Materials Data on Ta3P by Materials Project

Abstract

Ta3P crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. Both Ta–P bond lengths are 2.58 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent P atoms. There are two shorter (2.59 Å) and two longer (2.60 Å) Ta–P bond lengths. In the third Ta site, Ta is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. Both Ta–P bond lengths are 2.59 Å. P is bonded in a 8-coordinate geometry to eight Ta atoms.