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Materials Data on VAs by Materials Project

AsV is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V3+ is bonded to six equivalent As3- atoms to form a mixture of distorted face, edge, and corner-sharing VAs6 pentagonal pyramids. There are a spread of V–As bond distances ranging from 2.44–2.69 Å. As3- is bonded in a 6-coordinate geometry to six equivalent V3+ atoms.

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Materials Data on V4As3 by Materials Project

V4As3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent V+2.25+ sites. In the first V+2.25+ site, V+2.25+ is bonded to five As3- atoms to form VAs5 square pyramids that share corners with six equivalent VAs6 octahedra, corners with six equivalent VAs5 trigonal bipyramids, edges with two equivalent VAs6 octahedra, edges with two equivalent VAs5 square pyramids, edges with two equivalent VAs5 trigonal bipyramids, and a faceface with one VAs6 octahedra. The corner-sharing octahedra tilt angles range from 42–51°. There are a spread of V–As bond distances ranging from 2.47–2.51 Å. In the second V+2.25+ site, V+2.25+ is bonded to six As3- atoms to form VAs6 octahedra that share corners with four equivalent VAs6 octahedra, corners with six equivalent VAs5 square pyramids, corners with two equivalent VAs5 trigonal bipyramids, edges with four equivalent VAs6 octahedra, edges with three equivalent VAs5 trigonal bipyramids, a faceface with one VAs6 octahedra, and a faceface with one VAs5 square pyramid. The corner-sharing octahedra tilt angles range from 50–52°. There are a spread of V–As bond distances ranging from 2.39–2.68 Å. In the third V+2.25+ site, V+2.25+ is bonded to five As3- atoms to form distorted VAs5 trigonal bipyramids that share corners with four VAs6 octahedra, corners with six equivalent VAs5 square pyramids, edges with three equivalent VAs6 octahedra, edges with two equivalent VAs5 square pyramids, and edges with four equivalent VAs5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 32–45°. There are a spread of V–As bond distances ranging from 2.50–2.59 Å. In the fourth V+2.25+ site, V+2.25+ is bonded to six As3- atoms to form VAs6 octahedra that share corners with eight equivalent VAs6 octahedra, corners with four equivalent VAs5 trigonal bipyramids, edges with two equivalent VAs6 octahedra, edges with four equivalent VAs5 square pyramids, and faces with two equivalent VAs6 octahedra. The corner-sharing octahedra tilt angles range from 50–52°. There are two shorter (2.45 Å) and four longer (2.62 Å) V–As bond lengths. In the fifth V+2.25+ site, V+2.25+ is bonded in a square co-planar geometry to four As3- atoms. There are two shorter (2.50 Å) and two longer (2.57 Å) V–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to eight V+2.25+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six V+2.25+ atoms. In the third As3- site, As3- is bonded in a 7-coordinate geometry to seven V+2.25+ atoms.

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Materials Data on V3As by Materials Project

V3As crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V and four equivalent As atoms. Both V–V bond lengths are 2.37 Å. All V–As bond lengths are 2.65 Å. As is bonded to twelve equivalent V atoms to form a mixture of face and edge-sharing AsV12 cuboctahedra.

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Materials Data on V5As3 by Materials Project

V5As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.49–2.66 Å. In the second V site, V is bonded in a 6-coordinate geometry to six As atoms. There are a spread of V–As bond distances ranging from 2.55–2.68 Å. In the third V site, V is bonded to five As atoms to form distorted edge-sharing VAs5 square pyramids. There are a spread of V–As bond distances ranging from 2.52–2.54 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.49–2.76 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to eight V atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine V atoms.

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Materials Data on V3As2 by Materials Project

V3As2 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are five inequivalent V2+ sites. In the first V2+ site, V2+ is bonded to five As3- atoms to form distorted VAs5 square pyramids that share corners with four equivalent VAs6 octahedra, corners with eight VAs5 square pyramids, an edgeedge with one VAs6 octahedra, edges with six VAs5 square pyramids, and a faceface with one VAs6 octahedra. The corner-sharing octahedra tilt angles range from 24–51°. There are a spread of V–As bond distances ranging from 2.44–2.55 Å. In the second V2+ site, V2+ is bonded to five As3- atoms to form VAs5 square pyramids that share corners with two equivalent VAs6 octahedra, corners with eight VAs5 square pyramids, edges with two equivalent VAs6 octahedra, and edges with six VAs5 square pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of V–As bond distances ranging from 2.48–2.55 Å. In the third V2+ site, V2+ is bonded to six As3- atoms to form VAs6 octahedra that share corners with twelve VAs5 square pyramids, edges with two equivalent VAs6 octahedra, edges with six VAs5 square pyramids, and faces with two equivalent VAs5 square pyramids. There are two shorter (2.47 Å) and four longer (2.64 Å) V–As bond lengths. In the fourth V2+ site, V2+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All V–As bond lengths are 2.55 Å. In the fifth V2+ site, V2+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All V–As bond lengths are 2.72 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 7-coordinate geometry to seven V2+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to eight V2+ atoms.

