Crystallography Open Database

Information card for entry 7241858

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Coordinates	7241858.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	claudetite I
Formula	As2 O3
Calculated formula	As2 O3
Title of publication	High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph
Authors of publication	Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	3
Pages of publication	638 - 644
a	5.29393 ± 0.00013 Å
b	12.8775 ± 0.0004 Å
c	4.50545 ± 0.00012 Å
α	90°
β	94.381 ± 0.003°
γ	90°
Cell volume	306.251 ± 0.015 Å³
Cell temperature	270 ± 1 K
Ambient diffraction temperature	270 ± 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	0.0348
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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