Crystallography Open Database

Information card for entry 8102888

Preview

Coordinates	8102888.cif

Structure parameters

Chemical name	potassium praseodymium(III) tetraselenidogermanate
Formula	Ge K Pr Se4
Calculated formula	Ge K Pr Se4
SMILES	[Pr+3].[Se-][Ge]([Se-])([Se-])[Se-].[K+]
Title of publication	Crystal structures of potassium terbium(III) tetrasulfidogermanate, KTbGeS~4~, and potassium praseodymium(III) tetraselenidogermanat, KPrGeSe~4~
Authors of publication	B. C. Chan; P. K. Dorhout
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2005
Journal volume	220
Journal issue	1
Pages of publication	7 - 8
a	6.828 ± 0.0008 Å
b	7.0105 ± 0.0008 Å
c	8.9868 ± 0.001 Å
α	90°
β	108.157 ± 0.002°
γ	90°
Cell volume	408.76 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102888.cif
107925	2014-03-23	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102888.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102888.cif
13627	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102888 via cif-deposit CGI script.	8102888.cif