Ca5Yb3Ti5Mn3O24 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(14), one O(20), one O(21), one O(23), one O(3), one O(4), one O(8), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(19), one O(22), one O(24), one O(5), one O(6), and one O(7) atom. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(14), one O(16), one O(17), one O(23), one O(3), one O(4), one O(8), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(15), one O(16), one O(19), one O(20), and one O(8) atom. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(15), one O(16), one O(19), one O(20), one O(3), and one O(6) atom. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(15), one O(18), one O(24), one O(5), one O(6), and one O(7) atom. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to one O(12), one O(17), one O(18), one O(2), one O(21), one O(22), one O(7), and one O(9) atom. In the third Yb site, Yb(3) is bonded in a 8-coordinate geometry to one O(12), one O(17), one O(18), one O(2), one O(21), one O(22), one O(4), and one O(5) atom. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(15), one O(19), one O(24), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with four equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-28°. In the second Ti site, Ti(2) is bonded to one O(1), one O(16), one O(20), one O(23), one O(3), and one O(8) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 25-28°. In the third Ti site, Ti(3) is bonded to one O(17), one O(2), one O(21), one O(23), one O(4), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(14), one O(16), one O(20), one O(3), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(11), one O(13), one O(15), one O(19), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(18), one O(2), one O(22), one O(24), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. In the second Mn site, Mn(2) is bonded to one O(12), one O(13), one O(18), one O(22), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-31°. In the third Mn site, Mn(3) is bonded to one O(12), one O(14), one O(17), one O(21), one O(4), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-31°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(5), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Yb(2), one Yb(3), one Ti(3), and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(5), one Ti(2), and one Ti(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Yb(3), one Ti(3), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(2), one Yb(1), one Yb(3), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(5), one Yb(1), one Ti(1), and one Ti(5) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(2), one Yb(1), one Yb(2), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Ti(2), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Yb(2), one Ti(3), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(4), one Yb(1), one Ti(1), and one Ti(5) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(5), one Ti(4), and one Ti(5) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one Yb(2), one Yb(3), one Mn(2), and one Mn(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(2), one Yb(1), one Ti(5), and one Mn(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Ti(4), and one Mn(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Ca(4), one Ca(5), one Yb(1), one Ti(1), and one Ti(5) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(4), one Ca(5), one Ti(2), and one Ti(4) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Ca(3), one Yb(2), one Yb(3), one Ti(3), and one Mn(3) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), one Yb(3), one Mn(1), and one Mn(2) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(4), one Ca(5), one Ti(1), and one Ti(5) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(4), one Ca(5), one Ti(2), and one Ti(4) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Ca(1), one Yb(2), one Yb(3), one Ti(3), and one Mn(3) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Ca(2), one Yb(2), one Yb(3), one Mn(1), and one Mn(2) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Ti(2), and one Ti(3) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Ca(2), one Yb(1), one Ti(1), and one Mn(1) atom.
