DOI: 10.17188/1318423
title: Materials Data on Mn2ZnO4 by Materials Project

description: ZnMn2O4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form distorted edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.89–2.52 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form distorted edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.47 Å. In the third Mn3+ site, Mn3+ is bonded to six O2- atoms to form distorted edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.88–2.52 Å. In the fourth Mn3+ site, Mn3+ is bonded to six O2- atoms to form distorted edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.90–2.46 Å. In the fifth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.24 Å. In the sixth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.97–2.27 Å. In the seventh Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.98–2.24 Å. In the eighth Mn3+ site, Mn3+ is bonded to six O2- atoms to form edge-sharing MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.97–2.27 Å. There are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.05–2.59 Å. In the second Zn2+ site, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.60 Å. In the third Zn2+ site, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.01–2.45 Å. In the fourth Zn2+ site, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.01–2.46 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded to three Mn3+ and one Zn2+ atom to form distorted OMn3Zn trigonal pyramids that share corners with two OMn3Zn2 trigonal bipyramids, corners with six OMn3Zn trigonal pyramids, edges with two OMn3Zn2 trigonal bipyramids, and an edgeedge with one OMn3Zn trigonal pyramid. In the second O2- site, O2- is bonded to three Mn3+ and one Zn2+ atom to form distorted OMn3Zn trigonal pyramids that share corners with two OMn3Zn2 trigonal bipyramids, corners with six OMn3Zn trigonal pyramids, edges with two OMn3Zn2 trigonal bipyramids, and an edgeedge with one OMn3Zn trigonal pyramid. In the third O2- site, O2- is bonded to three Mn3+ and one Zn2+ atom to form distorted OMn3Zn trigonal pyramids that share corners with two OMn3Zn2 trigonal bipyramids, corners with six OMn3Zn trigonal pyramids, edges with two OMn3Zn2 trigonal bipyramids, and an edgeedge with one OMn3Zn trigonal pyramid. In the fourth O2- site, O2- is bonded to three Mn3+ and one Zn2+ atom to form distorted OMn3Zn trigonal pyramids that share corners with two OMn3Zn2 trigonal bipyramids, corners with six OMn3Zn trigonal pyramids, edges with two OMn3Zn2 trigonal bipyramids, and an edgeedge with one OMn3Zn trigonal pyramid. In the fifth O2- site, O2- is bonded to three Mn3+ and one Zn2+ atom to form distorted OMn3Zn trigonal pyramids that share corners with two OMn3Zn2 trigonal bipyramids, corners with six OMn3Zn trigonal pyramids, edges with two OMn3Zn2 trigonal bipyramids, and an edgeedge with one OMn3Zn trigonal pyramid. In the sixth O2- site, O2- is bonded to three Mn3+ and one Zn2+ atom to form distorted OMn3Zn trigonal pyramids that share corners with two OMn3Zn2 trigonal bipyramids, corners with six OMn3Zn trigonal pyramids, edges with two OMn3Zn2 trigonal bipyramids, and an edgeedge with one OMn3Zn trigonal pyramid. In the seventh O2- site, O2- is bonded to three Mn3+ and one Zn2+ atom to form distorted OMn3Zn trigonal pyramids that share corners with two OMn3Zn2 trigonal bipyramids, corners with six OMn3Zn trigonal pyramids, edges with two OMn3Zn2 trigonal bipyramids, and an edgeedge with one OMn3Zn trigonal pyramid. In the eighth O2- site, O2- is bonded to three Mn3+ and one Zn2+ atom to form distorted OMn3Zn trigonal pyramids that share corners with two OMn3Zn2 trigonal bipyramids, corners with six OMn3Zn trigonal pyramids, edges with two OMn3Zn2 trigonal bipyramids, and an edgeedge with one OMn3Zn trigonal pyramid. In the ninth O2- site, O2- is bonded in a 5-coordinate geometry to three Mn3+ and two Zn2+ atoms. In the tenth O2- site, O2- is bonded in a 5-coordinate geometry to three Mn3+ and two Zn2+ atoms. In the eleventh O2- site, O2- is bonded in a 5-coordinate geometry to three Mn3+ and two Zn2+ atoms. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to three Mn3+ and two Zn2+ atoms. In the thirteenth O2- site, O2- is bonded to three Mn3+ and two Zn2+ atoms to form distorted OMn3Zn2 trigonal bipyramids that share corners with four OMn3Zn2 trigonal bipyramids, corners with four OMn3Zn trigonal pyramids, and edges with four OMn3Zn trigonal pyramids. In the fourteenth O2- site, O2- is bonded to three Mn3+ and two Zn2+ atoms to form distorted OMn3Zn2 trigonal bipyramids that share corners with four OMn3Zn2 trigonal bipyramids, corners with four OMn3Zn trigonal pyramids, and edges with four OMn3Zn trigonal pyramids. In the fifteenth O2- site, O2- is bonded to three Mn3+ and two Zn2+ atoms to form distorted OMn3Zn2 trigonal bipyramids that share corners with four OMn3Zn2 trigonal bipyramids, corners with four OMn3Zn trigonal pyramids, and edges with four OMn3Zn trigonal pyramids. In the sixteenth O2- site, O2- is bonded to three Mn3+ and two Zn2+ atoms to form distorted OMn3Zn2 trigonal bipyramids that share corners with four OMn3Zn2 trigonal bipyramids, corners with four OMn3Zn trigonal pyramids, and edges with four OMn3Zn trigonal pyramids.