Crystallography Open Database

Information card for entry 7241860

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Coordinates	7241860.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	5.2915 ± 0.00015 Å
b	12.8527 ± 0.0004 Å
c	4.50173 ± 0.00014 Å
α	90°
β	94.533 ± 0.003°
γ	90°
Cell volume	305.205 ± 0.016 Å³
Cell temperature	190 ± 1 K
Ambient diffraction temperature	190 ± 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	0.0361
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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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