Materials Data on AsPO5 by Materials Project
AsPO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. As5+ is bonded to six O2- atoms to form AsO6 octahedra that share corners with two equivalent AsO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of As–O bond distances ranging from 1.80–1.89 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent AsO6 octahedra. The corner-sharing octahedra tilt angles range from 40–55°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent As5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one As5+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one As5+ and one P5+ atom.