CaLa2CoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(13), one O(17), one O(21), one O(5), and one O(9) atom to form CaO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. In the second Ca site, Ca(2) is bonded to one O(10), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form CaO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. In the third Ca site, Ca(3) is bonded to one O(11), one O(15), one O(19), one O(23), one O(3), and one O(7) atom to form CaO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. In the fourth Ca site, Ca(4) is bonded to one O(12), one O(16), one O(20), one O(24), one O(4), and one O(8) atom to form CaO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. There are eight inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(11), one O(13), one O(15), one O(17), one O(18), one O(2), one O(21), one O(23), and one O(7) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(13), one O(14), one O(18), one O(20), one O(21), one O(22), one O(4), one O(5), and one O(9) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(15), one O(16), one O(17), one O(19), one O(23), one O(24), and one O(8) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(10), one O(14), one O(16), one O(19), one O(20), one O(22), one O(24), one O(3), and one O(6) atom. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(15), one O(18), one O(2), one O(22), one O(5), one O(6), and one O(9) atom. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one O(10), one O(13), one O(2), one O(20), one O(24), one O(4), one O(6), one O(8), and one O(9) atom. In the seventh La site, La(7) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(16), one O(17), one O(21), one O(3), one O(5), and one O(7) atom. In the eighth La site, La(8) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(14), one O(19), one O(23), one O(3), one O(4), one O(7), and one O(8) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(13), one O(2), one O(20), one O(21), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Ca(4)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with two equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. In the second Co site, Co(2) is bonded to one O(14), one O(19), one O(22), one O(4), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one Ca(3)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, and corners with two equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(15), one O(18), one O(23), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Ca(4)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with two equivalent Ca(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-32°. In the fourth Co site, Co(4) is bonded to one O(10), one O(16), one O(17), one O(24), one O(3), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one Ca(2)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, and corners with two equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), one La(3), one La(5), one La(7), and one Co(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(5), one La(6), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(3), one La(4), one La(7), one La(8), and one Co(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(4), one La(2), one La(6), one La(8), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one La(2), one La(5), one La(7), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(2), one La(4), one La(5), one La(6), and one Co(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(3), one La(1), one La(7), one La(8), and one Co(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(4), one La(3), one La(6), one La(8), and one Co(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(1), one La(2), one La(5), one La(6), and one Co(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(2), one La(4), one La(6), one La(8), and one Co(4) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(3), one La(1), one La(5), one La(7), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(4), one La(3), one La(7), one La(8), and one Co(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one La(6), and one Co(1) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ca(2), one La(2), one La(4), one La(8), and one Co(2) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Ca(3), one La(1), one La(3), one La(5), and one Co(3) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ca(4), one La(3), one La(4), one La(7), and one Co(4) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(3), one La(7), and one Co(4) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one La(5), and one Co(3) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Ca(3), one La(3), one La(4), one La(8), and one Co(2) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Ca(4), one La(2), one La(4), one La(6), and one Co(1) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one La(7), and one Co(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ca(2), one La(2), one La(4), one La(5), and one Co(2) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ca(3), one La(1), one La(3), one La(8), and one Co(3) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Ca(4), one La(3), one La(4), one La(6), and one Co(4) atom.
