Ba2Ca2Mn3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(6), two equivalent O(8), and four equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing MnO5 square pyramids. In the second Mn site, Mn(2) is bonded to one O(7), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing MnO5 square pyramids. In the third Mn site, Mn(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(10) and two equivalent O(5) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a see-saw-like geometry to one O(4), one O(7), and two equivalent O(9) atoms. In the second Tl site, Tl(2) is bonded in a see-saw-like geometry to one O(2), one O(9), and two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Ca(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(2), one Mn(1), and one Tl(2) atom to form a mixture of distorted edge and corner-sharing OBa4MnTl octahedra. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Ca(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mn(3) atoms to form a mixture of distorted edge, face, and corner-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ca(2), and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded to four equivalent Ba(1), one Mn(2), and one Tl(1) atom to form a mixture of distorted edge and corner-sharing OBa4MnTl octahedra. The corner-sharing octahedral tilt angles are 15°. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ca(2), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mn(3) atoms to form a mixture of distorted edge, face, and corner-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°.
Ba2Ca2Mn3Tl2O10 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(9), two equivalent O(6), two equivalent O(8), and four equivalent O(7) atoms. The Ba(1)-O(9) bond length is 2.63 Å. Both Ba(1)-O(6) bond lengths are 2.93 Å. Both Ba(1)-O(8) bond lengths are 2.97 Å. There are two shorter (2.81 Å) and two longer (2.91 Å) Ba(1)-O(7) bond lengths. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. The Ba(2)-O(4) bond length is 3.03 Å. Both Ba(2)-O(1) bond lengths are 3.08 Å. Both Ba(2)-O(3) bond lengths are 3.04 Å. There are two shorter (2.83 Å) and two longer (2.84 Å) Ba(2)-O(2) bond lengths. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(10), two equivalent O(3), and two equivalent O(5) atoms. Both Ca(1)-O(1) bond lengths are 2.43 Å. Both Ca(1)-O(10) bond lengths are 2.67 Å. There is one shorter (2.42 Å) and one longer (2.44 Å) Ca(1)-O(3) bond length. There is one shorter (2.63 Å) and one longer (2.68 Å) Ca(1)-O(5) bond length. In the second Ca site, Ca(2) is bonded in a body-centered cubic geometry to two equivalent O(10), two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms. There is one shorter (2.63 Å) and one longer (2.64 Å) Ca(2)-O(10) bond length. There is one shorter (2.60 Å) and one longer (2.63 Å) Ca(2)-O(5) bond length. There is one shorter (2.46 Å) and one longer (2.48 Å) Ca(2)-O(6) bond length. There is one shorter (2.46 Å) and one longer (2.47 Å) Ca(2)-O(8) bond length. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing MnO5 square pyramids. The Mn(1)-O(2) bond length is 2.01 Å. Both Mn(1)-O(1) bond lengths are 2.02 Å. Both Mn(1)-O(3) bond lengths are 2.04 Å. In the second Mn site, Mn(2) is bonded to one O(7), two equivalent O(6), and two equivalent O(8) atoms to form corner-sharing MnO5 square pyramids. The Mn(2)-O(7) bond length is 2.22 Å. Both Mn(2)-O(6) bond lengths are 2.04 Å. Both Mn(2)-O(8) bond lengths are 2.02 Å. In the third Mn site, Mn(3) is bonded in a rectangular see-saw-like geometry to two equivalent O(10) and two equivalent O(5) atoms. Both Mn(3)-O(10) bond lengths are 1.99 Å. Both Mn(3)-O(5) bond lengths are 2.01 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a see-saw-like geometry to one O(4), one O(7), and two equivalent O(9) atoms. The Tl(1)-O(4) bond length is 2.14 Å. The Tl(1)-O(7) bond length is 2.25 Å. Both Tl(1)-O(9) bond lengths are 2.30 Å. In the second Tl site, Tl(2) is bonded in a see-saw-like geometry to one O(2), one O(9), and two equivalent O(4) atoms. The Tl(2)-O(2) bond length is 2.65 Å. The Tl(2)-O(9) bond length is 2.52 Å. There is one shorter (2.50 Å) and one longer (2.51 Å) Tl(2)-O(4) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Ca(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to four equivalent Ba(2), one Mn(1), and one Tl(2) atom to form a mixture of distorted edge and corner-sharing OBa4MnTl octahedra. The corner-sharing octahedral tilt angles are 1°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent Ca(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Ba(2), one Tl(1), and two equivalent Tl(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mn(3) atoms to form a mixture of distorted edge, face, and corner-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ca(2), and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded to four equivalent Ba(1), one Mn(2), and one Tl(1) atom to form a mixture of distorted edge and corner-sharing OBa4MnTl octahedra. The corner-sharing octahedral tilt angles are 15°. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ca(2), and two equivalent Mn(2) atoms. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ba(1), one Tl(2), and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mn(3) atoms to form a mixture of distorted edge, face, and corner-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°.