Crystallography Open Database

Information card for entry 8103187

Preview

Coordinates	8103187.cif

Structure parameters

Formula	H4 Hf2 Li O14 P3
Calculated formula	H4.02 Hf2 Li O14 P3
Title of publication	Crystal structure of a lithium-filled langbeinite variant, Li(H2O)2[Hf2(PO4)3]
Authors of publication	Shuang Chen; Stefan Hoffmann; Horst Borrmann; Rüdiger Kniep
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	299
a	10.1993 ± 0.0002 Å
b	10.1993 ± 0.0002 Å
c	10.1993 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1060.99 ± 0.04 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0336
Weighted residual factors for all reflections included in the refinement	0.0346
Goodness-of-fit parameter for all reflections included in the refinement	0.993
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.56089 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103187.cif
176728	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.	8103187.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103187.cif
29205	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103187 via cif-deposit CGI script.	8103187.cif