Materials Data on U(CoP)2 by Materials Project

Abstract

UCo2P2 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.95 Å) and four longer (2.97 Å) U–P bond lengths. In the second U3+ site, U3+ is bonded in a 8-coordinate geometry to eight P3- atoms. There are four shorter (2.94 Å) and four longer (2.97 Å) U–P bond lengths. There are three inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.21 Å) and one longer (2.24 Å) Co–P bond lengths. In the second Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five P3- atoms. There are four shorter (2.21 Å) and one longer (2.22 Å) Co–P bond lengths. In the third Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.31 Å) Co–P bond lengths. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent U3+ and five Co+1.50+ atoms. In the second P3- site, P3- is bonded in a 4-coordinate geometry to four U3+ and four Co+1.50+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent U3+ and five Co+1.50+ atoms.