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Information card for entry 4307096
Preview
| Coordinates | 4307096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | lutetium metaphosphate |
|---|---|
| Formula | Lu O9 P3 |
| Calculated formula | Lu O9 P3 |
| Title of publication | Crystal Structures of Incommensurately Modulated Ln(PO3)3 (Ln = Tb-Yb) and Commensurate Gd(PO3)3 and Lu(PO3)3 |
| Authors of publication | Henning A. Höppe; Stefan J. Sedlmaier |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 3467 - 3474 |
| a | 13.972 ± 0.0013 Å |
| b | 20.018 ± 0.0016 Å |
| c | 9.9556 ± 0.0009 Å |
| α | 90° |
| β | 127.351 ± 0.006° |
| γ | 90° |
| Cell volume | 2213.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179108 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/70. |
4307096.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4307096.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307096.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307096.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307096.cif |
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Users of the data should acknowledge the original authors of the
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