Crystallography Open Database

Information card for entry 4324653

Preview

Coordinates	4324653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K1.03 Mn2 O4
Calculated formula	K1.029 Mn2 O4
Title of publication	Buckled Layers in K0.66Mn2O4.0.28H2O and K0.99Mn3O6.1.25H2O Synthesized at High Pressure: Implication for the Mechanism of Layer-to-Tunnel Transformation in Manganese Oxides
Authors of publication	Qingxin Chu; Xiaofeng Wang; Xinhao Zhang; Qiliang Li; Xiaoyang Liu
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2049 - 2051
a	12.7592 ± 0.0006 Å
b	2.8385 ± 0.0001 Å
c	10.4665 ± 0.0005 Å
α	90°
β	94.797 ± 0.003°
γ	90°
Cell volume	377.74 ± 0.03 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0452
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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