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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on VPO7 by Materials Project

VPO7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one VPO7 sheet oriented in the (1, 0, 0) direction. V is bonded in a 4-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.63–2.75 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.47–1.59 Å. There are seven 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 1.23 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the third O site, O is bonded in a bent 120 degrees geometry to one V and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one V and one O atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one V atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VPO7 by Materials Project

(VPO6)2O2 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two water molecules and one VPO6 sheet oriented in the (0, 0, 1) direction. In the VPO6 sheet, V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.60–2.34 Å. P is bonded in a tetrahedral geometry to four equivalent O atoms. All P–O bond lengths are 1.55 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one V and one P atom. In the second O site, O is bonded in a single-bond geometry to one V atom. In the third O site, O is bonded in a single-bond geometry to one V atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VPO7 by Materials Project

VOPO4O2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four hydrogen peroxide molecules and two VOPO4 ribbons oriented in the (0, 1, 0) direction. In each VOPO4 ribbon, V is bonded to five O atoms to form distorted corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.60–2.05 Å. P is bonded in a trigonal planar geometry to three O atoms. There are a spread of P–O bond distances ranging from 1.47–1.52 Å. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one V and one P atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one V and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one V atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to two equivalent V atoms.

36 MATERIALS SCIENCE↗