Crystallography Open Database

Information card for entry 4506960

Preview

Coordinates	4506960.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	claudetite II
Chemical name	arsenic(III) oxide
Formula	As2 O3
Calculated formula	As2 O3
Title of publication	As2O3Polymorphs: Theoretical Insight into Their Stability and Ammonia Templated Claudetite II Crystallization
Authors of publication	Guńka, Piotr A.; Dranka, Maciej; Piechota, Jacek; Żukowska, Grażyna Z.; Zalewska, Aldona; Zachara, Janusz
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5663
a	8.0131 ± 0.0014 Å
b	4.5717 ± 0.0007 Å
c	9.1154 ± 0.0015 Å
α	90°
β	101.831 ± 0.018°
γ	90°
Cell volume	326.84 ± 0.1 Å³
Cell temperature	298 ± 0.1 K
Ambient diffraction temperature	298 ± 0.1 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0565
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179605 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/69.	4506960.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506960.cif
71905	2013-01-21	cif/ Adding structures of 4506959, 4506960 via cif-deposit CGI script.	4506960.cif