Ba2Mg2Ni3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(6) and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(10) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Mg(1)O4 tetrahedra, corners with four equivalent Ni(1)O4 trigonal pyramids, and corners with four equivalent Ni(3)O4 trigonal pyramids. In the second Mg site, Mg(2) is bonded to two equivalent O(5) and two equivalent O(8) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Mg(2)O4 tetrahedra and corners with four equivalent Ni(3)O4 trigonal pyramids. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted NiO4 trigonal pyramids that share corners with four equivalent Mg(1)O4 tetrahedra and corners with four equivalent Ni(1)O4 trigonal pyramids. In the second Ni site, Ni(2) is bonded in a distorted see-saw-like geometry to two equivalent O(6) and two equivalent O(8) atoms. In the third Ni site, Ni(3) is bonded to two equivalent O(10) and two equivalent O(5) atoms to form distorted NiO4 trigonal pyramids that share corners with four equivalent Mg(1)O4 tetrahedra, corners with four equivalent Mg(2)O4 tetrahedra, and corners with four equivalent Ni(3)O4 trigonal pyramids. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(4), one O(7), and four equivalent O(9) atoms to form a mixture of distorted edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. In the second Tl site, Tl(2) is bonded to one O(2), one O(9), and four equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(2) and two equivalent Ni(1) atoms to form distorted OBa2Ni2 tetrahedra that share corners with four equivalent O(1)Ba2Ni2 tetrahedra and corners with four equivalent O(3)Mg2Ni2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Ba(2) and one Tl(2) atom. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ni(1) atoms to form distorted OMg2Ni2 trigonal pyramids that share corners with four equivalent O(1)Ba2Ni2 tetrahedra, corners with four equivalent O(10)Mg2Ni2 trigonal pyramids, and corners with four equivalent O(3)Mg2Ni2 trigonal pyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(2), one Tl(1), and four equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Mg(2) and two equivalent Ni(3) atoms to form distorted corner-sharing OMg2Ni2 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Ba(1) and two equivalent Ni(2) atoms to form distorted corner-sharing OBa2Ni2 tetrahedra. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to two equivalent Mg(2) and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Tl(2) and four equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Mg(1) and two equivalent Ni(3) atoms to form distorted corner-sharing OMg2Ni2 trigonal pyramids.
Ba2Mg2Ni3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(6) and four equivalent O(7) atoms. There is one shorter (2.54 Å) and one longer (2.55 Å) Ba(1)-O(6) bond length. There are a spread of Ba(1)-O(7) bond distances ranging from 2.82-2.86 Å. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(4), two equivalent O(1), and four equivalent O(2) atoms. The Ba(2)-O(4) bond length is 3.40 Å. There is one shorter (2.55 Å) and one longer (2.57 Å) Ba(2)-O(1) bond length. There are a spread of Ba(2)-O(2) bond distances ranging from 2.79-2.82 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(10) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Mg(1)O4 tetrahedra, corners with four equivalent Ni(1)O4 trigonal pyramids, and corners with four equivalent Ni(3)O4 trigonal pyramids. Both Mg(1)-O(10) bond lengths are 2.06 Å. Both Mg(1)-O(3) bond lengths are 2.01 Å. In the second Mg site, Mg(2) is bonded to two equivalent O(5) and two equivalent O(8) atoms to form distorted MgO4 tetrahedra that share corners with four equivalent Mg(2)O4 tetrahedra and corners with four equivalent Ni(3)O4 trigonal pyramids. Both Mg(2)-O(5) bond lengths are 2.05 Å. Both Mg(2)-O(8) bond lengths are 2.02 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted NiO4 trigonal pyramids that share corners with four equivalent Mg(1)O4 tetrahedra and corners with four equivalent Ni(1)O4 trigonal pyramids. Both Ni(1)-O(1) bond lengths are 2.02 Å. Both Ni(1)-O(3) bond lengths are 1.95 Å. In the second Ni site, Ni(2) is bonded in a distorted see-saw-like geometry to two equivalent O(6) and two equivalent O(8) atoms. There is one shorter (2.02 Å) and one longer (2.03 Å) Ni(2)-O(6) bond length. Both Ni(2)-O(8) bond lengths are 1.96 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(10) and two equivalent O(5) atoms to form distorted NiO4 trigonal pyramids that share corners with four equivalent Mg(1)O4 tetrahedra, corners with four equivalent Mg(2)O4 tetrahedra, and corners with four equivalent Ni(3)O4 trigonal pyramids. Both Ni(3)-O(10) bond lengths are 2.00 Å. There is one shorter (2.04 Å) and one longer (2.05 Å) Ni(3)-O(5) bond length. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(4), one O(7), and four equivalent O(9) atoms to form a mixture of distorted edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. The Tl(1)-O(4) bond length is 2.12 Å. The Tl(1)-O(7) bond length is 2.04 Å. There are a spread of Tl(1)-O(9) bond distances ranging from 2.53-2.73 Å. In the second Tl site, Tl(2) is bonded to one O(2), one O(9), and four equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing TlO6 octahedra. The corner-sharing octahedral tilt angles are 14°. The Tl(2)-O(2) bond length is 2.06 Å. The Tl(2)-O(9) bond length is 2.11 Å. There are a spread of Tl(2)-O(4) bond distances ranging from 2.53-2.73 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(2) and two equivalent Ni(1) atoms to form distorted OBa2Ni2 tetrahedra that share corners with four equivalent O(1)Ba2Ni2 tetrahedra and corners with four equivalent O(3)Mg2Ni2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Ba(2) and one Tl(2) atom. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ni(1) atoms to form distorted OMg2Ni2 trigonal pyramids that share corners with four equivalent O(1)Ba2Ni2 tetrahedra, corners with four equivalent O(10)Mg2Ni2 trigonal pyramids, and corners with four equivalent O(3)Mg2Ni2 trigonal pyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(2), one Tl(1), and four equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Mg(2) and two equivalent Ni(3) atoms to form distorted corner-sharing OMg2Ni2 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Ba(1) and two equivalent Ni(2) atoms to form distorted corner-sharing OBa2Ni2 tetrahedra. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Tl(1) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to two equivalent Mg(2) and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Tl(2) and four equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Mg(1) and two equivalent Ni(3) atoms to form distorted corner-sharing OMg2Ni2 trigonal pyramids.