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Information card for entry 2108176
Preview
| Coordinates | 2108176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Phosphoric acid |
|---|---|
| Chemical name | Phosphoric acid |
| Formula | D3 O4 P |
| Calculated formula | D3 O4 P |
| SMILES | P(=O)(O[2H])(O[2H])O[2H] |
| Title of publication | A new high-pressure polymorph of phosphoric acid |
| Authors of publication | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 1068 - 1074 |
| a | 4.5868 ± 0.0007 Å |
| b | 8.4232 ± 0.0013 Å |
| c | 14.2653 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 551.15 ± 0.14 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Cell measurement pressure | 2.78 kPa |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| RFsqd | 0.1234 |
| Goodness-of-fit parameter for all reflections | 0.96 |
| Method of determination | powder diffraction |
| Diffraction radiation type | Neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205692 (current) | 2018-01-26 | cif/ Adding structures of 2108158, 2108159, 2108160, 2108161, 2108162, 2108163, 2108164, 2108165, 2108166, 2108167, 2108168, 2108169, 2108170, 2108171, 2108172, 2108173, 2108174, 2108175, 2108176, 2108177, 2108178, 2108179, 2108180, 2108181, 2108182, 2108183, 2108184, 2108185, 2108186 via cif-deposit CGI script. |
2108176.cif |
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Users of the data should acknowledge the original authors of the
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