Crystallography Open Database

Information card for entry 7127903

Preview

Coordinates	7127903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 K12 Mn4 Na4 O48
Calculated formula	C24 K12 Mn4 Na4 O48
Title of publication	Tilting and twisting in a novel perovzalate, K<sub>3</sub>NaMn(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>.
Authors of publication	He, Xiaolong; Zhang, Xinyuan; Ji, Bifa; Yao, Wenjiao; Lightfoot, Philip; Tang, Yongbing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	20
Pages of publication	2567 - 2570
a	13.4567 ± 0.0003 Å
b	13.4567 ± 0.0003 Å
c	13.4567 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2436.78 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	206
Hermann-Mauguin space group symbol	I a -3
Hall space group symbol	-I 2b 2c 3
Residual factor for all reflections	0.0216
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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