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Information card for entry 8103305
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| Coordinates | 8103305.cif |
|---|
| Common name | Barium oxonitridophosphate |
|---|---|
| Chemical name | Barium oxonitridophosphate |
| Formula | Ba3 N8 O6 P6 |
| Calculated formula | Ba3 N8 O6 P6 |
| Title of publication | Crystal structure of barium oxonitridophosphate, Ba3P6O6N8 |
| Authors of publication | Stefan J. Sedlmaier; Daniel Weber; Wolfgang Schnick |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2012 |
| Journal volume | 227 |
| Journal issue | 1 |
| Pages of publication | 1 |
| a | 7.40227 ± 0.000089 Å |
| b | 7.40227 ± 0.000089 Å |
| c | 6.31436 ± 0.00011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 299.633 ± 0.007 Å3 |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| RFsqd | 0.00825 |
| Goodness-of-fit parameter for all reflections | 1.047 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7093 Å |
| Diffraction radiation type | MoKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103305.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
8103305.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8103305.cif |
| 52270 | 2012-04-09 | ../uploads/cif-deposit/cod/cif Adding structures of 8103305 via cif-deposit CGI script. |
8103305.cif |
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Users of the data should acknowledge the original authors of the
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