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Information card for entry 1508971
Preview
| Coordinates | 1508971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Mineral name | Vaterite |
|---|---|
| Formula | C9 Ca9 O27 |
| Calculated formula | C9 Ca9 O27 |
| Title of publication | Ab Initio Structure Determination of Vaterite by Automated Electron Diffraction |
| Authors of publication | Mugnaioli, E.; Andrusenko, I.; Schüler, T.; Loges, N.; Panthöfer, M.; Dinnebier, R. E.; Tremel, W.; Kolb, U. |
| Journal of publication | Angewandte Chemie International Edition |
| Year of publication | 2012 |
| Journal volume | 51 |
| Journal issue | 28 |
| Pages of publication | 7041 - 7045 |
| a | 12.17 Å |
| b | 7.12 Å |
| c | 25.32 Å |
| α | 90° |
| β | 99.22° |
| γ | 90° |
| Cell volume | 2165.64 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | C -1 |
| Hall space group symbol | -P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z) |
| Residual factor for all reflections | 0.4676 |
| Residual factor for significantly intense reflections | 0.4558 |
| Weighted residual factors for significantly intense reflections | 0.8028 |
| Weighted residual factors for all reflections included in the refinement | 0.8102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 4.991 |
| Diffraction radiation probe | electron |
| Diffraction radiation wavelength | 0.0197 Å |
| Diffraction radiation type | electrons |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1508971.cif |
| 106542 | 2014-03-15 | cod/ (saulius@kolibris) Manually fixing _diffrn_radiation_probe for 13 COD CIFs. |
1508971.cif |
| 77796 | 2013-03-29 | cif/1/50/ (saulius@koala.ibt.lt) Updating bibliography and mineral name in entries 1508970.cif and 1508971.cif. |
1508971.cif |
| 77581 | 2013-03-28 | cif/ Adding structures of 1508971 via cif-deposit CGI script. |
1508971.cif |
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