Crystallography Open Database

Information card for entry 4334254

Preview

Coordinates	4334254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl16 Cs7 Nd11 O36 Se12
Calculated formula	Cl16 Cs7 Nd11 O36 Se12
Title of publication	Cs7Nd11(SeO3)12Cl16: First Noncentrosymmetric Structure among Alkaline-Metal Lanthanide Selenite Halides
Authors of publication	Peter S. Berdonosov; Lev Akselrud; Yurii Prots; Artem M. Abakumov; Philippe F. Smet; Dirk Poelman; Gustaaf Van Tendeloo; Valery A. Dolgikh
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	3611 - 3619
a	15.911 ± 0.001 Å
b	15.951 ± 0.001 Å
c	25.86 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6563.2 ± 0.6 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179445 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/42.	4334254.cif
100071	2014-02-04	cif/ Adding structures of 4334254 via cif-deposit CGI script.	4334254.cif