"BI3B5O12; BIB3O6; OXIDE; BABIBO4; SOLIDS"@en . "A non-centrosymmetric borate, CaBiGaB2O7, has been grown by a solid-state reaction method at a temperature below 700 degrees C. The single-crystal x-ray structural analysis has shown that it crystallizes in the tetragonal space group P (4) over bar2(1)m with a = 0.7457( 1) nm, c = 0.4834(1) nm, Z = 2. It has a three-dimensional (3D) structure in which [B2O7](8-) groups are bridged by [GaO4](5-) tetrahedra through shared O atoms to form 2D (2)(infinity)[GaB2O7](5-) layers that are further linked by Bi3+/Ca2+ cations giving rise to the final 3D framework. The IR spectrum confirms the presence of [BO4](5-) groups and the UV-vis diffuse reflectance spectrum shows that the optical band gap is about 2.9 eV. This value is compared with our band structure calculations using the full potential linearized augmented plane wave approach within the framework of the Engel-Vosko GGA formalism." . . . "RIV/60076658:12640/09:00010051!RIV10-MSM-12640___" . "7"^^ . "000265418600025" . . "A non-centrosymmetric borate, CaBiGaB2O7, has been grown by a solid-state reaction method at a temperature below 700 degrees C. The single-crystal x-ray structural analysis has shown that it crystallizes in the tetragonal space group P (4) over bar2(1)m with a = 0.7457( 1) nm, c = 0.4834(1) nm, Z = 2. It has a three-dimensional (3D) structure in which [B2O7](8-) groups are bridged by [GaO4](5-) tetrahedra through shared O atoms to form 2D (2)(infinity)[GaB2O7](5-) layers that are further linked by Bi3+/Ca2+ cations giving rise to the final 3D framework. The IR spectrum confirms the presence of [BO4](5-) groups and the UV-vis diffuse reflectance spectrum shows that the optical band gap is about 2.9 eV. This value is compared with our band structure calculations using the full potential linearized augmented plane wave approach within the framework of the Engel-Vosko GGA formalism."@en . . "345092" . . . . "12640" . "Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7"@en . "5"^^ . "Kityk, I. V." . "20" . "21" . . "Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7" . "RIV/60076658:12640/09:00010051" . . . "Journal of Physics-Condensed Matter" . . "Reshak, Ali Hussain" . . . "1"^^ . . "Reshak, Ali Hussain" . "Z(MSM6007665808)" . "[022C34988A40]" . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . . "Song, Fangping" . . "Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7"@en . "Chen, Xuean" . "0953-8984" . "Synthesis, IR, UV-vis spectra, x-ray diffraction and band structure of a non-centrosymmetric borate single-crystal CaBiGaB2O7" . "Auluck, S." .