Crystallography Open Database

Information card for entry 1562294

Preview

Coordinates	1562294.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HMyMnPO2
Formula	C H13 Mn N2 O6 P3
Calculated formula	C H13 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	10.2348 ± 0.0011 Å
b	7.272 ± 0.002 Å
c	12.6997 ± 0.0008 Å
α	90°
β	92.533 ± 0.006°
γ	90°
Cell volume	944.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Ambient diffracton pressure	1370000 kPa
Number of distinct elements	6
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	0.0659
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
264708 (current)	2021-04-30	cif/ Adding structures of 1562291, 1562292, 1562293, 1562294, 1562295, 1562296, 1562297 via cif-deposit CGI script.	1562294.cif