Sr3LaTa2(FeO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(11), one O(13), one O(19), one O(21), one O(24), one O(5), one O(9), and two equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(10), one O(12), one O(14), one O(20), one O(22), one O(23), one O(5), one O(6), and two equivalent O(4) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(15), one O(18), one O(19), one O(21), one O(4), and one O(6) atom. In the fourth Sr site, Sr(4) is bonded in a 4-coordinate geometry to one O(12), one O(14), one O(16), one O(17), one O(20), one O(22), one O(3), and one O(5) atom. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(15), one O(17), one O(20), one O(23), one O(7), and one O(9) atom. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(16), one O(18), one O(19), one O(2), one O(24), and one O(8) atom. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(11), one O(15), one O(17), one O(2), one O(22), one O(23), one O(8), and one O(9) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(16), one O(18), one O(21), one O(24), and one O(7) atom. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(10), one O(13), one O(18), one O(21), and one O(6) atom to form TaO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-24°. In the second Ta site, Ta(2) is bonded to one O(14), one O(17), one O(2), one O(22), one O(5), and one O(9) atom to form TaO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-24°. In the third Ta site, Ta(3) is bonded to one O(11), one O(16), one O(19), one O(24), one O(3), and one O(8) atom to form TaO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-29°. In the fourth Ta site, Ta(4) is bonded to one O(12), one O(15), one O(20), one O(23), one O(4), and one O(7) atom to form TaO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-29°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(14), one O(18), one O(22), one O(4), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Ta(3)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, and corners with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-24°. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(16), one O(20), one O(24), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, and corners with two equivalent Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. In the third Fe site, Fe(3) is bonded to one O(13), one O(17), one O(21), one O(3), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Ta(3)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, and corners with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-24°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(15), one O(19), one O(2), one O(23), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, and corners with two equivalent Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(5), one La(2), one Ta(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(6), one La(1), one Ta(2), and one Fe(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(4), two equivalent Sr(1), one Ta(3), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(3), two equivalent Sr(2), one Ta(4), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Ta(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Ta(1), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(5), one La(2), one Ta(4), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(6), one La(1), one Ta(3), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(5), one La(1), one Ta(2), and one Fe(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(6), one La(2), one Ta(1), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one La(1), one Ta(3), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one La(2), one Ta(4), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(5), one Ta(1), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one Sr(6), one Ta(2), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Sr(3), one Sr(5), one La(1), one Ta(4), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Sr(4), one Sr(6), one La(2), one Ta(3), and one Fe(2) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Sr(4), one Sr(5), one La(1), one Ta(2), and one Fe(3) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Sr(3), one Sr(6), one La(2), one Ta(1), and one Fe(1) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(6), one Ta(3), and one Fe(4) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one Sr(5), one Ta(4), and one Fe(2) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one La(2), one Ta(1), and one Fe(3) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one La(1), one Ta(2), and one Fe(1) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(5), one La(1), one Ta(4), and one Fe(4) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(6), one La(2), one Ta(3), and one Fe(2) atom.
