Crystallography Open Database

Information card for entry 2311750

Preview

Coordinates	2311750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 Ba3 Mg3 O18
Calculated formula	C6 Ba3 Mg3 O18
Title of publication	Evolution of the α-BaMg(CO<sub>3</sub>)<sub>2</sub> low-temperature superstructure and the tricritical nature of its α-β phase transition.
Authors of publication	Ende, Martin; Effenberger, Herta; Miletich, Ronald
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	827 - 835
a	5.0187 ± 0.0001 Å
b	5.0187 ± 0.0001 Å
c	33.5273 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	731.33 ± 0.03 Å³
Cell temperature	340 ± 2 K
Ambient diffraction temperature	340 ± 2 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0241
Residual factor for significantly intense reflections	0.0109
Weighted residual factors for significantly intense reflections	0.0224
Weighted residual factors for all reflections included in the refinement	0.0246
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
246100 (current)	2019-12-26	cif/ Adding structures of 2311742, 2311743, 2311744, 2311745, 2311746, 2311747, 2311748, 2311749, 2311750, 2311751, 2311752, 2311753, 2311754, 2311755, 2311756, 2311757, 2311758, 2311759, 2311760, 2311761 via cif-deposit CGI script.	2311750.cif