DOI: 10.17188/1683542
title: Materials Data on Zn2AgP3O19 by Materials Project

description: (AgZn2P3O16)2(O2)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two trioxidane molecules and one AgZn2P3O16 framework. In the AgZn2P3O16 framework, Ag is bonded to five O atoms to form distorted AgO5 square pyramids that share corners with two PO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.28–2.63 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–1.97 Å. In the second Zn site, Zn is bonded in a square co-planar geometry to four O atoms. There are two shorter (1.97 Å) and two longer (2.06 Å) Zn–O bond lengths. In the third Zn site, Zn is bonded in a square co-planar geometry to four O atoms. There are two shorter (1.98 Å) and two longer (2.08 Å) Zn–O bond lengths. There are three inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one AgO5 square pyramid and corners with two PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.60 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one AgO5 square pyramid, a cornercorner with one PO4 tetrahedra, and corners with two equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.64 Å. In the third P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one PO4 tetrahedra and corners with two equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.69 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to one Ag, one Zn, and one P atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Ag and one O atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the sixth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Ag and one O atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to one Ag, one Zn, and one P atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to one Ag and one O atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom. In the thirteenth O site, O is bonded in a distorted bent 120 degrees geometry to one Zn and one P atom. In the fourteenth O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom. In the fifteenth O site, O is bonded in a bent 120 degrees geometry to two P atoms. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to two P atoms.