Abstract
The new titanium borate was synthesized under high-pressure/high-temperature conditions in a Walker-type multianvil apparatus at 7.5 GPa and 1350 °C. Ti 5B 12O 26 is built up exclusively from corner-sharing BO 4-tetrahedra and shows a structural relation to the Zintl phase NaTl. Consisting of B 12O 26-clusters as fundamental building blocks, the structure of Ti 5B 12O 26 can be described via two interpenetrating diamond structures as in NaTl, where each atom corresponds to one B 12O 26-cluster. The tetragonal titanium borate crystallizes with eight formula units in the space group I4 1/ acd and exhibits lattice parameters of a=1121.1(2) pm and c=2211.5(4) pm. Ti 5B 12O 26 is a mixed-valent compound with Ti III and Ti IV cations. The environment of the titanium cations, as well as charge distribution calculations, leads us to the assumption that Ti III and Ti IV are located on different crystallographic sites.
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