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Information card for entry 2018013
Preview
| Coordinates | 2018013.cif |
|---|---|
| Structure factors | 2018013.hkl |
| Original IUCr paper | HTML |
| Common name | panitite |
|---|---|
| Chemical name | sodium calcium magnesium tetrakis(phosphate) |
| Formula | Ca1.5 Mg12.5 Na8 O48 P12 |
| Calculated formula | Ca1.5 Mg12.5 Na8 O48 P12 |
| Title of publication | Structure and ^31^P NMR spectroscopy of a new phosphate, Na~8~Ca~1.5~Mg~12.5~(PO~4~)~12~ |
| Authors of publication | Jerbi, Hasna; Hidouri, Mourad; Rzeigui, Mohamed; Ben Amara, Mongi |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | i17 - i20 |
| a | 10.185 ± 0.008 Å |
| b | 14.86 ± 0.008 Å |
| c | 25.61 ± 0.009 Å |
| α | 90° |
| β | 90.87 ± 0.02° |
| γ | 90° |
| Cell volume | 3876 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180849 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/80. |
2018013.cif 2018013.hkl |
| 176435 | 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. |
2018013.cif 2018013.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018013.cif 2018013.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018013.cif 2018013.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018013.cif 2018013.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2018013.cif 2018013.hkl |
| 17494 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2018013 via cif-deposit CGI script. |
2018013.cif |
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Users of the data should acknowledge the original authors of the
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