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Materials Data on CuBiO2 by Materials Project

CuBiO2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two O2- atoms. Both Cu–O bond lengths are 1.84 Å. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.21–2.72 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Cu1+ and three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to one Cu1+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OCuBi3 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on CuBiO2 by Materials Project

CuBiO2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.83 Å. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.24 Å) and four longer (2.51 Å) Bi–O bond lengths. O2- is bonded to one Cu1+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OCuBi3 tetrahedra.

36 MATERIALS SCIENCE↗