Crystallography Open Database

Information card for entry 4335512

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Coordinates	4335512.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	germanium-phosphor telluride
Chemical name	germanium-phosphor telluride
Formula	Ge129.28 P42.72 Te21.53
Calculated formula	Ge129.304 P42.64 Te21.536
Title of publication	Cationic Clathrate of Type-III Ge172-xPxTey (y~ 21.5,x~ 2y): Synthesis, Crystal Structure and Thermoelectric Properties
Authors of publication	Maria A. Kirsanova; Takao Mori; Satofumi Maruyama; Artem M. Abakumov; Gustaaf Van Tendeloo; Andrei Olenev; Andrei V. Shevelkov
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8272 - 8279
a	19.948 ± 0.003 Å
b	19.948 ± 0.003 Å
c	10.44 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4154.3 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179458 (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 4/33/55.	4335512.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4335512.cif
101443	2014-02-13	cif/ Adding structures of 4335512 via cif-deposit CGI script.	4335512.cif