Crystallography Open Database

Information card for entry 7049232

Preview

Coordinates	7049232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 Nd2 O24 S6
Calculated formula	B2 Nd2 O24 S6
Title of publication	RE<sub>2</sub>[B<sub>2</sub>(SO<sub>4</sub>)<sub>6</sub>] (RE = Y, La-Nd, Sm, Eu, Tb-Lu): a silicate-analogous host structure with weak coordination behaviour.
Authors of publication	Netzsch, Philip; Hämmer, Matthias; Gross, Peter; Bariss, Harijs; Block, Theresa; Heletta, Lukas; Pöttgen, Rainer; Bruns, Jörn; Huppertz, Hubert; Höppe, Henning A
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	13
Pages of publication	4387 - 4397
a	13.6775 ± 0.0004 Å
b	11.5134 ± 0.0004 Å
c	11.2046 ± 0.0003 Å
α	90°
β	93.5909 ± 0.0008°
γ	90°
Cell volume	1760.97 ± 0.09 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 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 all reflections	0.0338
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
224274 (current)	2019-11-08	cif/ Updating files of 7049219, 7049220, 7049221, 7049222, 7049223, 7049224, 7049225, 7049226, 7049227, 7049228, 7049229, 7049230, 7049231, 7049232, 7049233 Original log message: Adding full bibliography for 7049219--7049233.cif.	7049232.cif
213962	2019-03-05	cif/ Adding structures of 7049232 via cif-deposit CGI script.	7049232.cif