Materials Data on Eu3(GaP2)2 by Materials Project

Abstract

Eu3(GaP2)2 crystallizes in the monoclinic C2/c 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 distorted EuP6 octahedra that share corners with seven EuP6 octahedra, corners with six equivalent GaP4 tetrahedra, edges with six equivalent EuP6 octahedra, edges with three equivalent GaP4 tetrahedra, and a faceface with one EuP6 octahedra. The corner-sharing octahedra tilt angles range from 17–60°. There are a spread of Eu–P bond distances ranging from 2.94–3.38 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 GaP4 tetrahedra, edges with two equivalent EuP6 octahedra, edges with four equivalent GaP4 tetrahedra, and faces with two equivalent EuP6 octahedra. The corner-sharing octahedra tilt angles range from 35–60°. There are a spread of Eu–P bond distances ranging from 2.92–3.09 Å. Ga3+ is bonded to four P3- atoms to form GaP4 tetrahedra that share corners with eight EuP6 octahedra, corners with two equivalent GaP4 tetrahedra, edges with five EuP6 octahedra, and an edgeedge with one GaP4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–84°. There are a spread of Ga–P bond distances ranging from 2.40–2.47 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 Ga3+ atoms. In the second P3- site, P3- is bonded to four Eu2+ and two equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing PEu4Ga2 pentagonal pyramids.