Crystal Structure and Properties of a UV‐Transparent High‐Pressure Polymorph of Mg₃TeO₆ with Second Harmonic Generation Response

Abstract

Mg 3 TeO 6 can be synthesized at ambient pressure conditions and temperatures of 920-1070 K in a centrosymmetric, rhombohedral structure-type (R3). By means of high-pressure/high-temperature synthesis at 12.5 GPa and 1570 K a new, colorless, non-centrosymmetric high-pressure (HP) phase of Mg 3 TeO 6 is formed, crystallizing in the Ni 3 TeO 6 -type structure with the following unit cell parameters and refinement results: R3, a = 513.82(7) pm, c = 1380.7(2) pm, V = 31.57(1) nm 3 , R1 = 0.0283, wR2 = 0.0732, and GooF = 1.096. High-temperature PXRD measurements on HP-Mg 3 TeO 6 revealed exceptionally [a]

Robust Yellow-Violet Pigments Tuned by Site-Selective Manganese Chromophores

“…The refined plots and crystallographic data of HP-MTO-0.1ML are given in Figure b and Table S7. The crystal structure of HP-MTO-0.1ML is comparable to that of the reported polymorph prepared at a much higher pressure and temperature (12.5 GPa and 1570 K) . The octahedral MgO 6 and TeO 6 are edge- and face-sharing in the ab plane and along the c axis, respectively, forming a honeycomb-like arrangement and face-shared pairs.…”

“…The crystal structure of HP-MTO-0.1ML is comparable to that of the reported polymorph prepared at a much higher pressure and temperature (12.5 GPa and 1570 K). 71 The octahedral MgO 6 and TeO 6 are edgeand face-sharing in the ab plane and along the c axis, respectively, forming a honeycomb-like arrangement and faceshared pairs. According to the refinement results, Mg 2+ has three octahedral sites (Figure 4c) and the parent-doped Mn 3+ -Li + is found to coexist at the Mg2O 6 site.…”

Multianvil high-pressure/high-temperature synthesis and characterization of magnetoelectric HP-Co3TeO6

“…4 shows three strong bands in the range of 400-700 cm À1 , that can be assigned to n 3 , n 4 and n 5 modes (C 3 site symmetry) of the TeO 6 -octahedra. The assignment of the bands was done according to the isotypic compound Mg 3 TeO 6 55 and Ni 3 TeO 6 . 56 As a consequence of the acentric space group R3, the site symmetry of the TeO 6octahedra is C 3 instead of O h and the n 3 , n 4 , and n 5 vibrations are split.…”

“…57,58 It should be kept in mind that the modes are complex framework vibrations and an allocation to isolated stretching or bending modes of the TeO 6 -and CoO 6 -units is only possible in a first approximation, as calculations showed. 55 UV-Vis. The reflectance UV-Vis spectra of HP-Co 3 TeO 6 shows two peaks at 460 nm and 675 nm (see Fig.…”

Two new tellurite halides with cationic layers: syntheses, structures, and characterizations of CdPb2Te3O8Cl2 and Cd13Pb8Te14O42Cl14

“…The tellurium( iv ) atom can be coordinated with 3-, 4- and 5-oxygen atoms to form TeO 3 , TeO 4 and TeO 5 polyhedral units, which can be further interconnected to form various tellurium( iv ) oxides, such as one dimensional (1D) chains, two dimensional (2D) layers and three dimensional (3D) frameworks, showing abundant structural diversity and adjustable photoelectric properties. 8–11 Therefore, over the past decades, a great number of metal tellurites, such as MTeMoO 6 (M = Cd, Mg, and Zn), 12–14 BaMo 2 TeO 9 , 15 Na 2 W 2 TeO 9 , 16 Bi 2 TeO 5 , 17 Co 3 TeO 6 , 18 Li 2 Ni 2 TeO 6 , 6 Mg 3 TeO 6 , 19 InNb(TeO 4 ) 2 , 20 Hg 2 Cu 3 (Te 3 O 8 ) 2 , 21 Li 2 MTeO 6 (M = Ti and Sn), 22 and Ba(MoO 2 F) 2 (QO 3 ) 2 (Q = Se and Te) 23 have been designed and fabricated.…”