Crystallography Open Database

Information card for entry 2312336

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Structure parameters

Formula	Fe H4.86 K3 O11.43 Te2
Calculated formula	Fe H4 K3 O11.43 Te2
Title of publication	Order-disorder (OD) polytypism of K<sub>3</sub>FeTe<sub>2</sub>O<sub>8</sub>(OH)<sub>2</sub>(H<sub>2</sub>O)<sub>1+x</sub>.
Authors of publication	Wolflehner, Tobias; Stöger, Berthold
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2023
Journal volume	79
Journal issue	6
Pages of publication	510 - 518
a	12.766 ± 0.0006 Å
b	14.947 ± 0.0006 Å
c	5.9706 ± 0.0002 Å
α	90°
β	90.047 ± 0.003°
γ	90°
Cell volume	1139.27 ± 0.08 Å³
Cell temperature	432 K
Ambient diffraction temperature	432 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
288123 (current)	2023-12-07	cif/ Updating files of 2312335, 2312336 Original log message: Adding full bibliography for 2312335--2312336.cif.	2312336.cif 2312336.hkl
287485	2023-11-08	cif/ hkl/ Adding structures of 2312335, 2312336 via cif-deposit CGI script.	2312336.cif 2312336.hkl