Nb2Mn2Zn2O9 is Ilmenite-derived structured and crystallizes in the trigonal P3c1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Nb site, Nb(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nb(1), one Mn(1), one Mn(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Nb(1), one Nb(2), one Zn(1), and one Zn(2) atom to form distorted ONb2Zn2 trigonal pyramids that share corners with four equivalent O(3)Mn2NbZn trigonal pyramids, corners with four equivalent O(2)Nb2Zn2 trigonal pyramids,  an edgeedge with one O(3)Mn2NbZn trigonal pyramid, and edges with two equivalent O(2)Nb2Zn2 trigonal pyramids. In the third O site, O(3) is bonded to one Nb(2), one Mn(1), one Mn(2), and one Zn(2) atom to form distorted OMn2NbZn trigonal pyramids that share corners with four equivalent O(3)Mn2NbZn trigonal pyramids, corners with four equivalent O(2)Nb2Zn2 trigonal pyramids,  an edgeedge with one O(2)Nb2Zn2 trigonal pyramid, and edges with two equivalent O(3)Mn2NbZn trigonal pyramids.
Nb2Mn2Zn2O9 is Ilmenite-derived structured and crystallizes in the trigonal P3c1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. All Nb(1)-O(1) bond lengths are 1.91 Å. All Nb(1)-O(2) bond lengths are 2.17 Å. In the second Nb site, Nb(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. All Nb(2)-O(2) bond lengths are 2.17 Å. All Nb(2)-O(3) bond lengths are 1.91 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. All Mn(1)-O(1) bond lengths are 2.16 Å. All Mn(1)-O(3) bond lengths are 2.30 Å. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Nb(2)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. All Mn(2)-O(1) bond lengths are 2.30 Å. All Mn(2)-O(3) bond lengths are 2.16 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All Zn(1)-O(1) bond lengths are 2.46 Å. All Zn(1)-O(2) bond lengths are 2.00 Å. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to three equivalent O(2) and three equivalent O(3) atoms. All Zn(2)-O(2) bond lengths are 2.03 Å. All Zn(2)-O(3) bond lengths are 2.37 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Nb(1), one Mn(1), one Mn(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Nb(1), one Nb(2), one Zn(1), and one Zn(2) atom to form distorted ONb2Zn2 trigonal pyramids that share corners with four equivalent O(3)Mn2NbZn trigonal pyramids, corners with four equivalent O(2)Nb2Zn2 trigonal pyramids,  an edgeedge with one O(3)Mn2NbZn trigonal pyramid, and edges with two equivalent O(2)Nb2Zn2 trigonal pyramids. In the third O site, O(3) is bonded to one Nb(2), one Mn(1), one Mn(2), and one Zn(2) atom to form distorted OMn2NbZn trigonal pyramids that share corners with four equivalent O(3)Mn2NbZn trigonal pyramids, corners with four equivalent O(2)Nb2Zn2 trigonal pyramids,  an edgeedge with one O(2)Nb2Zn2 trigonal pyramid, and edges with two equivalent O(3)Mn2NbZn trigonal pyramids.