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Materials Data on V7O3 by Materials Project

V7O3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a linear geometry to two equivalent O atoms. Both V–O bond lengths are 2.22 Å. In the second V site, V is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of V–O bond distances ranging from 2.20–2.22 Å. In the third V site, V is bonded in an L-shaped geometry to two O atoms. There are one shorter (2.20 Å) and one longer (2.22 Å) V–O bond lengths. In the fourth V site, V is bonded in a T-shaped geometry to three O atoms. There are one shorter (2.20 Å) and two longer (2.21 Å) V–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to six V atoms to form a mixture of edge and corner-sharing OV6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O site, O is bonded to six V atoms to form a mixture of edge and corner-sharing OV6 octahedra. The corner-sharing octahedral tilt angles are 3°.

36 MATERIALS SCIENCE↗

Materials Data on V7O3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗

Materials Data on V7O3 (SG:12) by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