Materials Data on YP5 by Materials Project

Abstract

YP5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight P+0.60- atoms. There are a spread of Y–P bond distances ranging from 2.94–3.03 Å. There are three inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded to two equivalent Y3+ and two P+0.60- atoms to form a mixture of edge and corner-sharing PY2P2 tetrahedra. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.60- site, P+0.60- is bonded to two equivalent Y3+ and two equivalent P+0.60- atoms to form distorted corner-sharing PY2P2 tetrahedra. Both P–P bond lengths are 2.22 Å. In the third P+0.60- site, P+0.60- is bonded to one Y3+ and three P+0.60- atoms to form distorted PYP3 tetrahedra that share corners with nine PY2P2 tetrahedra and an edgeedge with one PYP3 tetrahedra. The P–P bond length is 2.20 Å.