Crystallography Open Database

Information card for entry 2100612

Preview

Coordinates	2100612.cif
Original IUCr paper	HTML

Structure parameters

Formula	Cu0.299 Pb0.951 S3.357 Sb0.406 Sn0.851
Calculated formula	Cu0.298 Pb1.402 S4 Sb0.598 Sn0.851
Title of publication	First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals
Authors of publication	M. Evain; V. Petricek; Y. Moëlo; C. Maurel
Journal of publication	Acta Crystallographica Section B
Year of publication	2006
Journal volume	62
Journal issue	5
Pages of publication	775 - 789
a	3.6733 ± 0.0004 Å
b	6.312 ± 0.0005 Å
c	11.9039 ± 0.0012 Å
α	92.484 ± 0.008°
β	90.687 ± 0.009°
γ	89.941 ± 0.008°
Cell volume	275.72 ± 0.05 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	C -1
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	2.65
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277835 (current)	2022-09-14	cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines.	2100612.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.	2100612.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	2100612.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2100612.cif
32112	2012-02-03	cif/: committing an update of 45+ thous files, with information appended from the originals.	2100612.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2100612.cif
26029	2011-09-17	cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names).	2100612.cif
25271	2011-09-10	cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields.	2100612.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	2100612.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2100612.cif
321	2008-03-30	Changing the COD CIF files header (comments) in all files that were recently deposited from the IUCr autodownloaded sources to the text agreed with IUCr.	2100612.cif
156	2008-02-24	Depositing the processed CIF files from the Acta-Cryst-B-2006/ issues 3-6.	2100612.cif