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Information card for entry 4128984
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Coordinates | 4128984.cif |
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Original paper (by DOI) | HTML |
Common name | copper iodide triselenide |
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Formula | Cu2 I2 Se6 |
Calculated formula | Cu2.00067 I2 Se6 |
Title of publication | Pressure-Induced Superconductivity and Flattened Se<sub>6</sub> Rings in the Wide Band Gap Semiconductor Cu<sub>2</sub>I<sub>2</sub>Se<sub>6</sub>. |
Authors of publication | Cai, Weizhao; Lin, Wenwen; Li, Long-Hua; Malliakas, Christos D.; Zhang, Rong; Groesbeck, Matthew; Bao, Jin-Ke; Zhang, Dongzhou; Sterer, Eran; Kanatzidis, Mercouri G.; Deemyad, Shanti |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 38 |
Pages of publication | 15174 - 15182 |
a | 12.939 ± 0.0006 Å |
b | 12.939 ± 0.0006 Å |
c | 10.9066 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1581.3 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Cell measurement pressure | 27800000 kPa |
Number of distinct elements | 3 |
Space group number | 166 |
Hermann-Mauguin space group symbol | R -3 m :H |
Hall space group symbol | -R 3 2" |
Residual factor for all reflections | 0.0603 |
Residual factor for significantly intense reflections | 0.0603 |
Weighted residual factors for significantly intense reflections | 0.1454 |
Weighted residual factors for all reflections included in the refinement | 0.1454 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.174 |
Diffraction radiation wavelength | 0.4325 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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