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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on VSO8 by Materials Project

VSO8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two VSO8 clusters. V is bonded to six O atoms to form distorted VO6 octahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.69–2.21 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 37–41°. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one V and one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one V and one S atom. In the third O site, O is bonded in a single-bond geometry to one V 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 single-bond geometry to one S atom. In the sixth O site, O is bonded in a single-bond geometry to one V atom. In the seventh O site, O is bonded in a single-bond geometry to one V atom. In the eighth O site, O is bonded in a single-bond geometry to one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VSO8 by Materials Project

VO2SO4O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four oxygen molecules and two VO2SO4 clusters. In each VO2SO4 cluster, V is bonded to four O atoms to form VO4 tetrahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.90 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent VO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.44–1.56 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one V and one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one V and one S atom. In the third O site, O is bonded in a single-bond geometry to one S 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 single-bond geometry to one V atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VSO10 by Materials Project

VSO8O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four oxygen molecules and four VSO8 clusters. In each VSO8 cluster, V is bonded to five O atoms to form distorted VO5 trigonal bipyramids that share a cornercorner with one SO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.95 Å. S is bonded to four O atoms to form SO4 tetrahedra that share a cornercorner with one VO5 trigonal bipyramid. There are a spread of S–O bond distances ranging from 1.47–1.53 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a single-bond geometry to one S atom. In the third O site, O is bonded in a single-bond geometry to one V atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a single-bond geometry to one V atom. In the sixth O site, O is bonded in a single-bond geometry to one V atom. In the seventh O site, O is bonded in a single-bond geometry to one V atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one V and one S atom.

36 MATERIALS SCIENCE↗