Crystallography Open Database

Information card for entry 4001253

Preview

Coordinates	4001253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As5 Ba2 In5
Calculated formula	As5 Ba2 In5
Title of publication	Flux Growth and Electronic Properties of Ba2In5Pn5(Pn = P, As): Zintl Phases Exhibiting Metallic Behavior
Authors of publication	Mathieu, Josiah; Achey, Randall; Park, Ju-Hyun; Purcell, Kenneth M.; Tozer, Stanley W.; Latturner, Susan E.
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	17
Pages of publication	5675
a	17.4609 ± 0.0015 Å
b	4.2905 ± 0.0004 Å
c	17.9614 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1345.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.347
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001253.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001253.cif
41942	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001252, 4001253 via cif-deposit CGI script.	4001253.cif