DOI: 10.17188/1678436
title: Materials Data on NaP2PtO9 by Materials Project

description: NaPtP2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 3-coordinate geometry to three O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.50 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.41–2.97 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to five O atoms to form PtO5 square pyramids that share corners with four PO4 tetrahedra. There are a spread of Pt–O bond distances ranging from 1.98–2.01 Å. In the second Pt site, Pt is bonded to five O atoms to form PtO5 square pyramids that share corners with four PO4 tetrahedra. There are a spread of Pt–O bond distances ranging from 1.97–2.01 Å. There are four 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 PtO5 square pyramids. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There is two shorter (1.52 Å) and two longer (1.60 Å) P–O bond length. In the third P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the fourth P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent PtO5 square pyramids. There are a spread of P–O bond distances ranging from 1.50–1.61 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pt and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Pt and one P atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Pt and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Na, one Pt, and one P atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Pt and one P atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Na, one Pt, and one P atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Pt and one P atom. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Pt and one P atom. In the ninth O site, O is bonded in a single-bond geometry to one Pt atom. In the tenth O site, O is bonded in a single-bond geometry to one Pt atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one P atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to one Na and one P atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one Na and one P atom. In the fourteenth O site, O is bonded in a single-bond geometry to one P atom. In the fifteenth O site, O is bonded in a distorted single-bond geometry to one Na and one P atom. In the sixteenth O site, O is bonded in a bent 150 degrees geometry to one Na and one P atom. In the seventeenth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one P atom. In the eighteenth O site, O is bonded in a 1-coordinate geometry to one Na and one P atom.