Crystallography Open Database

Information card for entry 2107491

Preview

Coordinates	2107491.cif
Original IUCr paper	HTML

Structure parameters

Formula	F K2 O6 Sc Si2
Calculated formula	F K2 O6 Sc Si2
Title of publication	Melilite-like modulation and temperature-dependent evolution in the framework structure of K~2~Sc[Si~2~O~6~]F
Authors of publication	Hejny, Clivia; Kahlenberg, Volker; Eberhard, Tim; Krüger, Hannes
Journal of publication	Acta Crystallographica Section B
Year of publication	2016
Journal volume	72
Journal issue	2
Pages of publication	209 - 222
a	8.9622 ± 0.0004 Å
b	8.9622 ± 0.0004 Å
c	8.2705 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	664.3 ± 0.05 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0674
Goodness-of-fit parameter for significantly intense reflections	2.31
Goodness-of-fit parameter for all reflections included in the refinement	1.82
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180695 (current)	2016-04-02	cif/ Adding structures of 2107486, 2107487, 2107488, 2107489, 2107490, 2107491 via cif-deposit CGI script.	2107491.cif