Crystallography Open Database

Information card for entry 4339242

Preview

Coordinates	4339242.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Titaniumdistannide
Formula	Sb2 Ti
Calculated formula	Sb0.5 Ti0.25
Title of publication	Chemical bonding in TiSb(2) and VSb(2): a quantum chemical and experimental study.
Authors of publication	Armbrüster, Marc; Schnelle, Walter; Schwarz, Ulrich; Grin, Yuri
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	16
Pages of publication	6319 - 6328
a	6.66 ± 0.005 Å
b	6.66 ± 0.005 Å
c	5.818 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	258.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for all reflections	0.0273
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0603
Goodness-of-fit parameter for all reflections included in the refinement	1.208
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
179495 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/92.	4339242.cif
117224	2014-06-14	cif/ Adding structures of 4339242, 4339243 via cif-deposit CGI script.	4339242.cif