The new zinc borate Zn 3 B 4 O 9 was synthesized at high-pressure/ high-temperature conditions of 10 GPa and 1173 K in a Walkertype multianvil pressure device. It crystallizes in the space group P � 1 (no. 2) with a = 5.5028(2) Å, b = 6.7150(3) Å, c = 7.8887(3) Å, α = 83.99(1)°, β = 73.38(1)°, γ = 74.75(1)°, V = 269.35(2) Å 3 , and two formula units (Z = 2) per unit cell. The structure was confirmed via single-crystal X-ray diffraction. Zn 3 B 4 O 9 can be synthesized phase pure, which is shown with a Rietveld refinement. IR-spectroscopic data of a powder sample were collected.
Dedicated to Professor Michael Ruck on the occasion of his 60th birthdayThe novel zinc borate Zn 2 B 10 O 17 was synthesized under highpressure/high-temperature conditions of 8 GPa and 1573 K in a multianvil apparatus. Single-crystal X-ray diffraction revealed a unique crystal structure that crystallizes in the orthorhombic non-centrosymmetric space group Pmc2 1 (no. 26) with a = 769.15(2), b = 711.14(2), c = 822.14(2) pm, V = 0.450(1) nm 3 and two formula units (Z = 2) per unit cell. The crystal structure is discussed, SHG measurements, and theoretical calculations at HSEsol level of theory were carried out. Herein, we reported about the novel zinc borate Zn 2 B 10 O 17 . It is synthesizable via high-pressure/high-temperature solid state reactions and features a unique crystal structure in the non-centrosymmetric space group Pmc2 1 (no. 26), which was confirmed by a SHGmeasurement. The structure of Zn 2 B 10 O 17 consists of an anionic borate framework, that is formed solely by (BO 4 ) units. The zinc atoms are located in channels along the a-axis and are tetrahedrally and octahedrally coordinated by oxygen atoms. The crystal structure was confirmed by MAPLE, CHARDI, and BL/ BS calculations. Furthermore, theoretical calculations at HSEsol level were performed to obtain insight into the band structure properties and the DOS of the zinc borate. Zn 2 B 10 O 17 is a colourless, ionic compound with a wide band gap of 8.4 eV and is therefore categorized as insulator.
At multianvil high-pressure/high-temperature conditions of 10 GPa and 1273 K, the first ternary tungsten tellurate WTe2O7 is formed, starting from a stoichiometric mixture of WO3 and TeO2. The compound crystallizes...
Monoclinic TeB4O8 was obtained in a Walker‐type multianvil apparatus at 10 GPa and 1273 K from TeO2 and B2O3. It crystallizes isotypically to the compounds AnB4O8 (An=Th, U) in the space group C2/c (Z=4) with the lattice parameters a=15.6978(8) Å, b=4.2284(2) Å, c=7.4305(4) Å, β=114.78(1)°, and V=447.80(4) Å3. Further, it has been characterized via X‐ray diffraction experiments and IR spectroscopy.
The first high-pressure scandium tellurate HP-Sc2TeO6 was synthesized from an NP-Sc2TeO6 normal-pressure precursor at 12 GPa and 1173 K using a multianvil apparatus (1000 t press, Walker-type module). The compound crystallizes in the monoclinic space group P2/c (no. 13) with a = 729.43(3), b = 512.52(2), c = 1095.02(4) pm and β = 103.88(1)°. The structure was refined from X-ray single-crystal diffractometer data: R1 = 0.0261, wR2 = 0.0344, 568 F2 values and 84 variables. HP-Sc2TeO6 is isostructural to Yb2WO6 and is built up from TeO6 octahedra, typical for tellurate(VI) compounds. During synthesis, a reconstructive transition from P321 (normal-pressure modification) to P2/c (high-pressure modification) takes place and the scandium–oxygen distances as well as the coordination number of scandium increase. However, the coordination sphere around the Te6+ cations gets only slightly distorted. High-temperature powder XRD investigations revealed a back-transformation of HP-Sc2TeO6 to the ambient-pressure modification above 973 K.
Ag2B4O7 is synthesized at high‐pressure/high‐temperature conditions of 11 GPa and 1073 K in a multianvil device. It crystallizes in the monoclinic centrosymmetric space group P21/c (no. 14) with four formula units per unit cell (Z=4). The cell parameters are a=787.53(3), b=651.63(2), c=943.88(3) pm, β=107.911(2)°, and V=460.90(3) Å3. Ag2B4O7 crystallizes in a unique crystal structure that consists of complex anionic borate layers with Ag+ ions in between. Additionally, the silver cations show argentophilic interactions. The compound was analysed via single‐crystal and powder diffraction as well as infrared spectroscopy. Furthermore, theoretical calculations at HSEsol level were conducted.
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