Crystallography Open Database

Information card for entry 4335202

Preview

Coordinates	4335202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Au2 Ba P4
Calculated formula	Au2 Ba P4
Title of publication	BaAu2P4: Layered Zintl Polyphosphide with Infinite \ιnfty1(P-) Chains
Authors of publication	James Fulmer; Derrick C. Kaseman; Juli-Anna Dolyniuk; Kathleen Lee; Sabyasachi Sen; Kirill Kovnir
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7061 - 7067
a	6.5171 ± 0.0016 Å
b	8.867 ± 0.002 Å
c	21.844 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1262.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0171
Residual factor for significantly intense reflections	0.0151
Weighted residual factors for significantly intense reflections	0.033
Weighted residual factors for all reflections included in the refinement	0.0335
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179455 (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 4/33/52.	4335202.cif
101110	2014-02-10	cif/ Adding structures of 4335202 via cif-deposit CGI script.	4335202.cif