Ca5Yb3Ti5Mn3O24 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(14), one O(20), one O(21), one O(23), one O(3), one O(4), one O(8), and one O(9) atom. The Ca(1)-O(14) bond length is 2.34 Å. The Ca(1)-O(20) bond length is 2.74 Å. The Ca(1)-O(21) bond length is 2.70 Å. The Ca(1)-O(23) bond length is 2.45 Å. The Ca(1)-O(3) bond length is 2.36 Å. The Ca(1)-O(4) bond length is 2.36 Å. The Ca(1)-O(8) bond length is 2.58 Å. The Ca(1)-O(9) bond length is 2.54 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(19), one O(22), one O(24), one O(5), one O(6), and one O(7) atom. The Ca(2)-O(10) bond length is 2.58 Å. The Ca(2)-O(13) bond length is 2.34 Å. The Ca(2)-O(19) bond length is 2.70 Å. The Ca(2)-O(22) bond length is 2.66 Å. The Ca(2)-O(24) bond length is 2.43 Å. The Ca(2)-O(5) bond length is 2.33 Å. The Ca(2)-O(6) bond length is 2.37 Å. The Ca(2)-O(7) bond length is 2.51 Å. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(14), one O(16), one O(17), one O(23), one O(3), one O(4), one O(8), and one O(9) atom. The Ca(3)-O(14) bond length is 2.43 Å. The Ca(3)-O(16) bond length is 2.72 Å. The Ca(3)-O(17) bond length is 2.67 Å. The Ca(3)-O(23) bond length is 2.33 Å. The Ca(3)-O(3) bond length is 2.60 Å. The Ca(3)-O(4) bond length is 2.54 Å. The Ca(3)-O(8) bond length is 2.39 Å. The Ca(3)-O(9) bond length is 2.38 Å. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(15), one O(16), one O(19), one O(20), and one O(8) atom. The Ca(4)-O(1) bond length is 2.34 Å. The Ca(4)-O(10) bond length is 2.69 Å. The Ca(4)-O(11) bond length is 2.43 Å. The Ca(4)-O(15) bond length is 2.37 Å. The Ca(4)-O(16) bond length is 2.37 Å. The Ca(4)-O(19) bond length is 2.56 Å. The Ca(4)-O(20) bond length is 2.56 Å. The Ca(4)-O(8) bond length is 2.71 Å. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(15), one O(16), one O(19), one O(20), one O(3), and one O(6) atom. The Ca(5)-O(1) bond length is 2.43 Å. The Ca(5)-O(11) bond length is 2.33 Å. The Ca(5)-O(15) bond length is 2.59 Å. The Ca(5)-O(16) bond length is 2.57 Å. The Ca(5)-O(19) bond length is 2.37 Å. The Ca(5)-O(20) bond length is 2.37 Å. The Ca(5)-O(3) bond length is 2.70 Å. The Ca(5)-O(6) bond length is 2.71 Å. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 8-coordinate geometry to one O(10), one O(13), one O(15), one O(18), one O(24), one O(5), one O(6), and one O(7) atom. The Yb(1)-O(10) bond length is 2.37 Å. The Yb(1)-O(13) bond length is 2.39 Å. The Yb(1)-O(15) bond length is 2.68 Å. The Yb(1)-O(18) bond length is 2.63 Å. The Yb(1)-O(24) bond length is 2.32 Å. The Yb(1)-O(5) bond length is 2.47 Å. The Yb(1)-O(6) bond length is 2.55 Å. The Yb(1)-O(7) bond length is 2.32 Å. In the second Yb site, Yb(2) is bonded in a 8-coordinate geometry to one O(12), one O(17), one O(18), one O(2), one O(21), one O(22), one O(7), and one O(9) atom. The Yb(2)-O(12) bond length is 2.37 Å. The Yb(2)-O(17) bond length is 2.38 Å. The Yb(2)-O(18) bond length is 2.33 Å. The Yb(2)-O(2) bond length is 2.34 Å. The Yb(2)-O(21) bond length is 2.49 Å. The Yb(2)-O(22) bond length is 2.46 Å. The Yb(2)-O(7) bond length is 2.61 Å. The Yb(2)-O(9) bond length is 2.62 Å. In the third Yb site, Yb(3) is bonded in a 8-coordinate geometry to one O(12), one O(17), one O(18), one O(2), one O(21), one O(22), one O(4), and one O(5) atom. The Yb(3)-O(12) bond length is 2.30 Å. The Yb(3)-O(17) bond length is 2.49 Å. The Yb(3)-O(18) bond length is 2.48 Å. The Yb(3)-O(2) bond length is 2.40 Å. The Yb(3)-O(21) bond length is 2.35 Å. The Yb(3)-O(22) bond length is 2.33 Å. The Yb(3)-O(4) bond length is 2.64 Å. The Yb(3)-O(5) bond length is 2.64 Å. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(15), one O(19), one O(24), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with four equivalent Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-28°. The Ti(1)-O(1) bond length is 1.98 Å. The Ti(1)-O(10) bond length is 1.95 Å. The Ti(1)-O(15) bond length is 1.97 Å. The Ti(1)-O(19) bond length is 1.97 Å. The Ti(1)-O(24) bond length is 1.97 Å. The Ti(1)-O(6) bond length is 1.95 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(16), one O(20), one O(23), one O(3), and one O(8) atom to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 25-28°. The Ti(2)-O(1) bond length is 1.97 Å. The Ti(2)-O(16) bond length is 1.99 Å. The Ti(2)-O(20) bond length is 1.97 Å. The Ti(2)-O(23) bond length is 1.98 Å. The Ti(2)-O(3) bond length is 1.95 Å. The Ti(2)-O(8) bond length is 1.93 Å. In the third Ti site, Ti(3) is bonded to one O(17), one O(2), one O(21), one O(23), one O(4), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and corners with four equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-26°. The Ti(3)-O(17) bond length is 1.99 Å. The Ti(3)-O(2) bond length is 1.94 Å. The Ti(3)-O(21) bond length is 1.98 Å. The Ti(3)-O(23) bond length is 1.95 Å. The Ti(3)-O(4) bond length is 1.98 Å. The Ti(3)-O(9) bond length is 1.96 Å. