Crystallography Open Database

Information card for entry 4513587

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Structure parameters

Formula	As4 O6
Calculated formula	As4 O6
SMILES	O1[As]2O[As]3O[As]1O[As](O2)O3
Title of publication	Compressed Arsenolite As4O6and Its Helium Clathrate As4O6·2He
Authors of publication	Guńka, Piotr A.; Dziubek, Kamil F.; Gładysiak, Andrzej; Dranka, Maciej; Piechota, Jacek; Hanfland, Michael; Katrusiak, Andrzej; Zachara, Janusz
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	8
Pages of publication	3740
a	9.8807 ± 0.0004 Å
b	9.8807 ± 0.0004 Å
c	9.8807 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	964.64 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.292
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41427 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4513587.cif
273129	2022-02-23	cif/4 Fixing Z values and formulae	4513587.cif
153928	2015-09-04	cif/ Adding structures of 4513566, 4513567, 4513568, 4513569, 4513570, 4513571, 4513572, 4513573, 4513574, 4513575, 4513576, 4513577, 4513578, 4513579, 4513580, 4513581, 4513582, 4513583, 4513584, 4513585, 4513586, 4513587, 4513588, 4513589, 4513590, 4513591 via cif-deposit CGI script.	4513587.cif