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Information card for entry 7231272
Preview
Coordinates | 7231272.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C3 Ca Na4 O9 |
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Calculated formula | C3 Ca0.9997 Na4.0003 O9 |
Title of publication | Na4Ca(CO3)3: a novel carbonate analog of borate optical materials |
Authors of publication | Rashchenko, Sergey V.; Shatskiy, Anton F.; Arefiev, Anton V.; Seryotkin, Yurii V.; Litasov, Konstantin D. |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 35 |
Pages of publication | 5228 |
a | 14.577 ± 0.0005 Å |
b | 14.577 ± 0.0005 Å |
c | 14.577 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3097.45 ± 0.18 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 230 |
Hermann-Mauguin space group symbol | I a -3 d |
Hall space group symbol | -I 4bd 2c 3 |
Residual factor for all reflections | 0.0671 |
Residual factor for significantly intense reflections | 0.0462 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for significantly intense reflections | 2.87 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.54 |
Diffraction radiation probe | x-ray |
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/7231272.html
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Users of the data should acknowledge the original authors of the
structural data.