Ca2La5Mn7NiO24 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(7), 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(13), one O(14), one O(15), one O(16), one O(17), one O(19), one O(20), and one O(21) atom. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(2), one O(22), one O(23), one O(24), one O(3), one O(4), one O(5), and one O(6) atom. In the second La site, La(2) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(2), one O(3), one O(4), one O(5), one O(8), one O(9), and two equivalent O(7) atoms. In the third La site, La(3) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(14), one O(15), one O(16), one O(17), one O(18), one O(6), one O(8), one O(9), and two equivalent O(12) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(12), one O(16), one O(17), one O(18), one O(20), one O(21), one O(22), one O(23), and one O(24) atom. In the fifth La site, La(5) is bonded in a 12-coordinate geometry to one O(19), one O(2), one O(20), one O(21), one O(22), one O(23), one O(3), one O(4), one O(5), one O(7), and two equivalent O(1) atoms. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 10-22°. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(13), one O(14), one O(16), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. In the third Mn site, Mn(3) is bonded to one O(14), one O(16), one O(18), one O(19), one O(21), and one O(22) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-28°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-22°. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(13), one O(15), one O(17), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 20-24°. In the sixth Mn site, Mn(6) is bonded to one O(15), one O(17), one O(18), one O(19), one O(20), and one O(23) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-28°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-23°. Ni(1) is bonded to one O(1), one O(2), one O(20), one O(23), one O(24), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and corners with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-23°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(5), one Mn(7), and one Ni(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(5), one Mn(4), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(5), one Mn(1), and one Mn(7) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one La(1), one La(2), one La(5), one Mn(1), and one Mn(7) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(1), one La(2), one La(5), one Mn(4), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(1), one La(3), one Mn(1), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(1), one La(5), two equivalent La(2), one Mn(1), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one La(2), one La(3), one Mn(4), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), one La(2), one La(3), one Mn(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(1), one La(2), one La(3), one Mn(1), and one Mn(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(1), one La(2), one La(3), one Mn(4), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one La(4), two equivalent La(3), one Mn(2), and one Mn(5) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one La(2), one Mn(2), and one Mn(5) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(3), one Mn(2), and one Mn(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(3), one Mn(5), and one Mn(6) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ca(2), one La(3), one La(4), one Mn(2), and one Mn(3) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Ca(2), one La(3), one La(4), one Mn(5), and one Mn(6) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one La(3), one La(4), one Mn(3), and one Mn(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ca(2), one La(5), one Mn(3), and one Mn(6) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Ca(2), one La(4), one La(5), one Mn(6), and one Ni(1) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Ca(2), one La(4), one La(5), one Mn(3), and one Mn(7) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(5), one Mn(3), and one Mn(7) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(5), one Mn(6), and one Ni(1) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one La(1), one La(4), one Mn(7), and one Ni(1) atom.