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(14), one O(16), one O(20), one O(3), and one O(8) atom to form TiO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-28°. The Ti(4)-O(11) bond length is 1.99 Å. The Ti(4)-O(14) bond length is 1.98 Å. The Ti(4)-O(16) bond length is 1.94 Å. The Ti(4)-O(20) bond length is 1.95 Å. The Ti(4)-O(3) bond length is 1.97 Å. The Ti(4)-O(8) bond length is 1.99 Å. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(11), one O(13), one O(15), one O(19), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-27°. The Ti(5)-O(10) bond length is 1.97 Å. The Ti(5)-O(11) bond length is 1.98 Å. The Ti(5)-O(13) bond length is 1.98 Å. The Ti(5)-O(15) bond length is 1.96 Å. The Ti(5)-O(19) bond length is 1.96 Å. The Ti(5)-O(6) bond length is 1.95 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(18), one O(2), one O(22), one O(24), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-28°. The Mn(1)-O(18) bond length is 1.97 Å. The Mn(1)-O(2) bond length is 1.89 Å. The Mn(1)-O(22) bond length is 1.98 Å. The Mn(1)-O(24) bond length is 1.90 Å. The Mn(1)-O(5) bond length is 1.95 Å. The Mn(1)-O(7) bond length is 1.95 Å. In the second Mn site, Mn(2) is bonded to one O(12), one O(13), one O(18), one O(22), one O(5), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-31°. The Mn(2)-O(12) bond length is 1.91 Å. The Mn(2)-O(13) bond length is 1.91 Å. The Mn(2)-O(18) bond length is 1.94 Å. The Mn(2)-O(22) bond length is 1.94 Å. The Mn(2)-O(5) bond length is 1.97 Å. The Mn(2)-O(7) bond length is 1.99 Å. In the third Mn site, Mn(3) is bonded to one O(12), one O(14), one O(17), one O(21), one O(4), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, and corners with four equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-31°. The Mn(3)-O(12) bond length is 1.92 Å. The Mn(3)-O(14) bond length is 1.94 Å. The Mn(3)-O(17) bond length is 1.92 Å. The Mn(3)-O(21) bond length is 1.92 Å. The Mn(3)-O(4) bond length is 1.94 Å. The Mn(3)-O(9) bond length is 1.96 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(5), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Yb(2), one Yb(3), one Ti(3), and one Mn(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(5), one Ti(2), and one Ti(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Yb(3), one Ti(3), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(2), one Yb(1), one Yb(3), one Mn(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(5), one Yb(1), one Ti(1), and one Ti(5) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(2), one Yb(1), one Yb(2), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Ca(4), one Ti(2), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(3), one Yb(2), one Ti(3), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(4), one Yb(1), one Ti(1), and one Ti(5) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(5), one Ti(4), and one Ti(5) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one Yb(2), one Yb(3), one Mn(2), and one Mn(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(2), one Yb(1), one Ti(5), and one Mn(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Ti(4), and one Mn(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Ca(4), one Ca(5), one Yb(1), one Ti(1), and one Ti(5) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(4), one Ca(5), one Ti(2), and one Ti(4) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Ca(3), one Yb(2), one Yb(3), one Ti(3), and one Mn(3) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(2), one Yb(3), one Mn(1), and one Mn(2) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(4), one Ca(5), one Ti(1), and one Ti(5) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(4), one Ca(5), one Ti(2), and one Ti(4) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Ca(1), one Yb(2), one Yb(3), one Ti(3), and one Mn(3) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Ca(2), one Yb(2), one Yb(3), one Mn(1), and one Mn(2) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(3), one Ti(2), and one Ti(3) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Ca(2), one Yb(1), one Ti(1), and one Mn(1) atom.