Crystallography Open Database

Information card for entry 2108796

Preview

Coordinates	2108796.cif
Structure factors	2108796.hkl
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba0.87 Ca0.17 Fe0.36 K0.45 Mg0.08 Mn0.24 Na2.46 O18 Si4 Sr0.51 Ti2.86
Calculated formula	Ba0.87 Ca0.17 Fe0.36 K0.45 Mg0.08 Mn0.24 Na2.46 O18 Si4 Sr0.51 Ti2.86
Title of publication	Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study
Authors of publication	Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.
Journal of publication	Acta Crystallographica Section B
Year of publication	2021
Journal volume	77
Journal issue	2
a	19.769 ± 0.0007 Å
b	7.1076 ± 0.0001 Å
c	5.4065 ± 0.0002 Å
α	90°
β	96.731 ± 0.003°
γ	90°
Cell volume	754.43 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	11
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	0.0304
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0496
Weighted residual factors for all reflections included in the refinement	0.0497
Goodness-of-fit parameter for significantly intense reflections	1.87
Goodness-of-fit parameter for all reflections included in the refinement	1.87
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
263389 (current)	2021-03-27	cif/ hkl/ Adding structures of 2108795, 2108796, 2108797, 2108798, 2108799 via cif-deposit CGI script.	2108796.cif 2108796.hkl