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Information card for entry 4123230
Preview
Coordinates | 4123230.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | AlPO4-54.xH2O |
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Formula | Al18 O111 P18 |
Calculated formula | Al18 O108 P18 |
Title of publication | Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure. |
Authors of publication | Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 2 |
Pages of publication | 584 - 587 |
a | 18.956 ± 0.002 Å |
b | 18.956 ± 0.002 Å |
c | 8.086 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2516.3 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Cell measurement pressure | 200000 kPa |
Ambient diffracton pressure | 200000 kPa |
Number of distinct elements | 3 |
Space group number | 173 |
Hermann-Mauguin space group symbol | P 63 |
Hall space group symbol | P 6c |
Residual factor for all reflections | 0.1828 |
Residual factor for significantly intense reflections | 0.0622 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1663 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.746 |
Diffraction radiation wavelength | 0.5 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179034 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/32. |
4123230.cif |
130646 | 2015-02-04 | cif/ Updating files of 4123227, 4123228, 4123229, 4123230, 4123231 Original log message: Adding full bibliography for 4123227--4123231.cif. |
4123230.cif |
129819 | 2015-01-17 | cif/ Adding structures of 4123230 via cif-deposit CGI script. |
4123230.cif |
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Users of the data should acknowledge the original authors of the
structural data.