Crystallography Open Database

Information card for entry 2104736

Preview

Coordinates	2104736.cif
Original IUCr paper	HTML

Structure parameters

Common name	Lanthanum Hexaboride
Formula	B6 La
Calculated formula	B6 La
Title of publication	Structure of pyrrhotite 5<i>C</i> (Fe~9~S~10~)
Authors of publication	Elliot, Alexander Dean
Journal of publication	Acta Crystallographica Section B
Year of publication	2010
Journal volume	66
Journal issue	3
Pages of publication	271 - 279
a	4.15706 ± 0.00001 Å
b	4.15706 ± 0.00001 Å
c	4.15706 ± 0.00001 Å
α	90°
β	90°
γ	90°
Cell volume	71.8388 ± 0.0003 Å³
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 R(I) for significantly intense reflections	0.02147
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191079 (current)	2017-01-29	cif/2/10/47/ (antanas@kurmis) Moving _atom_site_aniso_U_* data items from the _atom_site loop to the _atom_site_aniso loop and adding the _atom_site_aniso_label data item in entries 2104736, 2104737, 2104742, 2104743, 2104744, 2104745, 2104746, 2104747, 2104748, 2104753, 2104754, 2104755, 2104756, 2104757.	2104736.cif
176768	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.	2104736.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2104736.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2104736.cif
1284	2010-08-08	cif/2/ Adding the processed IUCr 2010 June and July CIFs.	2104736.cif