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Information card for entry 1561739
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1561739.cif |
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Original paper (by DOI) | HTML |
Common name | Ba8PdU2Se16 |
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Formula | Ba8 Pd Se16 U2 |
Calculated formula | Ba8 Pd Se16 U2 |
SMILES | [U]1([Se][Pd]2([Se][U]([Se]2)([Se])([Se])([Se])[Se])[Se]1)([Se])([Se])([Se])[Se].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[Se-][Se-].[Ba+2].[Ba+2].[Se-][Se-].[Ba+2] |
Title of publication | Synthesis, crystal structure, resistivity, and electronic structure of the U(V) quaternary polyselenide Ba8PdU2Se12(Se2)2 |
Authors of publication | Prakash, Jai; Mesbah, Adel; Lebègue, Sébastien; Malliakas, Christos D.; Ibers, James A. |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2015 |
Journal volume | 230 |
Pages of publication | 70 - 74 |
a | 9.49 ± 0.0019 Å |
b | 12.24 ± 0.002 Å |
c | 13.78 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1600.7 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 58 |
Hermann-Mauguin space group symbol | P n n m |
Hall space group symbol | -P 2 2n |
Residual factor for all reflections | 0.0311 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0669 |
Weighted residual factors for all reflections included in the refinement | 0.0677 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.33 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1561739.html
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