Crystallography Open Database

Information card for entry 2311525

Preview

Coordinates	2311525.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Barium dimanganese(II) bis(arsenate)
Formula	As2 Ba Mn2 O8
Calculated formula	As2 Ba Mn2 O8
Title of publication	Crystal structure of BaMn<sub>2</sub>(AsO<sub>4</sub>)<sub>2</sub> containing discrete [Mn<sub>4</sub>O<sub>18</sub>]<sup>28-</sup> units.
Authors of publication	Alcantar, Salvador; Ledbetter, Hollis R.; Ranmohotti, Kulugammana G. S.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1855 - 1860
a	5.7981 ± 0.0012 Å
b	7.0938 ± 0.0014 Å
c	9.817 ± 0.002 Å
α	109.75 ± 0.03°
β	100.42 ± 0.03°
γ	98.4 ± 0.03°
Cell volume	364.28 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
245956 (current)	2019-12-25	cif/ Adding structures of 2311525 via cif-deposit CGI script.	2311525.cif