Materials Data on Th(CoP)2 by Materials Project

Abstract

Th(CoP)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Th4+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (3.03 Å) and four longer (3.05 Å) Th–P bond lengths. There are two inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.34 Å. In the second Co1+ site, Co1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.25 Å) and one longer (2.35 Å) Co–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent Th4+ and four equivalent Co1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Th4+ and five Co1+ atoms.