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Materials Data on V4As3 by Materials Project

V4As3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are five inequivalent V+2.25+ sites. In the first V+2.25+ site, V+2.25+ is bonded in a square co-planar geometry to four As3- atoms. There are two shorter (2.51 Å) and two longer (2.58 Å) V–As bond lengths. In the second V+2.25+ site, V+2.25+ is bonded to six As3- atoms to form VAs6 octahedra that share corners with eight equivalent VAs6 octahedra, corners with four equivalent VAs5 trigonal bipyramids, edges with two equivalent VAs6 octahedra, edges with four equivalent VAs5 square pyramids, and faces with two equivalent VAs6 octahedra. The corner-sharing octahedra tilt angles range from 42–53°. There are a spread of V–As bond distances ranging from 2.45–2.56 Å. In the third V+2.25+ site, V+2.25+ is bonded to six As3- atoms to form VAs6 octahedra that share corners with six VAs6 octahedra, corners with five equivalent VAs5 square pyramids, corners with two equivalent VAs5 trigonal bipyramids, edges with two equivalent VAs6 octahedra, edges with three equivalent VAs5 trigonal bipyramids, faces with two VAs6 octahedra, and a faceface with one VAs5 square pyramid. The corner-sharing octahedra tilt angles range from 42–53°. There are a spread of V–As bond distances ranging from 2.45–2.60 Å. In the fourth V+2.25+ site, V+2.25+ is bonded to five As3- atoms to form VAs5 square pyramids that share corners with five equivalent VAs6 octahedra, a cornercorner with one VAs5 square pyramid, corners with six equivalent VAs5 trigonal bipyramids, edges with two equivalent VAs6 octahedra, edges with two equivalent VAs5 square pyramids, edges with two equivalent VAs5 trigonal bipyramids, and a faceface with one VAs6 octahedra. The corner-sharing octahedra tilt angles range from 38–57°. There are three shorter (2.49 Å) and two longer (2.52 Å) V–As bond lengths. In the fifth V+2.25+ site, V+2.25+ is bonded to five As3- atoms to form VAs5 trigonal bipyramids that share corners with four VAs6 octahedra, corners with six equivalent VAs5 square pyramids, edges with three equivalent VAs6 octahedra, edges with two equivalent VAs5 square pyramids, and edges with four equivalent VAs5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 25–45°. There are a spread of V–As bond distances ranging from 2.51–2.56 Å. There are four inequivalent As3- sites. In the first As3- site, As3- is bonded to six V+2.25+ atoms to form a mixture of distorted edge and corner-sharing AsV6 pentagonal pyramids. In the second As3- site, As3- is bonded to six V+2.25+ atoms to form a mixture of distorted edge, corner, and face-sharing AsV6 pentagonal pyramids. In the third As3- site, As3- is bonded in a 7-coordinate geometry to seven V+2.25+ atoms. In the fourth As3- site, As3- is bonded in a 8-coordinate geometry to eight V+2.25+ atoms.

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Materials Data on V5As3 by Materials Project

V5As3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six As atoms. There are a spread of V–As bond distances ranging from 2.51–2.80 Å. In the second V site, V is bonded in a 4-coordinate geometry to four equivalent As atoms. All V–As bond lengths are 2.52 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 10-coordinate geometry to ten V atoms. In the second As site, As is bonded in a 10-coordinate geometry to eight equivalent V and two equivalent As atoms. Both As–As bond lengths are 2.47 Å.

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Materials Data on VAs2 by Materials Project

As2V crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V5+ is bonded in a 8-coordinate geometry to eight As+2.50- atoms. There are a spread of V–As bond distances ranging from 2.55–2.67 Å. There are two inequivalent As+2.50- sites. In the first As+2.50- site, As+2.50- is bonded in a 5-coordinate geometry to five equivalent V5+ atoms. In the second As+2.50- site, As+2.50- is bonded in a 4-coordinate geometry to three equivalent V5+ and three equivalent As+2.50- atoms. There are one shorter (2.48 Å) and two longer (2.72 Å) As–As bond lengths.

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