Crystallography Open Database

Information card for entry 4315625

Preview

Coordinates	4315625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As2 Ba2 Zn
Calculated formula	As2 Ba2 Zn
Title of publication	Isolated \ιnfty1[ZnPn2]4- Chains in the Zintl Phases Ba2ZnPn2 (Pn = As, Sb, Bi) - Synthesis, Structure, and Bonding
Authors of publication	Bayrammurad Saparov; Svilen Bobev
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	5173 - 5179
a	13.399 ± 0.009 Å
b	6.878 ± 0.005 Å
c	6.541 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	602.8 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0181
Residual factor for significantly intense reflections	0.0155
Weighted residual factors for significantly intense reflections	0.0344
Weighted residual factors for all reflections included in the refinement	0.0353
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4315625.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315625.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315625.cif
8781	2011-02-08	../uploads/cif-deposit/cod/cif Adding structures of 4315625 via cif-deposit CGI script.	4315625.cif