Ca4Mn3SbO12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(3), one O(5), one O(7), one O(8), and two equivalent O(10) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(11), one O(2), one O(4), one O(6), one O(7), one O(8), and two equivalent O(9) atoms. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(11), one O(3), one O(4), one O(5), one O(7), one O(9), and two equivalent O(1) atoms. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(6), one O(8), and two equivalent O(2) atoms. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-33°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-27°. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-27°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. Sb(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-35°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(3), one Mn(2), and one Mn(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(4), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Mn(5), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Mn(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(3), one Mn(2), and one Sb(1) atom to form distorted OCa2MnSb tetrahedra that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra and  a cornercorner with one O(5)Ca2MnSb tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Mn(3), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Mn(2), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(4), one Mn(3), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(3), two equivalent Ca(2), one Mn(1), and one Sb(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(4), two equivalent Ca(1), one Mn(5), and one Sb(1) atom. In the eleventh O site, O(11) is bonded to one Ca(2), one Ca(3), one Mn(1), and one Mn(4) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra and  a cornercorner with one O(5)Ca2MnSb tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Mn(4), and one Mn(5) atom.
Ca4Mn3SbO12 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(3), one O(5), one O(7), one O(8), and two equivalent O(10) atoms. The Ca(1)-O(1) bond length is 2.53 Å. The Ca(1)-O(12) bond length is 2.34 Å. The Ca(1)-O(3) bond length is 2.84 Å. The Ca(1)-O(5) bond length is 2.41 Å. The Ca(1)-O(7) bond length is 2.59 Å. The Ca(1)-O(8) bond length is 2.33 Å. There is one shorter (2.35 Å) and one longer (2.99 Å) Ca(1)-O(10) bond length. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(11), one O(2), one O(4), one O(6), one O(7), one O(8), and two equivalent O(9) atoms. The Ca(2)-O(11) bond length is 2.32 Å. The Ca(2)-O(2) bond length is 2.57 Å. The Ca(2)-O(4) bond length is 2.61 Å. The Ca(2)-O(6) bond length is 2.46 Å. The Ca(2)-O(7) bond length is 2.32 Å. The Ca(2)-O(8) bond length is 2.61 Å. There is one shorter (2.39 Å) and one longer (2.77 Å) Ca(2)-O(9) bond length. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(11), one O(3), one O(4), one O(5), one O(7), one O(9), and two equivalent O(1) atoms. The Ca(3)-O(11) bond length is 2.39 Å. The Ca(3)-O(3) bond length is 2.42 Å. The Ca(3)-O(4) bond length is 2.93 Å. The Ca(3)-O(5) bond length is 2.33 Å. The Ca(3)-O(7) bond length is 2.51 Å. The Ca(3)-O(9) bond length is 2.72 Å. There is one shorter (2.36 Å) and one longer (2.62 Å) Ca(3)-O(1) bond length. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(3), one O(4), one O(6), one O(8), and two equivalent O(2) atoms. The Ca(4)-O(10) bond length is 2.60 Å. The Ca(4)-O(12) bond length is 2.39 Å. The Ca(4)-O(3) bond length is 2.71 Å. The Ca(4)-O(4) bond length is 2.40 Å. The Ca(4)-O(6) bond length is 2.33 Å. The Ca(4)-O(8) bond length is 2.50 Å. There is one shorter (2.34 Å) and one longer (2.62 Å) Ca(4)-O(2) bond length. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-33°. Both Mn(1)-O(11) bond lengths are 1.95 Å. Both Mn(1)-O(4) bond lengths are 1.96 Å. Both Mn(1)-O(9) bond lengths are 1.96 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-27°. Both Mn(2)-O(1) bond lengths are 1.96 Å. Both Mn(2)-O(5) bond lengths are 2.14 Å. Both Mn(2)-O(7) bond lengths are 1.98 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-27°. Both Mn(3)-O(2) bond lengths are 1.95 Å. Both Mn(3)-O(6) bond lengths are 1.97 Å. Both Mn(3)-O(8) bond lengths are 1.94 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 23-28°. The Mn(4)-O(1) bond length is 1.95 Å. The Mn(4)-O(11) bond length is 2.07 Å. The Mn(4)-O(12) bond length is 1.90 Å. The Mn(4)-O(2) bond length is 1.97 Å. The Mn(4)-O(7) bond length is 1.92 Å. The Mn(4)-O(8) bond length is 2.00 Å. In the fifth Mn site, Mn(5) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. Both Mn(5)-O(10) bond lengths are 1.98 Å. Both Mn(5)-O(12) bond lengths are 2.16 Å. Both Mn(5)-O(3) bond lengths are 1.95 Å. Sb(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and corners with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-35°. The Sb(1)-O(10) bond length is 2.00 Å. The Sb(1)-O(3) bond length is 2.01 Å. The Sb(1)-O(4) bond length is 2.02 Å. The Sb(1)-O(5) bond length is 1.95 Å. The Sb(1)-O(6) bond length is 2.03 Å. The Sb(1)-O(9) bond length is 2.02 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ca(3), one Mn(2), and one Mn(4) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(2), two equivalent Ca(4), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Mn(5), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(4), one Mn(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(3), one Mn(2), and one Sb(1) atom to form distorted OCa2MnSb tetrahedra that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra and  a cornercorner with one O(5)Ca2MnSb tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(4), one Mn(3), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(3), one Mn(2), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one Ca(4), one Mn(3), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(3), two equivalent Ca(2), one Mn(1), and one Sb(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(4), two equivalent Ca(1), one Mn(5), and one Sb(1) atom. In the eleventh O site, O(11) is bonded to one Ca(2), one Ca(3), one Mn(1), and one Mn(4) atom to form distorted OCa2Mn2 tetrahedra that share  a cornercorner with one O(11)Ca2Mn2 tetrahedra and  a cornercorner with one O(5)Ca2MnSb tetrahedra. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Mn(4), and one Mn(5) atom.