Lone-pair self-containment in pyritohedron-shaped closed cavities: optimized hydrothermal synthesis, structure, magnetism and lattice thermal conductivity of Co₁₅F₂(TeO₃)₁₄

Abstract

Co15F2(TeO3)14 features an extremely rare example of the Te(iv) lone pairs self-containment in pyritohedron-shaped [(TeO3)14]28− units, which allows Te atom to vibrate with large amplitude, leading to extremely low lattice thermal conductivity.

Phase formation studies and crystal structure refinements in the MnII/TeIV/O/(H) system

“…The structure of Mn 15 (TeO 3 ) 14 (OH) 2 is isotypic with that of recently discovered Co 15 (TeO 3 ) 14 F 2 , [45] with the hydroxide group occupying the fluorine position. Bond lengths of the two structures are compared in Table 5.…”

Synthesis, Crystal Structure, and Magnetism in Fluoride Sulfates, A2VF3(SO4) (A = K, Rb, Cs)

“…We initially located all other atoms by a charge-flipping program and then refined on F with full-matrix least-squares methods using the Jana 2006 program . The fluorine atoms were finally confirmed by bond valence sum (BVS) calculations and local difference Fourier maps of the designated anions, together with the analysis of balanced charges for all atoms. − The final refined model yielded reasonable charges for the A, V, S, and F atoms, as provided in Table S1. Tables S2–S7 list the refined atomic coordinates and anisotropic displacement parameters.…”

Synthesis, structure and characterization of Cd2TeO3Cl2 with unprecedented [Cd2O6Cl4] octahedral dimers

“…Compared with metal elements, tellurium( iv ) can form a variety of low-coordinated motifs, such as trigonal pyramidal [TeO 3 ], seesaw [TeO 4 ], and square pyramidal [TeO 5 ], 39–41 due to the relatively close orbital energies of Te 5 s and 5 p . 42–44 Hence, combining heavy metal oxide halides with Te-containing oxides could be a feasible way to develop new functional materials, and a great number of experimental investigations have been implemented in metal tellurate oxide halide systems.…”