Crystallography Open Database

Information card for entry 2311888

Preview

Coordinates	2311888.cif
Original IUCr paper	HTML

Structure parameters

Common name	indum dihydrogen arsenate dihydrogen diarsenate
Chemical name	Diindium bis[dihydrogen arsenate(V)] bis[dihydrogen diarsenate(V)]
Formula	As6 H8 In2 O22
Calculated formula	As6 H5 In2 O22
Title of publication	M<sup>3+</sup>(H<sub>2</sub>AsO<sub>4</sub>)(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>) (M<sup>3+</sup> = Al, Ga) and In<sub>2</sub>(H<sub>2</sub>AsO<sub>4</sub>)<sub>2</sub>(H<sub>2</sub>As<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: a new layer structure type and a new framework structure type containing the rare H<sub>2</sub>As<sub>2</sub>O<sub>7</sub><sup>2-</sup> group.
Authors of publication	Schwendtner, Karolina; Kolitsch, Uwe
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 8
Pages of publication	600 - 608
a	12.487 ± 0.002 Å
b	11.529 ± 0.002 Å
c	12.553 ± 0.003 Å
α	90°
β	101.4 ± 0.03°
γ	90°
Cell volume	1771.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0422
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.222
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
246154 (current)	2019-12-26	cif/ Adding structures of 2311886, 2311887, 2311888 via cif-deposit CGI script.	2311888.cif