Crystallography Open Database

Information card for entry 2104763

Preview

Coordinates	2104763.cif
Original IUCr paper	HTML

Structure parameters

Common name	samarium hexaboride
Chemical name	samarium hexaboride
Formula	B6 Sm
Calculated formula	B6 Sm
Title of publication	X-ray atomic orbital analysis of 4<i>f</i> and 5<i>d</i> electron configuration of SmB~6~ at 100, 165, 230 and 298K
Authors of publication	Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi
Journal of publication	Acta Crystallographica Section B
Year of publication	2010
Journal volume	66
Journal issue	3
Pages of publication	292 - 306
a	4.1325 ± 0.0002 Å
b	4.1325 ± 0.0002 Å
c	4.1325 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	70.573 ± 0.006 Å³
Cell temperature	165 ± 1 K
Ambient diffraction temperature	165 ± 1 K
Number of distinct elements	2
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0096
Residual factor for significantly intense reflections	0.00793
Weighted residual factors for significantly intense reflections	0.00837
Weighted residual factors for all reflections included in the refinement	0.0115
Goodness-of-fit parameter for all reflections included in the refinement	1.1108
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
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2104763.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2104763.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2104763.cif
1284	2010-08-08	cif/2/ Adding the processed IUCr 2010 June and July CIFs.	2104763.cif