Ca2La5Mn7NiO24 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(7), one O(8), and one O(9) atom. The Ca(1)-O(10) bond length is 2.58 Å. The Ca(1)-O(11) bond length is 2.57 Å. The Ca(1)-O(13) bond length is 2.39 Å. The Ca(1)-O(14) bond length is 2.46 Å. The Ca(1)-O(15) bond length is 2.44 Å. The Ca(1)-O(7) bond length is 2.56 Å. The Ca(1)-O(8) bond length is 2.50 Å. The Ca(1)-O(9) bond length is 2.51 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(17), one O(19), one O(20), and one O(21) atom. The Ca(2)-O(13) bond length is 2.48 Å. The Ca(2)-O(14) bond length is 2.55 Å. The Ca(2)-O(15) bond length is 2.55 Å. The Ca(2)-O(16) bond length is 2.72 Å. The Ca(2)-O(17) bond length is 2.71 Å. The Ca(2)-O(19) bond length is 2.39 Å. The Ca(2)-O(20) bond length is 2.45 Å. The Ca(2)-O(21) bond length is 2.46 Å. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(2), one O(22), one O(23), one O(24), one O(3), one O(4), one O(5), and one O(6) atom. The La(1)-O(2) bond length is 2.66 Å. The La(1)-O(22) bond length is 2.53 Å. The La(1)-O(23) bond length is 2.50 Å. The La(1)-O(24) bond length is 2.45 Å. The La(1)-O(3) bond length is 2.70 Å. The La(1)-O(4) bond length is 2.55 Å. The La(1)-O(5) bond length is 2.55 Å. The La(1)-O(6) bond length is 2.59 Å. In the second La site, La(2) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(13), one O(2), one O(3), one O(4), one O(5), one O(8), one O(9), and two equivalent O(7) atoms. The La(2)-O(1) bond length is 2.55 Å. The La(2)-O(10) bond length is 3.13 Å. The La(2)-O(11) bond length is 3.07 Å. The La(2)-O(13) bond length is 2.94 Å. The La(2)-O(2) bond length is 2.63 Å. The La(2)-O(3) bond length is 2.68 Å. The La(2)-O(4) bond length is 2.80 Å. The La(2)-O(5) bond length is 2.70 Å. The La(2)-O(8) bond length is 2.45 Å. The La(2)-O(9) bond length is 2.49 Å. There is one shorter (2.46 Å) and one longer (3.03 Å) La(2)-O(7) bond length. In the third La site, La(3) is bonded in a 12-coordinate geometry to one O(10), one O(11), one O(14), one O(15), one O(16), one O(17), one O(18), one O(6), one O(8), one O(9), and two equivalent O(12) atoms. The La(3)-O(10) bond length is 2.44 Å. The La(3)-O(11) bond length is 2.43 Å. The La(3)-O(14) bond length is 2.81 Å. The La(3)-O(15) bond length is 2.78 Å. The La(3)-O(16) bond length is 2.71 Å. The La(3)-O(17) bond length is 2.69 Å. The La(3)-O(18) bond length is 2.65 Å. The La(3)-O(6) bond length is 2.71 Å. The La(3)-O(8) bond length is 3.04 Å. The La(3)-O(9) bond length is 3.07 Å. There is one shorter (2.43 Å) and one longer (3.05 Å) La(3)-O(12) bond length. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(12), one O(16), one O(17), one O(18), one O(20), one O(21), one O(22), one O(23), and one O(24) atom. The La(4)-O(12) bond length is 2.74 Å. The La(4)-O(16) bond length is 2.46 Å. The La(4)-O(17) bond length is 2.43 Å. The La(4)-O(18) bond length is 2.44 Å. The La(4)-O(20) bond length is 2.74 Å. The La(4)-O(21) bond length is 2.79 Å. The La(4)-O(22) bond length is 2.66 Å. The La(4)-O(23) bond length is 2.64 Å. The La(4)-O(24) bond length is 2.49 Å. In the fifth La site, La(5) is bonded in a 12-coordinate geometry to one O(19), one O(2), one O(20), one O(21), one O(22), one O(23), one O(3), one O(4), one O(5), one O(7), and two equivalent O(1) atoms. The La(5)-O(19) bond length is 2.60 Å. The La(5)-O(2) bond length is 2.46 Å. The La(5)-O(20) bond length is 2.67 Å. The La(5)-O(21) bond length is 2.68 Å. The La(5)-O(22) bond length is 2.76 Å. The La(5)-O(23) bond length is 2.71 Å. The La(5)-O(3) bond length is 2.49 Å. The La(5)-O(4) bond length is 3.00 Å. The La(5)-O(5) bond length is 2.93 Å. The La(5)-O(7) bond length is 2.89 Å. There is one shorter (2.44 Å) and one longer (3.06 Å) La(5)-O(1) bond length. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 10-22°. The Mn(1)-O(10) bond length is 1.94 Å. The Mn(1)-O(3) bond length is 2.01 Å. The Mn(1)-O(4) bond length is 1.94 Å. The Mn(1)-O(6) bond length is 1.92 Å. The Mn(1)-O(7) bond length is 1.98 Å. The Mn(1)-O(9) bond length is 1.99 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(13), one O(14), one O(16), and one O(9) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. The Mn(2)-O(10) bond length is 1.93 Å. The Mn(2)-O(12) bond length is 1.97 Å. The Mn(2)-O(13) bond length is 1.96 Å. The Mn(2)-O(14) bond length is 2.00 Å. The Mn(2)-O(16) bond length is 2.02 Å. The Mn(2)-O(9) bond length is 1.91 Å. In the third Mn site, Mn(3) is bonded to one O(14), one O(16), one O(18), one O(19), one O(21), and one O(22) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-28°. The Mn(3)-O(14) bond length is 1.93 Å. The Mn(3)-O(16) bond length is 1.96 Å. The Mn(3)-O(18) bond length is 1.99 Å. The Mn(3)-O(19) bond length is 1.94 Å. The Mn(3)-O(21) bond length is 1.96 Å. The Mn(3)-O(22) bond length is 1.97 Å. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-22°. The Mn(4)-O(11) bond length is 1.96 Å. The Mn(4)-O(2) bond length is 1.93 Å. The Mn(4)-O(5) bond length is 1.86 Å. The Mn(4)-O(6) bond length is 1.92 Å. The Mn(4)-O(7) bond length is 1.99 Å. The Mn(4)-O(8) bond length is 2.02 Å. In the fifth Mn site, Mn(5) is bonded to one O(11), one O(12), one O(13), one O(15), one O(17), and one O(8) atom to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 20-24°. The Mn(5)-O(11) bond length is 1.92 Å. The Mn(5)-O(12) bond length is 1.96 Å. The Mn(5)-O(13) bond length is 1.95 Å. The Mn(5)-O(15) bond length is 1.98 Å. The Mn(5)-O(17) bond length is 2.00 Å. The Mn(5)-O(8) bond length is 1.90 Å. In the sixth Mn site, Mn(6) is bonded to one O(15), one O(17), one O(18), one O(19), one O(20), and one O(23) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, and corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-28°. The Mn(6)-O(15) bond length is 1.95 Å. The Mn(6)-O(17) bond length is 1.98 Å. The Mn(6)-O(18) bond length is 1.99 Å. The Mn(6)-O(19) bond length is 1.94 Å. The Mn(6)-O(20) bond length is 1.89 Å. The Mn(6)-O(23) bond length is 1.92 Å. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and corners with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-23°. The Mn(7)-O(1) bond length is 1.91 Å. The Mn(7)-O(21) bond length is 2.02 Å. The Mn(7)-O(22) bond length is 2.01 Å. The Mn(7)-O(24) bond length is 1.90 Å. The Mn(7)-O(3) bond length is 1.96 Å. The Mn(7)-O(4) bond length is 1.96 Å. Ni(1) is bonded to one O(1), one O(2), one O(20), one O(23), one O(24), and one O(5) atom to form NiO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and corners with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-23°. The Ni(1)-O(1) bond length is 2.01 Å. The Ni(1)-O(2) bond length is 2.02 Å. The Ni(1)-O(20) bond length is 2.06 Å. The Ni(1)-O(23) bond length is 2.06 Å. The Ni(1)-O(24) bond length is 2.00 Å. The Ni(1)-O(5) bond length is 2.02 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(5), one Mn(7), and one Ni(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(5), one Mn(4), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(5), one Mn(1), and one Mn(7) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one La(1), one La(2), one La(5), one Mn(1), and one Mn(7) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(1), one La(2), one La(5), one Mn(4), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(1), one La(3), one Mn(1), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(1), one La(5), two equivalent La(2), one Mn(1), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(1), one La(2), one La(3), one Mn(4), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(1), one La(2), one La(3), one Mn(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(1), one La(2), one La(3), one Mn(1), and one Mn(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(1), one La(2), one La(3), one Mn(4), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one La(4), two equivalent La(3), one Mn(2), and one Mn(5) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one La(2), one Mn(2), and one Mn(5) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(3), one Mn(2), and one Mn(3) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Ca(1), one Ca(2), one La(3), one Mn(5), and one Mn(6) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ca(2), one La(3), one La(4), one Mn(2), and one Mn(3) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Ca(2), one La(3), one La(4), one Mn(5), and one Mn(6) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one La(3), one La(4), one Mn(3), and one Mn(6) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ca(2), one La(5), one Mn(3), and one Mn(6) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Ca(2), one La(4), one La(5), one Mn(6), and one Ni(1) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Ca(2), one La(4), one La(5), one Mn(3), and one Mn(7) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(5), one Mn(3), and one Mn(7) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one La(1), one La(4), one La(5), one Mn(6), and one Ni(1) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one La(1), one La(4), one Mn(7), and one Ni(1) atom.