Sr3LaTa2(FeO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(11), one O(13), one O(19), one O(21), one O(24), one O(5), one O(9), and two equivalent O(3) atoms. The Sr(1)-O(11) bond length is 2.87 Å. The Sr(1)-O(13) bond length is 2.60 Å. The Sr(1)-O(19) bond length is 2.51 Å. The Sr(1)-O(21) bond length is 2.77 Å. The Sr(1)-O(24) bond length is 2.83 Å. The Sr(1)-O(5) bond length is 2.52 Å. The Sr(1)-O(9) bond length is 2.91 Å. There is one shorter (2.70 Å) and one longer (3.03 Å) Sr(1)-O(3) bond length. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one O(10), one O(12), one O(14), one O(20), one O(22), one O(23), one O(5), one O(6), and two equivalent O(4) atoms. The Sr(2)-O(10) bond length is 2.91 Å. The Sr(2)-O(12) bond length is 2.86 Å. The Sr(2)-O(14) bond length is 2.60 Å. The Sr(2)-O(20) bond length is 2.51 Å. The Sr(2)-O(22) bond length is 2.77 Å. The Sr(2)-O(23) bond length is 2.83 Å. The Sr(2)-O(5) bond length is 3.19 Å. The Sr(2)-O(6) bond length is 2.52 Å. There is one shorter (2.70 Å) and one longer (3.04 Å) Sr(2)-O(4) bond length. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(15), one O(18), one O(19), one O(21), one O(4), and one O(6) atom. The Sr(3)-O(11) bond length is 2.51 Å. The Sr(3)-O(13) bond length is 2.80 Å. The Sr(3)-O(15) bond length is 2.85 Å. The Sr(3)-O(18) bond length is 2.90 Å. The Sr(3)-O(19) bond length is 2.90 Å. The Sr(3)-O(21) bond length is 2.58 Å. The Sr(3)-O(4) bond length is 2.54 Å. The Sr(3)-O(6) bond length is 2.65 Å. In the fourth Sr site, Sr(4) is bonded in a 4-coordinate geometry to one O(12), one O(14), one O(16), one O(17), one O(20), one O(22), one O(3), and one O(5) atom. The Sr(4)-O(12) bond length is 2.52 Å. The Sr(4)-O(14) bond length is 2.80 Å. The Sr(4)-O(16) bond length is 2.85 Å. The Sr(4)-O(17) bond length is 2.90 Å. The Sr(4)-O(20) bond length is 2.90 Å. The Sr(4)-O(22) bond length is 2.58 Å. The Sr(4)-O(3) bond length is 2.54 Å. The Sr(4)-O(5) bond length is 2.65 Å. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(15), one O(17), one O(20), one O(23), one O(7), and one O(9) atom. The Sr(5)-O(1) bond length is 2.54 Å. The Sr(5)-O(13) bond length is 2.83 Å. The Sr(5)-O(15) bond length is 2.79 Å. The Sr(5)-O(17) bond length is 2.76 Å. The Sr(5)-O(20) bond length is 2.70 Å. The Sr(5)-O(23) bond length is 2.53 Å. The Sr(5)-O(7) bond length is 2.71 Å. The Sr(5)-O(9) bond length is 2.62 Å. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(10), one O(14), one O(16), one O(18), one O(19), one O(2), one O(24), and one O(8) atom. The Sr(6)-O(10) bond length is 2.61 Å. The Sr(6)-O(14) bond length is 2.83 Å. The Sr(6)-O(16) bond length is 2.79 Å. The Sr(6)-O(18) bond length is 2.75 Å. The Sr(6)-O(19) bond length is 2.70 Å. The Sr(6)-O(2) bond length is 2.54 Å. The Sr(6)-O(24) bond length is 2.53 Å. The Sr(6)-O(8) bond length is 2.70 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(11), one O(15), one O(17), one O(2), one O(22), one O(23), one O(8), and one O(9) atom. The La(1)-O(11) bond length is 2.67 Å. The La(1)-O(15) bond length is 2.42 Å. The La(1)-O(17) bond length is 2.59 Å. The La(1)-O(2) bond length is 2.49 Å. The La(1)-O(22) bond length is 2.87 Å. The La(1)-O(23) bond length is 2.69 Å. The La(1)-O(8) bond length is 2.47 Å. The La(1)-O(9) bond length is 2.70 Å. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(12), one O(16), one O(18), one O(21), one O(24), and one O(7) atom. The La(2)-O(1) bond length is 2.49 Å. The La(2)-O(10) bond length is 2.70 Å. The La(2)-O(12) bond length is 2.67 Å. The La(2)-O(16) bond length is 2.43 Å. The La(2)-O(18) bond length is 2.58 Å. The La(2)-O(21) bond length is 2.87 Å. The La(2)-O(24) bond length is 2.68 Å. The La(2)-O(7) bond length is 2.47 Å. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(1), one O(10), one O(13), one O(18), one O(21), and one O(6) atom to form TaO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-24°. The Ta(1)-O(1) bond length is 1.99 Å. The Ta(1)-O(10) bond length is 2.05 Å. The Ta(1)-O(13) bond length is 2.00 Å. The Ta(1)-O(18) bond length is 2.03 Å. The Ta(1)-O(21) bond length is 2.03 Å. The Ta(1)-O(6) bond length is 1.95 Å. In the second Ta site, Ta(2) is bonded to one O(14), one O(17), one O(2), one O(22), one O(5), and one O(9) atom to form TaO6 octahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-24°. The Ta(2)-O(14) bond length is 2.00 Å. The Ta(2)-O(17) bond length is 2.03 Å. The Ta(2)-O(2) bond length is 1.99 Å. The Ta(2)-O(22) bond length is 2.03 Å. The Ta(2)-O(5) bond length is 1.95 Å. The Ta(2)-O(9) bond length is 2.05 Å. In the third Ta site, Ta(3) is bonded to one O(11), one O(16), one O(19), one O(24), one O(3), and one O(8) atom to form TaO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-29°. The Ta(3)-O(11) bond length is 1.97 Å. The Ta(3)-O(16) bond length is 2.02 Å. The Ta(3)-O(19) bond length is 1.97 Å. The Ta(3)-O(24) bond length is 1.99 Å. The Ta(3)-O(3) bond