Crystallography Open Database

Information card for entry 8103047

Preview

Coordinates	8103047.cif

Structure parameters

Chemical name	praseodymium thioborate, Pr[BS~3~]
Formula	B Pr S3
Calculated formula	B Pr S3
Title of publication	Refinement of the crystal structure of praseodymium trithioborate, Pr[BS3], single crystal data
Authors of publication	Jens Hunger; Marija Borna; Rüdiger Kniep
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	217
a	7.5434 ± 0.0008 Å
b	6.013 ± 0.0005 Å
c	8.8859 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	403.05 ± 0.07 Å³
Cell temperature	295.15 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103047.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103047.cif
13786	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103047 via cif-deposit CGI script.	8103047.cif