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Information card for entry 2108244
Preview
| Coordinates | 2108244.cif |
|---|---|
| Structure factors | 2108244.hkl |
| Original IUCr paper | HTML |
| Mineral name | labradorite |
|---|---|
| Formula | Al1.6 Ca0.6 Na0.4 O8 Si2.4 |
| Calculated formula | Al3.866 Ca0.789 O8 |
| Title of publication | Revisiting the <i>I</i>{øverline <b>1</b>} structures of high-temperature Ca-rich plagioclase feldspar ‒ a single-crystal neutron and X-ray diffraction study |
| Authors of publication | Jin, Shiyun; Wang, Xiaoping; Xu, Huifang |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| a | 8.1602 ± 0.0001 Å |
| b | 12.8612 ± 0.0001 Å |
| c | 14.1975 ± 0.0001 Å |
| α | 93.5348 ± 0.0011° |
| β | 116.118 ± 0.0011° |
| γ | 90.4334 ± 0.0008° |
| Cell volume | 1334.33 ± 0.03 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | I -1 |
| Hall space group symbol | -P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z) |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0804 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for significantly intense reflections | 1.63 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.27 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207153 (current) | 2018-03-28 | cif/ hkl/ Adding structures of 2108233, 2108234, 2108235, 2108236, 2108237, 2108238, 2108239, 2108240, 2108241, 2108242, 2108243, 2108244 via cif-deposit CGI script. |
2108244.cif 2108244.hkl |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.