10.17188/1301904
None Available
Materials Data on V2CrO7 by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
V2CrO7
Cr-O-V
The Materials Project
2020
en
V2CrO7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent CrO6 octahedra and a cornercorner with one VO4 tetrahedra. The corner-sharing octahedral tilt angles are 17°. There is three shorter (1.72 Å) and one longer (1.78 Å) V–O bond length. Cr4+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Cr–O bond lengths are 1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to one V5+ and one Cr4+ atom.