Crystallography Open Database

Information card for entry 2311579

Preview

Coordinates	2311579.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dibarium calcium hexaoxidotellurate
Formula	Ba2 Ca O6 Te
Calculated formula	Ba2 Ca O6 Te
SMILES	[Ba+2].[Ca+2].[Ba+2].[O-][Te]([O-])([O-])([O-])([O-])[O-]
Title of publication	Crystal structures of the triple perovskites Ba<sub>2</sub>K<sub>2</sub>Te<sub>2</sub>O<sub>9</sub> and Ba<sub>2</sub>KNaTe<sub>2</sub>O<sub>9</sub>, and redetermination of the double perovskite Ba<sub>2</sub>CaTeO<sub>6</sub>.
Authors of publication	Weil, Matthias
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2018
Journal volume	74
Journal issue	Pt 7
Pages of publication	1006 - 1009
a	8.3536 ± 0.0014 Å
b	8.3536 ± 0.0014 Å
c	8.3536 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	582.94 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0194
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	1.325
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245998 (current)	2019-12-25	cif/ Adding structures of 2311577, 2311578, 2311579 via cif-deposit CGI script.	2311579.cif