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Information card for entry 3000106
Preview
| Coordinates | 3000106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B2 Ba O4 |
|---|---|
| Calculated formula | B0.666667 Ba0.333333 O1.33333 |
| Title of publication | Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations |
| Authors of publication | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav |
| Journal of publication | Crystals |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 3 |
| Pages of publication | 93 |
| a | 7.242 ± 0.006 Å |
| b | 7.242 ± 0.006 Å |
| c | 39.25 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1783 ± 2 Å3 |
| Cell temperature | 673 K |
| Ambient diffraction temperature | 673 K |
| Number of distinct elements | 3 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265307 (current) | 2021-05-18 | cif/3/ Released structures 3000098-3000122 into public domain as published material. |
3000106.cif |
| 191809 | 2017-02-06 | cif/ Adding structures of 3000106 via cif-deposit CGI script. |
3000106.cif |
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Users of the data should acknowledge the original authors of the
structural data.