Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4001104
Preview
Coordinates | 4001104.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tin phosphide |
---|---|
Formula | P4.04 Sn3 |
Calculated formula | P4.04 Sn3 |
Title of publication | Highly Disordered Crystal Structure and Thermoelectric Properties of Sn3P4 |
Authors of publication | Zaikina, Julia V.; Kovnir, Kirill A.; Sobolev, Alexey N.; Presniakov, Igor A.; Kytin, Vladimir G.; Kulbachinskii, Vladimir A.; Olenev, Andrei V.; Lebedev, Oleg I.; Tendeloo, Gustaaf Van; Dikarev, Evgeny V.; Shevelkov, Andrei V. |
Journal of publication | Chemistry of Materials |
Year of publication | 2008 |
Journal volume | 20 |
Journal issue | 7 |
Pages of publication | 2476 |
a | 4.429 ± 0.0006 Å |
b | 4.429 ± 0.0006 Å |
c | 28.36 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 481.78 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 2 |
Space group number | 166 |
Hermann-Mauguin space group symbol | R -3 m :H |
Hall space group symbol | -R 3 2" |
Residual factor for all reflections | 0.0239 |
Residual factor for significantly intense reflections | 0.0226 |
Weighted residual factors for significantly intense reflections | 0.057 |
Weighted residual factors for all reflections included in the refinement | 0.0577 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001104.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 {}' |
4001104.cif |
120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001104.cif |
41854 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4001104 via cif-deposit CGI script. |
4001104.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.