Materials Data on Eu3(InP2)2 by Materials Project

Abstract

Eu3In2P4 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to six P3- atoms to form EuP6 octahedra that share corners with seven EuP6 octahedra, corners with six equivalent InP4 tetrahedra, edges with six equivalent EuP6 octahedra, edges with three equivalent InP4 tetrahedra, and a faceface with one EuP6 octahedra. The corner-sharing octahedra tilt angles range from 16–54°. There are a spread of Eu–P bond distances ranging from 2.99–3.50 Å. In the second Eu2+ site, Eu2+ is bonded to six P3- atoms to form EuP6 octahedra that share corners with ten equivalent EuP6 octahedra, corners with four equivalent InP4 tetrahedra, edges with two equivalent EuP6 octahedra, edges with four equivalent InP4 tetrahedra, and faces with two equivalent EuP6 octahedra. The corner-sharing octahedra tilt angles range from 33–54°. There are four shorter (2.94 Å) and two longer (3.13 Å) Eu–P bond lengths. In3+ is bonded to four P3- atoms to form InP4 tetrahedra that share corners with eight EuP6 octahedra, corners with two equivalent InP4 tetrahedra, edges with five EuP6 octahedra, and an edgeedge with one InP4 tetrahedra. The corner-sharing octahedra tilt angles range from 20–68°. There are a spread of In–P bond distances ranging from 2.59–2.66 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to five Eu2+ and two equivalent In3+ atoms. In the second P3- site, P3- is bonded to four Eu2+ and two equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing PEu4In2 pentagonal pyramids.