Crystallography Open Database

Information card for entry 1562291

Preview

Coordinates	1562291.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MHyMnPO2
Formula	C H13 Mn N2 O6 P3
Calculated formula	C H12 Mn N2 O6 P3
Title of publication	Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites
Authors of publication	Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2021
a	9.3794 ± 0.001 Å
b	13.2922 ± 0.0004 Å
c	8.5672 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1068.1 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Ambient diffracton pressure	110000 kPa
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
264708 (current)	2021-04-30	cif/ Adding structures of 1562291, 1562292, 1562293, 1562294, 1562295, 1562296, 1562297 via cif-deposit CGI script.	1562291.cif