Materials Data on Mn2Bi3O7 by Materials Project

Mn2Bi3O7 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mn+2.50+ is bonded to six O2- atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 16–20°. There are a spread of Mn–O bond distances ranging from 2.02–2.35 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.25 Å) and one longer (2.27 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.77 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Mn+2.50+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded to one Mn+2.50+ and three equivalent Bi3+ atoms to form distorted corner-sharing OMnBi3 trigonal pyramids. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Mn+2.50+ and two equivalent Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Mn+2.50+ and three Bi3+ atoms.