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Information card for entry 2022905
Preview
Coordinates | 2022905.cif |
---|---|
Structure factors | 2022905.hkl |
Original IUCr paper | HTML |
Common name | meyerhofferite |
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Formula | B3 Ca H7 O9 |
Calculated formula | B3 Ca O9 |
Title of publication | Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite) |
Authors of publication | Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael |
Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
Year of publication | 2021 |
Journal volume | 77 |
Journal issue | 6 |
Pages of publication | 940 - 945 |
a | 6.095 ± 0.003 Å |
b | 7.559 ± 0.0002 Å |
c | 6.7696 ± 0.0002 Å |
α | 97.576 ± 0.003° |
β | 107.579 ± 0.014° |
γ | 100.34 ± 0.011° |
Cell volume | 286.68 ± 0.14 Å3 |
Cell temperature | 293 ± 1 K |
Ambient diffraction temperature | 293 ± 1 K |
Cell measurement pressure | 5100000 kPa |
Ambient diffracton pressure | 5100000 kPa |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0531 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.0648 |
Weighted residual factors for all reflections included in the refinement | 0.0651 |
Goodness-of-fit parameter for significantly intense reflections | 3.61 |
Goodness-of-fit parameter for all reflections included in the refinement | 3.49 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.41066 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2022905.html
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Users of the data should acknowledge the original authors of the
structural data.