Crystallography Open Database

Information card for entry 4341481

Preview

Coordinates	4341481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C0.445 H4.915 As6 Ca14 N1.135
Calculated formula	C0.445 H4.915 As6 Ca14 N1.135
Title of publication	LiCa3As2H and Ca14As6X7 (X = C, H, N): Two New Arsenide Hydride Phases Grown from Ca/Li Metal Flux.
Authors of publication	Blankenship, Trevor V.; Wang, Xiaoping; Hoffmann, Christina; Latturner, Susan E.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10620 - 10626
a	15.7027 ± 0.0002 Å
b	15.7027 ± 0.0002 Å
c	9.1043 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2244.89 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	127
Hermann-Mauguin space group symbol	P 4/m b m
Hall space group symbol	-P 4 2ab
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.18
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341481.cif
126687	2014-11-10	cif/ Adding structures of 4341479, 4341480, 4341481 via cif-deposit CGI script.	4341481.cif