Materials Data on TaTe4 by Materials Project

Abstract

TaTe4 crystallizes in the tetragonal P4/ncc space group. The structure is one-dimensional and consists of four TaTe4 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are a spread of Ta–Te bond distances ranging from 2.82–3.00 Å. In the second Ta5+ site, Ta5+ is bonded in a 8-coordinate geometry to eight Te+1.25- atoms. There are four shorter (2.91 Å) and four longer (2.93 Å) Ta–Te bond lengths. There are three inequivalent Te+1.25- sites. In the first Te+1.25- site, Te+1.25- is bonded in a 3-coordinate geometry to two Ta5+ atoms. In the second Te+1.25- site, Te+1.25- is bonded in a 2-coordinate geometry to two equivalent Ta5+ atoms. In the third Te+1.25- site, Te+1.25- is bonded in a 3-coordinate geometry to two Ta5+ atoms.