Information card for entry 3000106

Structure parameters

• 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 ų
• 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