Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 6000077
Preview
| Coordinates | 6000077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ca H2 O7 P2 |
|---|---|
| Calculated formula | Ca H2 O7 P2 |
| Title of publication | Structure determination of CaH~2~P~2~O~7~ from in situ powder diffraction data |
| Authors of publication | Trommer, J.; Schneider, M.; Worzala, H.; Fitch, A. N. |
| Journal of publication | Materials Science Forum |
| Year of publication | 2000 |
| Pages of publication | 374 - 379 |
| a | 7.3276 ± 0.0001 Å |
| b | 8.1282 ± 0.0001 Å |
| c | 9.7632 ± 0.0001 Å |
| α | 90° |
| β | 101.239 ± 0.0007° |
| γ | 90° |
| Cell volume | 570.35 Å3 |
| Number of distinct elements | 4 |
| 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 | 0.065 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279539 (current) | 2022-11-24 | cif/6/00/00/ (saulius@starta) Adding coordinates and cell parameter e.s.u. from the original publication. Adding symmetry operators, Hall symbol and the ITC spacegroup number by intepreting the originaly reported space group 'C2/c' as having the standard setting. Adding Rwp, Rexp (background excluded), RI and mu values from the paper. |
6000077.cif |
| 188694 | 2016-11-26 | cif/6/00 (antanas@kurmis) Updating bibliography for multiple entries in range 6/00. |
6000077.cif |
| 176292 | 2016-02-09 | cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries. |
6000077.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
6000077.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
6000077.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. |
6000077.cif |
| 878 | 2009-11-19 | cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif |
6000077.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.