Crystallography Open Database

Information card for entry 1508439

Preview

Coordinates	1508439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H3 Ni O7 S Tb
Calculated formula	H3 Ni O7 S Tb
Title of publication	Synthesis and structures of a series of novel rare earth transition metal sulfates
Authors of publication	Xiqu Wang; Lumei Liu; Allan J. Jacobson
Journal of publication	Journal of rare earths
Year of publication	2006
Journal volume	24
Journal issue	6
Pages of publication	659 - 662
a	7.0438 ± 0.0015 Å
b	7.2424 ± 0.0015 Å
c	10.333 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	527.13 ± 0.19 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0218
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
176729 (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 1.	1508439.cif
93852	2014-01-17	cif/1/50/84/ Fixing values of _publ_author_name tag. Adding DOIs.	1508439.cif
69258	2012-12-06	cif/ Updating files of 1508439 Original log message: temperature correction	1508439.cif
69255	2012-12-05	cif/ Adding structures of 1508439 via cif-deposit CGI script.	1508439.cif