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Information card for entry 7228407
Preview
Coordinates | 7228407.cif |
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Original paper (by DOI) | HTML |
Formula | Ba Cu2 Se4 Si |
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Calculated formula | Ba Cu2 Se4 Si |
Title of publication | BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations |
Authors of publication | Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie |
Journal of publication | RSC Adv. |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 47 |
Pages of publication | 29378 |
a | 6.4188 ± 0.0019 Å |
b | 6.4188 ± 0.0019 Å |
c | 16.083 ± 0.01 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 573.9 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 154 |
Hermann-Mauguin space group symbol | P 32 2 1 |
Hall space group symbol | P 32 2" |
Residual factor for all reflections | 0.031 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for significantly intense reflections | 0.0437 |
Weighted residual factors for all reflections included in the refinement | 0.0449 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
197598 (current) | 2017-06-07 | cif/ Adding structures of 7228407, 7228408, 7228409, 7228410, 7228411 via cif-deposit CGI script. |
7228407.cif |
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