Crystallography Open Database

Information card for entry 4316405

Preview

Coordinates	4316405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As2 Ba Ga2
Calculated formula	As2 Ba Ga2
Title of publication	BaGa2Pn2 (Pn= P, As): New Semiconducting Phosphides and Arsenides with Layered Structures
Authors of publication	Hua He; Ryan Stearrett; Edmund R. Nowak; Svilen Bobev
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7935 - 7940
a	7.495 ± 0.005 Å
b	9.901 ± 0.006 Å
c	7.643 ± 0.005 Å
α	90°
β	115.381 ± 0.008°
γ	90°
Cell volume	512.4 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0401
Weighted residual factors for all reflections included in the refinement	0.0421
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
179244 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/64.	4316405.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316405.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316405.cif
9601	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316405 via cif-deposit CGI script.	4316405.cif