Sr5La3Mn8(O2F)8 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(14), one O(16), one O(3), one O(6), two equivalent O(8), one F(1), one F(4), and one F(5) atom. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(15), one O(4), one O(5), one O(7), two equivalent O(9), and one F(2) atom. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), one O(6), one F(1), one F(6), and one F(7) atom. In the fourth Sr site, Sr(4) is bonded in a 3-coordinate geometry to one O(10), one O(3), one O(7), one F(2), one F(3), and one F(8) atom. In the fifth Sr site, Sr(5) is bonded in a 3-coordinate geometry to one O(3), one O(8), two equivalent O(16), one F(1), one F(4), and one F(5) atom. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(15), one O(4), one O(9), one F(2), and one F(6) atom. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), one O(6), one F(6), and one F(7) atom. In the third La site, La(3) is bonded in a 10-coordinate geometry to one O(13), one O(14), one O(2), one O(3), one O(7), two equivalent O(10), one F(3), one F(4), and one F(8) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(16), one O(2), one O(3), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(7)O3F3 octahedra,  a cornercorner with one Mn(8)O4F2 octahedra, and corners with four equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-30°. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(15), one O(4), one O(5), and one F(6) atom to form MnO5F octahedra that share  a cornercorner with one Mn(7)O3F3 octahedra,  a cornercorner with one Mn(8)O4F2 octahedra, and corners with four equivalent Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 12-32°. In the third Mn site, Mn(3) is bonded to one O(11), one O(6), one O(8), one F(1), one F(5), and one F(7) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(5)O4F2 octahedra,  a cornercorner with one Mn(6)O5F octahedra, and corners with four equivalent Mn(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 18-30°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(13), one O(7), one O(9), one F(2), and one F(8) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(5)O4F2 octahedra,  a cornercorner with one Mn(6)O5F octahedra, and corners with four equivalent Mn(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 18-35°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(14), one O(3), one O(8), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra, and corners with four equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(12), one O(4), one O(5), one O(9), and one F(6) atom to form MnO5F octahedra that share  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra, and corners with four equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 12-35°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(16), one O(6), one F(1), one F(5), and one F(7) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O5F octahedra, and corners with four equivalent Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 18-32°. In the eighth Mn site, Mn(8) is bonded to one O(13), one O(15), one O(2), one O(7), one F(2), and one F(8) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O5F octahedra, and corners with four equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 18-32°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), one La(2), one Mn(2), and one Mn(7) atom to form distorted corner-sharing OSrLaMn2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(3), one Mn(1), and one Mn(8) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(4), one Sr(5), one La(3), one Mn(1), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one La(1), one La(2), one Mn(2), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one La(2), one Mn(2), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one La(2), one Mn(3), and one Mn(7) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one La(3), one Mn(4), and one Mn(8) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(5), two equivalent Sr(1), one Mn(3), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Sr(2), one La(1), one Mn(4), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sr(4), two equivalent La(3), one Mn(4), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(3), one La(2), one Mn(3), and one Mn(6) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one La(1), one La(2), one Mn(2), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Sr(2), one La(1), one La(3), one Mn(4), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Sr(1), one La(3), one Mn(1), and one Mn(5) atom. In the fifteenth O site, O(15) is bonded to one Sr(2), one La(1), one Mn(2), and one Mn(8) atom to form distorted corner-sharing OSrLaMn2 tetrahedra. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(5), one Mn(1), and one Mn(7) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Sr(5), one Mn(3), and one Mn(7) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one La(1), one Mn(4), and one Mn(8) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Sr(4), one La(3), one Mn(1), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one La(3), one Mn(1), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one Mn(3), and one Mn(7) atom. In the sixth F site, F(6) is bonded in a 5-coordinate geometry to one Sr(3), one La(1), one La(2), one Mn(2), and one Mn(6) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Sr(3), one La(2), one Mn(3), and one Mn(7) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Sr(4), one La(3), one Mn(4), and one Mn(8) atom.
