Materials Data on V3O10 by Materials Project

Abstract

V3O10 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one V3O10 sheet oriented in the (1, 0, 0) direction. there are six inequivalent V sites. In the first V site, 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 1.61–1.91 Å. In the second V site, 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 1.61–1.91 Å. In the third V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one VO4 tetrahedra and corners with two VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.69–1.80 Å. In the fourth V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one VO4 tetrahedra and corners with two VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.70–1.80 Å. In the fifth V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one VO4 tetrahedra and corners with two VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.69–1.80 Å. In the sixth V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one VO4 tetrahedra and corners with two VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.70–1.80 Å. There are twenty inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one V 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 bent 150 degrees geometry to two V atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two V atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two V atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two V atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to two V atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to two V atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to two V atoms. In the tenth O site, O is bonded in a bent 150 degrees geometry to two V atoms. In the eleventh O site, O is bonded in a single-bond geometry to one V and one O atom. The O–O bond length is 1.97 Å. In the twelfth O site, O is bonded in a single-bond geometry to one V and one O atom. The O–O bond length is 1.95 Å. In the thirteenth O site, O is bonded in a single-bond geometry to one V and one O atom. The O–O bond length is 1.98 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one V and one O atom. The O–O bond length is 1.95 Å. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to two V atoms. In the sixteenth O site, O is bonded in a bent 150 degrees geometry to two V atoms. In the seventeenth O site, O is bonded in a single-bond geometry to one O atom. In the eighteenth O site, O is bonded in a single-bond geometry to one O atom. In the nineteenth O site, O is bonded in a single-bond geometry to one O atom. In the twentieth O site, O is bonded in a single-bond geometry to one O atom.