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Information card for entry 1568976
Preview
Coordinates | 1568976.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Rb3K6Li2Mn4Ga12S27Cl1 |
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Formula | Cl Ga12 K6 Li2 Mn4 Rb3 S27 |
Calculated formula | Cl Ga12 K6 Li2.0001 Mn3.9999 Rb3 S27 |
Title of publication | Breaking the bottleneck of simultaneously wide band gap and large nonlinear optical coefficient by a "pore reconstruction" strategy in a salt-inclusion chalcogenide. |
Authors of publication | Pei, Shao-Min; Liu, Bin-Wen; Chen, Wen-Fa; Jiang, Xiao-Ming; Guo, Guo-Cong |
Journal of publication | Materials horizons |
Year of publication | 2023 |
Journal volume | 10 |
Journal issue | 8 |
Pages of publication | 2921 - 2926 |
a | 22.0822 ± 0.0004 Å |
b | 22.0822 ± 0.0004 Å |
c | 6.1544 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2598.97 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 186 |
Hermann-Mauguin space group symbol | P 63 m c |
Hall space group symbol | P 6c -2c |
Residual factor for all reflections | 0.0617 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1829 |
Weighted residual factors for all reflections included in the refinement | 0.1883 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1568976.html
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