Materials Data on U(Cr3P2)2 by Materials Project
U(Cr3P2)2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. U is bonded to six Cr and six P atoms to form distorted UCr6P6 cuboctahedra that share corners with four equivalent CrU2P4 tetrahedra, edges with eight CrU2P4 tetrahedra, and faces with two equivalent UCr6P6 cuboctahedra. There are two shorter (2.97 Å) and four longer (3.01 Å) U–Cr bond lengths. There are four shorter (2.84 Å) and two longer (2.87 Å) U–P bond lengths. There are four inequivalent Cr sites. In the first Cr site, Cr is bonded to two equivalent U and four P atoms to form distorted CrU2P4 tetrahedra that share corners with two equivalent UCr6P6 cuboctahedra, corners with ten CrU2P4 tetrahedra, edges with three equivalent UCr6P6 cuboctahedra, edges with five equivalent CrU2P4 tetrahedra, and faces with two CrU2P4 tetrahedra. There are a spread of Cr–P bond distances ranging from 2.33–2.35 Å. In the second Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Cr–P bond distances ranging from 2.39–2.41 Å. In the third Cr site, Cr is bonded to two equivalent U and four P atoms to form distorted CrU2P4 tetrahedra that share corners with four equivalent CrU2P4 tetrahedra, edges with two equivalent UCr6P6 cuboctahedra, edges with two equivalent CrU2P4 tetrahedra, and faces with two equivalent CrU2P4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.35 Å) Cr–P bond lengths. In the fourth Cr site, Cr is bonded in a 5-coordinate geometry to five P atoms. There are four shorter (2.39 Å) and one longer (2.48 Å) Cr–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to eight Cr atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent U and six Cr atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Cr atoms.