Materials Data on TiAs2 by Materials Project

Kristin Persson
TiAs2 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Ti–As bond distances ranging from 2.68–2.71 Å. In the second Ti4+ site, Ti4+ is bonded in a 9-coordinate geometry to nine As2- atoms. There are a spread of Ti–As bond distances...
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