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...
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.
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.
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