DOI: 10.17188/1201926
title: Materials Data on Re2P5 by Materials Project

description: Re2P5 is Hausmannite-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Re+3.50+ sites. In the first Re+3.50+ site, Re+3.50+ is bonded to six P+1.40- atoms to form ReP6 octahedra that share corners with five ReP6 octahedra, corners with seven PReP3 tetrahedra, and edges with three ReP6 octahedra. The corner-sharing octahedra tilt angles range from 45–63°. There are a spread of Re–P bond distances ranging from 2.29–2.57 Å. In the second Re+3.50+ site, Re+3.50+ is bonded to six P+1.40- atoms to form ReP6 octahedra that share corners with five ReP6 octahedra, corners with six PRe3P tetrahedra, and edges with three ReP6 octahedra. The corner-sharing octahedra tilt angles range from 36–59°. There are a spread of Re–P bond distances ranging from 2.35–2.61 Å. In the third Re+3.50+ site, Re+3.50+ is bonded to six P+1.40- atoms to form ReP6 octahedra that share corners with five ReP6 octahedra, corners with seven PReP3 tetrahedra, and edges with three ReP6 octahedra. The corner-sharing octahedra tilt angles range from 36–55°. There are a spread of Re–P bond distances ranging from 2.30–2.48 Å. In the fourth Re+3.50+ site, Re+3.50+ is bonded to six P+1.40- atoms to form ReP6 octahedra that share corners with five ReP6 octahedra, corners with eight PRe3P tetrahedra, and edges with two equivalent ReP6 octahedra. The corner-sharing octahedra tilt angles range from 45–63°. There are a spread of Re–P bond distances ranging from 2.30–2.59 Å. There are ten inequivalent P+1.40- sites. In the first P+1.40- site, P+1.40- is bonded in a 4-coordinate geometry to four Re+3.50+ atoms. In the second P+1.40- site, P+1.40- is bonded to three Re+3.50+ and one P+1.40- atom to form distorted PRe3P tetrahedra that share a cornercorner with one ReP6 octahedra and corners with twelve PRe3P tetrahedra. The corner-sharing octahedral tilt angles are 74°. The P–P bond length is 2.23 Å. In the third P+1.40- site, P+1.40- is bonded in a 4-coordinate geometry to three Re+3.50+ and one P+1.40- atom. The P–P bond length is 2.11 Å. In the fourth P+1.40- site, P+1.40- is bonded to three Re+3.50+ and one P+1.40- atom to form distorted PRe3P tetrahedra that share a cornercorner with one ReP6 octahedra and corners with twelve PRe3P tetrahedra. The corner-sharing octahedral tilt angles are 58°. The P–P bond length is 2.27 Å. In the fifth P+1.40- site, P+1.40- is bonded to one Re+3.50+ and three P+1.40- atoms to form distorted PReP3 tetrahedra that share corners with five ReP6 octahedra and corners with seven PRe3P tetrahedra. The corner-sharing octahedra tilt angles range from 59–73°. There are one shorter (2.24 Å) and one longer (2.27 Å) P–P bond lengths. In the sixth P+1.40- site, P+1.40- is bonded to one Re+3.50+ and three P+1.40- atoms to form PReP3 tetrahedra that share corners with six ReP6 octahedra and corners with seven PRe3P tetrahedra. The corner-sharing octahedra tilt angles range from 55–81°. The P–P bond length is 2.26 Å. In the seventh P+1.40- site, P+1.40- is bonded to two Re+3.50+ and two P+1.40- atoms to form distorted PRe2P2 tetrahedra that share corners with five ReP6 octahedra and corners with seven PRe3P tetrahedra. The corner-sharing octahedra tilt angles range from 41–57°. The P–P bond length is 2.18 Å. In the eighth P+1.40- site, P+1.40- is bonded to two equivalent Re+3.50+ and two P+1.40- atoms to form distorted PRe2P2 tetrahedra that share corners with three ReP6 octahedra, corners with seven PRe3P tetrahedra, and an edgeedge with one PRe2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 65–74°. The P–P bond length is 2.22 Å. In the ninth P+1.40- site, P+1.40- is bonded to two Re+3.50+ and two P+1.40- atoms to form distorted PRe2P2 tetrahedra that share corners with four ReP6 octahedra and corners with nine PRe3P tetrahedra. The corner-sharing octahedra tilt angles range from 67–73°. The P–P bond length is 2.23 Å. In the tenth P+1.40- site, P+1.40- is bonded to three Re+3.50+ and one P+1.40- atom to form distorted PRe3P tetrahedra that share corners with three ReP6 octahedra and corners with nine PRe3P tetrahedra. The corner-sharing octahedra tilt angles range from 64–75°. The P–P bond length is 2.26 Å.