Crystallography Open Database

Information card for entry 2101901

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Coordinates	2101901.cif
Original IUCr paper	HTML

Structure parameters

Formula	K3 Mo2 Na O8
Calculated formula	K3 Mo2 Na O8
SMILES	[Mo](=O)(=O)([O-])[O-].[Na+].[O-][Mo](=O)(=O)[O-].[K+].[K+].[K+]
Title of publication	Phase Transition in K~3~Na(MoO~4~)~2~ and Determination of the Twinned Structures of K~3~Na(MoO~4~)~2~ and K~2.5~Na~1.5~(MoO~4~)~2~ at Room Temperature
Authors of publication	Fábry, J.; Petrícek, V.; Vanek, P.; Císarová, I.
Journal of publication	Acta Crystallographica Section B
Year of publication	1997
Journal volume	53
Journal issue	4
Pages of publication	596 - 603
a	10.4455 ± 0.0014 Å
b	6.0307 ± 0.0008 Å
c	15.24 ± 0.004 Å
α	90°
β	90 ± 0.02°
γ	90°
Cell volume	960 ± 0.3 Å³
Cell temperature	290 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0362
Goodness-of-fit parameter for all reflections	1.16
Goodness-of-fit parameter for significantly intense reflections	1.16
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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