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Information card for entry 4002180
Preview
| Coordinates | 4002180.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ag0.31 Ba0.5 S0.79 Se0.54 Sn0.33 |
|---|---|
| Calculated formula | Ag0.3065 Ba0.5 S0.794333 Se0.539 Sn0.333333 |
| Title of publication | Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex |
| Authors of publication | Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2015 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 1316 |
| a | 14.9596 ± 0.0002 Å |
| b | 14.9596 ± 0.0002 Å |
| c | 14.9596 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3347.8 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 220 |
| Hermann-Mauguin space group symbol | I -4 3 d |
| Hall space group symbol | I -4bd 2c 3 |
| Residual factor for all reflections | 0.0202 |
| Residual factor for significantly intense reflections | 0.0202 |
| Weighted residual factors for significantly intense reflections | 0.052 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4002180.cif |
| 132772 | 2015-03-04 | cif/ Updating files of 4002177, 4002178, 4002179, 4002180, 4002181 Original log message: Adding full bibliography for 4002177--4002181.cif. |
4002180.cif |
| 131597 | 2015-02-10 | cif/ Adding structures of 4002177, 4002178, 4002179, 4002180, 4002181 via cif-deposit CGI script. |
4002180.cif |
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Users of the data should acknowledge the original authors of the
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