Crystallography Open Database

Information card for entry 4003652

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Coordinates	4003652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H24 Mg2 N6 O12 P6
Calculated formula	C2 H24 Mg2 N6 O12 P6
Title of publication	Phase Transition and Negative Thermal Expansion in Guanidinium Magnesium-Hypophosphite Hybrid Perovskite
Authors of publication	Gao, Hong-Qiang; Wei, Wen-Juan; Tan, Yu-Hui; Tang, Yun-Zhi
Journal of publication	Chemistry of Materials
Year of publication	2020
a	8.96756 ± 0.00008 Å
b	9.07834 ± 0.00007 Å
c	15.54301 ± 0.00013 Å
α	105.576 ± 0.0007°
β	90.907 ± 0.0007°
γ	118.551 ± 0.0008°
Cell volume	1055.01 ± 0.019 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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