length is 2.00 Å. The Ta(3)-O(8) bond length is 2.09 Å. In the fourth Ta site, Ta(4) is bonded to one O(12), one O(15), one O(20), one O(23), one O(4), and one O(7) atom to form TaO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-29°. The Ta(4)-O(12) bond length is 1.98 Å. The Ta(4)-O(15) bond length is 2.01 Å. The Ta(4)-O(20) bond length is 1.96 Å. The Ta(4)-O(23) bond length is 2.00 Å. The Ta(4)-O(4) bond length is 2.00 Å. The Ta(4)-O(7) bond length is 2.09 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(14), one O(18), one O(22), one O(4), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Ta(3)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, and corners with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-24°. The Fe(1)-O(10) bond length is 2.05 Å. The Fe(1)-O(14) bond length is 2.06 Å. The Fe(1)-O(18) bond length is 2.09 Å. The Fe(1)-O(22) bond length is 2.05 Å. The Fe(1)-O(4) bond length is 2.08 Å. The Fe(1)-O(8) bond length is 2.06 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(12), one O(16), one O(20), one O(24), and one O(5) atom to form FeO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, and corners with two equivalent Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. The Fe(2)-O(1) bond length is 2.14 Å. The Fe(2)-O(12) bond length is 2.13 Å. The Fe(2)-O(16) bond length is 2.13 Å. The Fe(2)-O(20) bond length is 2.13 Å. The Fe(2)-O(24) bond length is 2.14 Å. The Fe(2)-O(5) bond length is 2.14 Å. In the third Fe site, Fe(3) is bonded to one O(13), one O(17), one O(21), one O(3), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Ta(3)O6 octahedra,  a cornercorner with one Ta(4)O6 octahedra, corners with two equivalent Ta(1)O6 octahedra, and corners with two equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-24°. The Fe(3)-O(13) bond length is 2.06 Å. The Fe(3)-O(17) bond length is 2.09 Å. The Fe(3)-O(21) bond length is 2.05 Å. The Fe(3)-O(3) bond length is 2.08 Å. The Fe(3)-O(7) bond length is 2.06 Å. The Fe(3)-O(9) bond length is 2.05 Å. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(15), one O(19), one O(2), one O(23), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra,  a cornercorner with one Ta(2)O6 octahedra, corners with two equivalent Ta(3)O6 octahedra, and corners with two equivalent Ta(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. The Fe(4)-O(11) bond length is 2.14 Å. The Fe(4)-O(15) bond length is 2.13 Å. The Fe(4)-O(19) bond length is 2.12 Å. The Fe(4)-O(2) bond length is 2.14 Å. The Fe(4)-O(23) bond length is 2.14 Å. The Fe(4)-O(6) bond length is 2.15 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(5), one La(2), one Ta(1), and one Fe(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(6), one La(1), one Ta(2), and one Fe(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(4), two equivalent Sr(1), one Ta(3), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(3), two equivalent Sr(2), one Ta(4), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one Sr(4), one Ta(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Ta(1), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(5), one La(2), one Ta(4), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(6), one La(1), one Ta(3), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(5), one La(1), one Ta(2), and one Fe(3) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(6), one La(2), one Ta(1), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one La(1), one Ta(3), and one Fe(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one La(2), one Ta(4), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(5), one Ta(1), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one Sr(6), one Ta(2), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one Sr(3), one Sr(5), one La(1), one Ta(4), and one Fe(4) atom. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Sr(4), one Sr(6), one La(2), one Ta(3), and one Fe(2) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Sr(4), one Sr(5), one La(1), one Ta(2), and one Fe(3) atom. In the eighteenth O site, O(18) is bonded in a 5-coordinate geometry to one Sr(3), one Sr(6), one La(2), one Ta(1), and one Fe(1) atom. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one Sr(6), one Ta(3), and one Fe(4) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one Sr(5), one Ta(4), and one Fe(2) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one La(2), one Ta(1), and one Fe(3) atom. In the twenty-second O site, O(22) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one La(1), one Ta(2), and one Fe(1) atom. In the twenty-third O site, O(23) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(5), one La(1), one Ta(4), and one Fe(4) atom. In the twenty-fourth O site, O(24) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(6), one La(2), one Ta(3), and one Fe(2) atom.