, 2019, 4, x191268
1566759 CIFCo Sb3I m -39.036; 9.036; 9.036
90; 90; 90		737.783Glazyrin, K.; Khandarkhaeva, S.; Fedotenko, T.; Dong, W.; Laniel, D.; Seiboth, F.; Schropp, A.; Garrevoet, J.; Brückner, D.; Falkenberg, G.; Kubec, A.; David, C.; Wendt, M.; Wenz, S.; Dubrovinsky, L.; Dubrovinskaia, N.; Liermann, H.-P.
Sub-micrometer focusing setup for high-pressure crystallography at the Extreme Conditions beamline at PETRAIII
Journal of Synchrotron Radiation, 2022, 29, 654-663
1568161 CIFBa4 Cu12 Rb6 Se13I m -312.1735; 12.1735; 12.1735
90; 90; 90		1804.04Zhou, Xiuquan; Kolluru, Venkata Surya Chaitanya; Xu, Wenqian; Wang, Luqing; Chang, Tieyan; Chen, Yu-Sheng; Yu, Lei; Wen, Jianguo; Chan, Maria K. Y.; Chung, Duck Young; Kanatzidis, Mercouri G.
Discovery of chalcogenides structures and compositions using mixed fluxes
Nature, 2022, 612, 72-77
2002953 CIF
Paper		Co1.26 Fe2.74 La0.743 Sb12I m -39.0971; 9.0971; 9.0971
90; 90; 90		752.85Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002954 CIF
Paper		Co1.26 Fe2.74 La0.743 Sb12I m -39.0854; 9.0854; 9.0854
90; 90; 90		749.95Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002955 CIF
Paper		Co1.26 Fe2.74 La0.743 Sb12I m -39.0857; 9.0857; 9.0857
90; 90; 90		750.02Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002956 CIF
Paper		Co1.26 Fe2.74 La0.743 Sb12I m -39.0813; 9.0813; 9.0813
90; 90; 90		748.93Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002957 CIF
Paper		Co1.26 Fe2.74 La0.743 Sb12I m -39.0809; 9.0809; 9.0809
90; 90; 90		748.84Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002958 CIF
Paper		Co1.26 Fe2.74 La0.743 Sb12I m -39.0814; 9.0814; 9.0814
90; 90; 90		748.96Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002959 CIF
Paper		Co1.26 Fe2.74 La0.743 Sb12I m -39.0839; 9.0839; 9.0839
90; 90; 90		749.58Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002960 CIF
Paper		Co1.26 Fe2.74 La0.743 Sb12I m -39.0771; 9.0771; 9.0771
90; 90; 90		747.9Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2002961 CIF
Paper		Co1.26 Fe2.74 La0.743 Sb12I m -39.0762; 9.0762; 9.0762
90; 90; 90		747.67Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B, 1999, 55, 341-347
2020028 CIFRh13.6 Sc56.8I m -314.414; 14.414; 14.414
90; 90; 90		2994.7Cenzual, K.; Parthe, E.; Chabot, B.
Cubic Sc57 Rh13 and orthorhombic Hf54 Os17, two geometrically related crystal structures with rhodium- and osmium-centered icosahedra
Acta Crystallographica C (39,1983-), 1985, 41, 313-319
2021894 CIFCd113.75 Mg31.37 Yb24I m -315.7531; 15.7531; 15.7531
90; 90; 90		3909.29Yamada, Tsunetomo; Takakura, Hiroyuki; de Boissieu, Marc; Tsai, An-Pang
Atomic structures of ternary Yb‒Cd‒Mg icosahedral quasicrystals and a 1/1 approximant
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2017, 73, 1125
2103985 CIF
Paper		Na0.74 O3 WI m -37.693272; 7.693272; 7.693272
90; 90; 90		455.337Darlington, C. N. W.; Hriljac, J. A.; Knight, K. S.
