Crystallography Open Database

Information card for entry 8102979

Preview

Coordinates	8102979.cif

Structure parameters

Chemical name	hafnium arsenide selenide
Formula	As1.69 Hf Se0.21
Calculated formula	As1.69 Hf Se0.21
Title of publication	Crystal structure of hafnium arsenide selenide, HfAs~1.69~Se~0.21~
Authors of publication	Schlechte, Andreas; Niewa, Rainer; Borrmann, Horst; Auffermann, Gudrun; Schmidt, Marcus; Kniep, Rüdiger
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2007
Journal volume	222
Journal issue	4
Pages of publication	369 - 370
a	3.70841 ± 0.00005 Å
b	3.70841 ± 0.00005 Å
c	8.0496 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	110.701 ± 0.003 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.04
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation wavelength	0.5608 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102979.cif
108390	2014-03-31	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102979.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102979.cif
13718	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102979 via cif-deposit CGI script.	8102979.cif