Mn3TeO6 crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the third Mn site, Mn(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the fifth Mn site, Mn(5) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. In the sixth Mn site, Mn(6) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(7), and one O(8) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the second Te site, Te(2) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(3), one Mn(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the second O site, O(2) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the third O site, O(3) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(4), one Mn(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the fifth O site, O(5) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(4), one Mn(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the seventh O site, O(7) is bonded to one Mn(1), one Mn(3), one Mn(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the eighth O site, O(8) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(5), and one Te(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), one Mn(6), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Mn(2), one Mn(3), one Mn(5), one Mn(6), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(6), and one Te(2) atom.
Mn3TeO6 crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. The Mn(1)-O(1) bond length is 2.32 Å. The Mn(1)-O(12) bond length is 2.10 Å. The Mn(1)-O(4) bond length is 2.32 Å. The Mn(1)-O(6) bond length is 2.22 Å. The Mn(1)-O(7) bond length is 2.22 Å. The Mn(1)-O(9) bond length is 2.10 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Te(2)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. The Mn(2)-O(10) bond length is 2.10 Å. The Mn(2)-O(11) bond length is 2.10 Å. The Mn(2)-O(2) bond length is 2.33 Å. The Mn(2)-O(3) bond length is 2.30 Å. The Mn(2)-O(5) bond length is 2.22 Å. The Mn(2)-O(8) bond length is 2.22 Å. In the third Mn site, Mn(3) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. The Mn(3)-O(1) bond length is 2.21 Å. The Mn(3)-O(11) bond length is 2.72 Å. The Mn(3)-O(12) bond length is 2.18 Å. The Mn(3)-O(2) bond length is 2.18 Å. The Mn(3)-O(7) bond length is 2.50 Å. The Mn(3)-O(8) bond length is 2.17 Å. The Mn(3)-O(9) bond length is 2.66 Å. In the fourth Mn site, Mn(4) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. The Mn(4)-O(10) bond length is 2.75 Å. The Mn(4)-O(12) bond length is 2.64 Å. The Mn(4)-O(3) bond length is 2.18 Å. The Mn(4)-O(4) bond length is 2.22 Å. The Mn(4)-O(5) bond length is 2.16 Å. The Mn(4)-O(6) bond length is 2.48 Å. The Mn(4)-O(9) bond length is 2.17 Å. In the fifth Mn site, Mn(5) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. The Mn(5)-O(10) bond length is 2.17 Å. The Mn(5)-O(11) bond length is 2.67 Å. The Mn(5)-O(3) bond length is 2.21 Å. The Mn(5)-O(4) bond length is 2.18 Å. The Mn(5)-O(5) bond length is 2.51 Å. The Mn(5)-O(6) bond length is 2.16 Å. The Mn(5)-O(9) bond length is 2.74 Å. In the sixth Mn site, Mn(6) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(7), and one O(8) atom. The Mn(6)-O(1) bond length is 2.18 Å. The Mn(6)-O(10) bond length is 2.64 Å. The Mn(6)-O(11) bond length is 2.17 Å. The Mn(6)-O(12) bond length is 2.76 Å. The Mn(6)-O(2) bond length is 2.21 Å. The Mn(6)-O(7) bond length is 2.16 Å. The Mn(6)-O(8) bond length is 2.48 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form TeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. The Te(1)-O(1) bond length is 1.98 Å. The Te(1)-O(10) bond length is 1.95 Å. The Te(1)-O(11) bond length is 1.95 Å. The Te(1)-O(4) bond length is 1.98 Å. The Te(1)-O(5) bond length is 1.97 Å. The Te(1)-O(8) bond length is 1.96 Å. In the second Te site, Te(2) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form TeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. The Te(2)-O(12) bond length is 1.95 Å. The Te(2)-O(2) bond length is 1.98 Å. The Te(2)-O(3) bond length is 1.98 Å. The Te(2)-O(6) bond length is 1.97 Å. The Te(2)-O(7) bond length is 1.96 Å. The Te(2)-O(9) bond length is 1.95 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(3), one Mn(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the second O site, O(2) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the third O site, O(3) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(4), one Mn(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te tetrahedra. In the fifth O site, O(5) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(4), one Mn(5), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the seventh O site, O(7) is bonded to one Mn(1), one Mn(3), one Mn(6), and one Te(2) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the eighth O site, O(8) is bonded to one Mn(2), one Mn(3), one Mn(6), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OMn3Te trigonal pyramids. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(5), and one Te(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Mn(2), one Mn(4), one Mn(5), one Mn(6), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Mn(2), one Mn(3), one Mn(5), one Mn(6), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), one Mn(4), one Mn(6), and one Te(2) atom.