CaLa2CoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(13), one O(17), one O(21), one O(5), and one O(9) atom to form CaO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. The Ca(1)-O(1) bond length is 2.24 Å. The Ca(1)-O(13) bond length is 2.28 Å. The Ca(1)-O(17) bond length is 2.28 Å. The Ca(1)-O(21) bond length is 2.27 Å. The Ca(1)-O(5) bond length is 2.27 Å. The Ca(1)-O(9) bond length is 2.27 Å. In the second Ca site, Ca(2) is bonded to one O(10), one O(14), one O(18), one O(2), one O(22), and one O(6) atom to form CaO6 octahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. The Ca(2)-O(10) bond length is 2.26 Å. The Ca(2)-O(14) bond length is 2.28 Å. The Ca(2)-O(18) bond length is 2.27 Å. The Ca(2)-O(2) bond length is 2.28 Å. The Ca(2)-O(22) bond length is 2.27 Å. The Ca(2)-O(6) bond length is 2.27 Å. In the third Ca site, Ca(3) is bonded to one O(11), one O(15), one O(19), one O(23), one O(3), and one O(7) atom to form CaO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and corners with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-32°. The Ca(3)-O(11) bond length is 2.28 Å. The Ca(3)-O(15) bond length is 2.24 Å. The Ca(3)-O(19) bond length is 2.28 Å. The Ca(3)-O(23) bond length is 2.27 Å. The Ca(3)-O(3) bond length is 2.27 Å. The Ca(3)-O(7) bond length is 2.27 Å. In the fourth Ca site, Ca(4) is bonded to one O(12), one O(16), one O(20), one O(24), one O(4), and one O(8) atom to form CaO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. The Ca(4)-O(12) bond length is 2.27 Å. The Ca(4)-O(16) bond length is 2.28 Å. The Ca(4)-O(20) bond length is 2.27 Å. The Ca(4)-O(24) bond length is 2.27 Å. The Ca(4)-O(4) bond length is 2.28 Å. The Ca(4)-O(8) bond length is 2.27 Å. There are eight inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(11), one O(13), one O(15), one O(17), one O(18), one O(2), one O(21), one O(23), and one O(7) atom. The La(1)-O(11) bond length is 2.40 Å. The La(1)-O(13) bond length is 3.07 Å. The La(1)-O(15) bond length is 2.65 Å. The La(1)-O(17) bond length is 3.04 Å. The La(1)-O(18) bond length is 2.66 Å. The La(1)-O(2) bond length is 2.41 Å. The La(1)-O(21) bond length is 3.07 Å. The La(1)-O(23) bond length is 2.63 Å. The La(1)-O(7) bond length is 2.40 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(13), one O(14), one O(18), one O(20), one O(21), one O(22), one O(4), one O(5), and one O(9) atom. The La(2)-O(13) bond length is 2.65 Å. The La(2)-O(14) bond length is 3.04 Å. The La(2)-O(18) bond length is 3.06 Å. The La(2)-O(20) bond length is 2.63 Å. The La(2)-O(21) bond length is 2.64 Å. The La(2)-O(22) bond length is 3.10 Å. The La(2)-O(4) bond length is 2.41 Å. The La(2)-O(5) bond length is 2.41 Å. The La(2)-O(9) bond length is 2.40 Å. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(15), one O(16), one O(17), one O(19), one O(23), one O(24), and one O(8) atom. The La(3)-O(1) bond length is 2.35 Å. The La(3)-O(12) bond length is 2.40 Å. The La(3)-O(15) bond length is 3.07 Å. The La(3)-O(16) bond length is 2.64 Å. The La(3)-O(17) bond length is 2.65 Å. The La(3)-O(19) bond length is 3.08 Å. The La(3)-O(23) bond length is 3.13 Å. The La(3)-O(24) bond length is 2.64 Å. The La(3)-O(8) bond length is 2.42 Å. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(10), one O(14), one O(16), one O(19), one O(20), one O(22), one O(24), one O(3), and one O(6) atom. The La(4)-O(10) bond length is 2.41 Å. The La(4)-O(14) bond length is 2.65 Å. The La(4)-O(16) bond length is 3.07 Å. The La(4)-O(19) bond length is 2.64 Å. The La(4)-O(20) bond length is 3.06 Å. The La(4)-O(22) bond length is 2.64 Å. The La(4)-O(24) bond length is 3.09 Å. The La(4)-O(3) bond length is 2.41 Å. The La(4)-O(6) bond length is 2.40 Å. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(15), one O(18), one O(2), one O(22), one O(5), one O(6), and one O(9) atom. The La(5)-O(1) bond length is 3.06 Å. The La(5)-O(11) bond length is 2.65 Å. The La(5)-O(15) bond length is 2.35 Å. The La(5)-O(18) bond length is 2.40 Å. The La(5)-O(2) bond length is 2.64 Å. The La(5)-O(22) bond length is 2.42 Å. The La(5)-O(5) bond length is 3.13 Å. The La(5)-O(6) bond length is 2.63 Å. The La(5)-O(9) bond length is 3.08 Å. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one O(10), one O(13), one O(2), one O(20), one O(24), one O(4), one O(6), one O(8), and one O(9) atom. The La(6)-O(10) bond length is 3.06 Å. The La(6)-O(13) bond length is 2.42 Å. The La(6)-O(2) bond length is 3.06 Å. The La(6)-O(20) bond length is 2.40 Å. The La(6)-O(24) bond length is 2.40 Å. The La(6)-O(4) bond length is 2.64 Å. The La(6)-O(6) bond length is 3.09 Å. The La(6)-O(8) bond length is 2.64 Å. The La(6)-O(9) bond length is 2.64 Å. In the seventh La site, La(7) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(16), one O(17), one O(21), one O(3), one O(5), and one O(7) atom. The La(7)-O(1) bond length is 2.66 Å. The La(7)-O(11) bond length is 3.04 Å. The La(7)-O(12) bond length is 2.66 Å. The La(7)-O(16) bond length is 2.41 Å. The La(7)-O(17) bond length is 2.41 Å. The La(7)-O(21) bond length is 2.39 Å. The La(7)-O(3) bond length is 3.08 Å. The La(7)-O(5) bond length is 2.64 Å. The