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Information card for entry 2238575
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| Coordinates | 2238575.cif |
|---|---|
| Structure factors | 2238575.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexacopper(II) calcium/yttrium tris(arsenate/phosphate) hexahydroxide trihydrate |
|---|---|
| Formula | As2.48 Ca0.31 Cu5.7 H12 O21 P0.51 Y0.69 |
| Calculated formula | As2.484 Ca0.31 Cu5.7 O20.9998 P0.516 Y0.69 |
| Title of publication | Agardite-(Y), Cu^2+^~6~Y(AsO~4~)~3~(OH)~6~·3H~2~O |
| Authors of publication | Morrison, Shaunna M.; Domanik, Kenneth J.; Origlieri, Marcus J.; Downs, Robert T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | i61 - i62 |
| a | 13.5059 ± 0.0005 Å |
| b | 13.5059 ± 0.0005 Å |
| c | 5.8903 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 930.5 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181307 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/85. |
2238575.cif 2238575.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. |
2238575.cif 2238575.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238575.cif 2238575.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238575.cif 2238575.hkl |
| 88720 | 2013-10-02 | cif/ Adding structures of 2238575 via cif-deposit CGI script. |
2238575.cif |
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