Structures of Na~0.74~WO~3~
Acta Crystallographica Section B, 2003, 59, 584-587
2104473 CIF
Paper		N2 O4I m -37.7529; 7.7529; 7.7529
90; 90; 90		466.007Tsirelson, Vladimir G.; Shishkina, Anastasia V.; Stash, Adam I.; Parsons, Simon
The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide
Acta Crystallographica Section B, 2009, 65, 647-658
2104474 CIF
Paper		?I m -37.7529; 7.7529; 7.7529
90; 90; 90		466.01Tsirelson, Vladimir G.; Shishkina, Anastasia V.; Stash, Adam I.; Parsons, Simon
The experimental and theoretical QTAIMC study of the atomic and molecular interactions in dinitrogen tetroxide
Acta Crystallographica Section B, 2009, 65, 647-658
2106188 CIFAs3 CoI m -38.195; 8.195; 8.195
90; 90; 90		550.36Mandel, N.; Donohue, J.
The refinement of the crystal structure of skutterudite, Co As3
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2288-2289
2106217 CIFCd6 YI m -315.482; 15.482; 15.482
90; 90; 90		3710.92Larson, A.C.; Cromer, D.T.
The crystal structure of Y Cd6
Acta Crystallographica B (24,1968-38,1982), 1971, 27, 1875-1879
2106348 CIFFe4 La P12I m -37.8316; 7.8316; 7.8316
90; 90; 90		480.343Jeitschko, W.; Braun, D.J.
La Fe4 P12 with filled CoAs3-type structure and isotypic lanthanoid-transition metal polyphosphides
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3401-3406
2106411 CIFCa Cu3 Ge4 O12I m -37.202; 7.202; 7.202
90; 90; 90		373.559Ozaki, Y.; Ghedira, M.; Joubert, J.C.; Chenavas, J.; Marezio, M.
High-pressure sythesis and bond lengths of calcium copper germanium oxide (Ca Cu3)(Ge4) O12
Acta Crystallographica B (24,1968-38,1982), 1977, 33, 3615-3617
2108379 CIF
HKL
Paper		Al84 Cu26 Li40 Mg12I m -313.8451; 13.8451; 13.8451
90; 90; 90		2653.92Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Ehrenberg, Helmut
Li~20~Mg~6~Cu~13~Al~42~: a new ordered quaternary superstructure to the icosahedral <i>T</i>-Mg~32~(Zn,Al)~49~ phase with fullerene-like Al~60~ cluster
Acta Crystallographica Section B, 2019, 75
2108845 CIF
HKL		Cd109.89 Mg35.29 Y24I m -315.4577; 15.4577; 15.4577
90; 90; 90		3693.47Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid
2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems
Acta Crystallographica Section B, 2021, 77
2215386 CIF
HKL
Paper		C20 H24 N2 Yb2I m -314.4104; 14.4104; 14.4104
90; 90; 90		2992.5Zeuner, Martin; Schnick, Wolfgang
Cubic di-μ-amido-bis[bis(η^5^-cyclopentadienyl)ytterbium(III)]
Acta Crystallographica Section E, 2007, 63, m2581
2224851 CIF
HKL
Paper		Eu0.97 P12 Ru4I m -38.04163; 8.04163; 8.04163
90; 90; 90		520.035Kagomiya, Isao; Funahashi, Shiro; Sakakura, Terutoshi; Komori, Takashi; Tanaka, Kiyoaki
Filled skutterudite structure of europium ruthenium polyphosphide, EuRu~4~P~12~
Acta Crystallographica Section E, 2010, 66, i6
2310426 CIFIr Sb3I m -39.2495; 9.2495; 9.2495
90; 90; 90		791.325Kjekshus, A.; Pedersen, G.
The crystal structure of Ir As3 and Ir Sb3
Acta Crystallographica (1,1948-23,1967), 1961, 14, 1065-1070
2311008 CIFAl201.593 Fe42.4416 Mn10.6104I m -312.56; 12.56; 12.56
90; 90; 90		1981.39Cooper, M.
The crystal structure of ternary alpha-(Al Fe Si)
Acta Crystallographica (1,1948-23,1967), 1967, 23, 1106-1107
4000298 CIFCa Cu3 Ga2 Nb2 O12I m -37.47057; 7.47057; 7.47057
90; 90; 90		416.928Chemistry of Materials, 2003
4000485 CIFCu3 O12 Sr Ti4I m -37.42757; 7.42757; 7.42757
90; 90; 90		409.769Li, J; Subramanianb, M A; Rosenfeldb, H D; Jones, C Y; Toby, B H; Sleight, A W
Chemistry of Materials, 2004

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