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Information card for entry 2104739
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Coordinates | 2104739.cif |
---|---|
Original IUCr paper | HTML |
Common name | Pyrrhotite 4C |
---|---|
Mineral name | Pyrrhotite 4C |
Formula | Fe7 S8 |
Calculated formula | Fe7 S8 |
SMILES | [Fe+3].[Fe+3].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2] |
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 | 11.91383 ± 0.00028 Å |
b | 6.87079 ± 0.00015 Å |
c | 12.91089 ± 0.00034 Å |
α | 90° |
β | 118.034 ± 0.0018° |
γ | 90° |
Cell volume | 932.85 ± 0.04 Å3 |
Number of distinct elements | 2 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor R(I) for significantly intense reflections | 0.0149 |
Method of determination | powder diffraction |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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. |
2104739.cif |
125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104739.cif |
77586 | 2013-03-28 | cod/cif/ (saulius@koala.ibt.lt) Merging mineral data updates (_chemical_name_mineral, _chemical_name_common, structural formulae) sent to me by T.D. in his e-mail. The merge was done by the command: for i in split/*.cif do ( B=$(basename $i); C=$(echo $B|awk '{print "/home/saulius/struct/cod/cif/"substr($0,1,1)"/"substr($0,2,2)"/"substr($0,4,2)"/"$0}'); ( set -x; cif_merge --over \ _chemical_name_mineral,_chemical_name_structure_type,_chemical_name_common,_chemical_name_systematic,_chemical_formula_structural,_chemical_formula_sum \ $C $i ) \ | cif_filter --add-cif-header $C \ | sponge $C ) done in the working copy of the following repository: URL: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction/contributions Repository Root: svn+ssh://pitonas.ibt.lt/home/xray/svn-repositories/xyz-extraction Repository UUID: 9acf3947-1f02-0410-ae2a-984b57ad209b Revision: 2625 Node Kind: directory Schedule: normal Last Changed Author: saulius Last Changed Rev: 2625 Last Changed Date: 2013-03-28 15:13:00 +0200 (Thu, 28 Mar 2013) |
2104739.cif |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104739.cif |
1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2104739.cif |
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Users of the data should acknowledge the original authors of the
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