Materials Data on In2P6O19 by Materials Project
In2P6O19 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. In is bonded to six O atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.15–2.18 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent InO6 octahedra and a cornercorner with one PO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent InO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent P atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one In and one P atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to two equivalent P atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two equivalent P atoms.