10.17188/1318443
None Available
Materials Data on Mn2ZnO4 by Materials Project
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
2020
Specialized Mix
36 MATERIALS SCIENCE
crystal structure
Mn2ZnO4
Mn-O-Zn
The Materials Project
2020
en
ZnMn2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Mn–O bond distances ranging from 1.97–2.11 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedra tilt angles range from 50–62°. There are a spread of Mn–O bond distances ranging from 1.93–2.17 Å. Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.21–2.56 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Mn3+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded to three equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to three Mn3+ and two equivalent Zn2+ atoms.