Crystallography Open Database

Information card for entry 1520512

1520511 << 1520512 >> 1520513

Preview

Coordinates	1520512.cif

Structure parameters

Formula	Rb6 S25 Ta4
Calculated formula	Rb6 S25 Ta4
SMILES	[Ta]12([S-])(SS2)(SS1)[S]1[Ta]2(S1)(SS2)([S-])SSSSS[Ta]12([S]([Ta]34([S-])(SS3)SS4)S1)(SS2)[S-].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+]
Title of publication	Synthesis, crystal structure and optical properties of the new tantalum polysulfide Rb6Ta4S25 and its thermal degradation to Rb6Ta4S22
Authors of publication	Petra Stoll; Christian Nather; Inke Jeb; Wolfgang Bensch
Journal of publication	Solid State Sciences
Year of publication	2000
Journal volume	2
Pages of publication	563 - 568
a	36.943 ± 0.002 Å
b	8.1028 ± 0.0003 Å
c	12.6415 ± 0.0008 Å
α	90°
β	98.858 ± 0.007°
γ	90°
Cell volume	3739 ± 0.3 Å³
Ambient diffraction temperature	200 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520512.cif
139078	2015-06-11	cif/ Adding structures of 1520512 via cif-deposit CGI script.	1520512.cif