La(7)-O(7) bond length is 3.07 Å. In the eighth La site, La(8) is bonded in a 9-coordinate geometry to one O(10), one O(12), one O(14), one O(19), one O(23), one O(3), one O(4), one O(7), and one O(8) atom. The La(8)-O(10) bond length is 2.63 Å. The La(8)-O(12) bond length is 3.07 Å. The La(8)-O(14) bond length is 2.41 Å. The La(8)-O(19) bond length is 2.40 Å. The La(8)-O(23) bond length is 2.41 Å. The La(8)-O(3) bond length is 2.64 Å. The La(8)-O(4) bond length is 3.05 Å. The La(8)-O(7) bond length is 2.65 Å. The La(8)-O(8) bond length is 3.10 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(13), one O(2), one O(20), one O(21), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Ca(3)O6 octahedra,  a cornercorner with one Ca(4)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with two equivalent Ca(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. The Co(1)-O(11) bond length is 1.91 Å. The Co(1)-O(13) bond length is 1.90 Å. The Co(1)-O(2) bond length is 1.91 Å. The Co(1)-O(20) bond length is 1.91 Å. The Co(1)-O(21) bond length is 1.91 Å. The Co(1)-O(6) bond length is 1.91 Å. In the second Co site, Co(2) is bonded to one O(14), one O(19), one O(22), one O(4), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one Ca(3)O6 octahedra, corners with two equivalent Ca(2)O6 octahedra, and corners with two equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. The Co(2)-O(14) bond length is 1.92 Å. The Co(2)-O(19) bond length is 1.91 Å. The Co(2)-O(22) bond length is 1.90 Å. The Co(2)-O(4) bond length is 1.92 Å. The Co(2)-O(8) bond length is 1.90 Å. The Co(2)-O(9) bond length is 1.91 Å. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(15), one O(18), one O(23), and one O(5) atom to form CoO6 octahedra that share  a cornercorner with one Ca(2)O6 octahedra,  a cornercorner with one Ca(4)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, and corners with two equivalent Ca(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-32°. The Co(3)-O(1) bond length is 2.01 Å. The Co(3)-O(12) bond length is 1.91 Å. The Co(3)-O(15) bond length is 2.01 Å. The Co(3)-O(18) bond length is 1.91 Å. The Co(3)-O(23) bond length is 1.91 Å. The Co(3)-O(5) bond length is 1.91 Å. In the fourth Co site, Co(4) is bonded to one O(10), one O(16), one O(17), one O(24), one O(3), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one Ca(2)O6 octahedra, corners with two equivalent Ca(3)O6 octahedra, and corners with two equivalent Ca(4)O6 octahedra. The corner-sharing octahedral tilt angles are 30°. The Co(4)-O(10) bond length is 1.92 Å. The Co(4)-O(16) bond length is 1.92 Å. The Co(4)-O(17) bond length is 1.91 Å. The Co(4)-O(24) bond length is 1.91 Å. The Co(4)-O(3) bond length is 1.90 Å. The Co(4)-O(7) bond length is 1.91 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ca(1), one La(3), one La(5), one La(7), and one Co(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(5), one La(6), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(3), one La(4), one La(7), one La(8), and one Co(4) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(4), one La(2), one La(6), one La(8), and one Co(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one La(2), one La(5), one La(7), and one Co(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(2), one La(4), one La(5), one La(6), and one Co(1) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(3), one La(1), one La(7), one La(8), and one Co(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(4), one La(3), one La(6), one La(8), and one Co(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ca(1), one La(2), one La(5), one La(6), and one Co(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(2), one La(4), one La(6), one La(8), and one Co(4) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ca(3), one La(1), one La(5), one La(7), and one Co(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(4), one La(3), one La(7), one La(8), and one Co(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one La(6), and one Co(1) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ca(2), one La(2), one La(4), one La(8), and one Co(2) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Ca(3), one La(1), one La(3), one La(5), and one Co(3) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ca(4), one La(3), one La(4), one La(7), and one Co(4) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(3), one La(7), and one Co(4) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Ca(2), one La(1), one La(2), one La(5), and one Co(3) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Ca(3), one La(3), one La(4), one La(8), and one Co(2) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Ca(4), one La(2), one La(4), one La(6), and one Co(1) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Ca(1), one La(1), one La(2), one La(7), and one Co(1) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ca(2), one La(2), one La(4), one La(5), and one Co(2) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ca(3), one La(1), one La(3), one La(8), and one Co(3) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Ca(4), one La(3), one La(4), one La(6), and one Co(4) atom.