Materials Data on Tc3P by Materials Project

Abstract

Tc3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded in a 4-coordinate geometry to four equivalent P5+ atoms. There are three shorter (2.47 Å) and one longer (2.51 Å) Tc–P bond lengths. In the second Tc+1.67- site, Tc+1.67- is bonded in a distorted water-like geometry to two equivalent P5+ atoms. There are one shorter (2.53 Å) and one longer (2.56 Å) Tc–P bond lengths. In the third Tc+1.67- site, Tc+1.67- is bonded in a distorted bent 120 degrees geometry to two equivalent P5+ atoms. There are one shorter (2.34 Å) and one longer (2.35 Å) Tc–P bond lengths. P5+ is bonded in a 8-coordinate geometry to eight Tc+1.67- atoms.