Sr5La3Mn8(O2F)8 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(14), one O(16), one O(3), one O(6), two equivalent O(8), one F(1), one F(4), and one F(5) atom. The Sr(1)-O(14) bond length is 2.89 Å. The Sr(1)-O(16) bond length is 2.48 Å. The Sr(1)-O(3) bond length is 2.56 Å. The Sr(1)-O(6) bond length is 2.93 Å. There is one shorter (2.82 Å) and one longer (3.02 Å) Sr(1)-O(8) bond length. The Sr(1)-F(1) bond length is 2.73 Å. The Sr(1)-F(4) bond length is 2.67 Å. The Sr(1)-F(5) bond length is 2.69 Å. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(15), one O(4), one O(5), one O(7), two equivalent O(9), and one F(2) atom. The Sr(2)-O(12) bond length is 2.64 Å. The Sr(2)-O(13) bond length is 2.65 Å. The Sr(2)-O(15) bond length is 2.49 Å. The Sr(2)-O(4) bond length is 2.69 Å. The Sr(2)-O(5) bond length is 2.91 Å. The Sr(2)-O(7) bond length is 2.85 Å. There is one shorter (2.88 Å) and one longer (3.01 Å) Sr(2)-O(9) bond length. The Sr(2)-F(2) bond length is 2.69 Å. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), one O(6), one F(1), one F(6), and one F(7) atom. The Sr(3)-O(1) bond length is 2.59 Å. The Sr(3)-O(11) bond length is 2.49 Å. The Sr(3)-O(12) bond length is 3.11 Å. The Sr(3)-O(4) bond length is 2.86 Å. The Sr(3)-O(5) bond length is 2.65 Å. The Sr(3)-O(6) bond length is 2.80 Å. The Sr(3)-F(1) bond length is 3.02 Å. The Sr(3)-F(6) bond length is 2.52 Å. The Sr(3)-F(7) bond length is 2.58 Å. In the fourth Sr site, Sr(4) is bonded in a 3-coordinate geometry to one O(10), one O(3), one O(7), one F(2), one F(3), and one F(8) atom. The Sr(4)-O(10) bond length is 2.45 Å. The Sr(4)-O(3) bond length is 3.05 Å. The Sr(4)-O(7) bond length is 2.90 Å. The Sr(4)-F(2) bond length is 2.97 Å. The Sr(4)-F(3) bond length is 2.48 Å. The Sr(4)-F(8) bond length is 2.47 Å. In the fifth Sr site, Sr(5) is bonded in a 3-coordinate geometry to one O(3), one O(8), two equivalent O(16), one F(1), one F(4), and one F(5) atom. The Sr(5)-O(3) bond length is 2.71 Å. The Sr(5)-O(8) bond length is 2.46 Å. There is one shorter (2.80 Å) and one longer (3.04 Å) Sr(5)-O(16) bond length. The Sr(5)-F(1) bond length is 2.49 Å. The Sr(5)-F(4) bond length is 2.48 Å. The Sr(5)-F(5) bond length is 2.83 Å. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(15), one O(4), one O(9), one F(2), and one F(6) atom. The La(1)-O(12) bond length is 2.52 Å. The La(1)-O(13) bond length is 2.53 Å. The La(1)-O(15) bond length is 2.41 Å. The La(1)-O(4) bond length is 2.47 Å. The La(1)-O(9) bond length is 2.46 Å. The La(1)-F(2) bond length is 2.54 Å. The La(1)-F(6) bond length is 2.96 Å. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(4), one O(5), one O(6), one F(6), and one F(7) atom. The La(2)-O(1) bond length is 2.37 Å. The La(2)-O(11) bond length is 2.52 Å. The La(2)-O(12) bond length is 2.94 Å. The La(2)-O(4) bond length is 3.05 Å. The La(2)-O(5) bond length is 2.38 Å. The La(2)-O(6) bond length is 2.43 Å. The La(2)-F(6) bond length is 2.68 Å. The La(2)-F(7) bond length is 2.79 Å. In the third La site, La(3) is bonded in a 10-coordinate geometry to one O(13), one O(14), one O(2), one O(3), one O(7), two equivalent O(10), one F(3), one F(4), and one F(8) atom. The La(3)-O(13) bond length is 3.04 Å. The La(3)-O(14) bond length is 2.43 Å. The La(3)-O(2) bond length is 2.37 Å. The La(3)-O(3) bond length is 2.86 Å. The La(3)-O(7) bond length is 2.46 Å. There is one shorter (2.72 Å) and one longer (3.12 Å) La(3)-O(10) bond length. The La(3)-F(3) bond length is 2.70 Å. The La(3)-F(4) bond length is 3.17 Å. The La(3)-F(8) bond length is 2.65 Å. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(16), one O(2), one O(3), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(7)O3F3 octahedra,  a cornercorner with one Mn(8)O4F2 octahedra, and corners with four equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-30°. The Mn(1)-O(14) bond length is 2.13 Å. The Mn(1)-O(16) bond length is 2.00 Å. The Mn(1)-O(2) bond length is 2.05 Å. The Mn(1)-O(3) bond length is 2.12 Å. The Mn(1)-F(3) bond length is 2.10 Å. The Mn(1)-F(4) bond length is 2.08 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(15), one O(4), one O(5), and one F(6) atom to form MnO5F octahedra that share  a cornercorner with one Mn(7)O3F3 octahedra,  a cornercorner with one Mn(8)O4F2 octahedra, and corners with four equivalent Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 12-32°. The Mn(2)-O(1) bond length is 2.06 Å. The Mn(2)-O(12) bond length is 1.98 Å. The Mn(2)-O(15) bond length is 2.01 Å. The Mn(2)-O(4) bond length is 2.06 Å. The Mn(2)-O(5) bond length is 2.00 Å. The Mn(2)-F(6) bond length is 2.29 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(6), one O(8), one F(1), one F(5), and one F(7) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(5)O4F2 octahedra,  a cornercorner with one Mn(6)O5F octahedra, and corners with four equivalent Mn(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 18-30°. The Mn(3)-O(11) bond length is 2.06 Å. The Mn(3)-O(6) bond length is 2.01 Å. The Mn(3)-O(8) bond length is 2.03 Å. The Mn(3)-F(1) bond length is 2.13 Å. The Mn(3)-F(5) bond length is 2.19 Å. The Mn(3)-F(7) bond length is 2.12 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(13), one O(7), one O(9), one F(2), and one F(8) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(5)O4F2 octahedra,  a cornercorner with one Mn(6)O5F octahedra, and corners with four equivalent Mn(8)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 18-35°. The Mn(4)-O(10) bond length is 2.04 Å. The Mn(4)-O(13) bond length is 2.09 Å. The Mn(4)-O(7) bond length is 2.09 Å. The Mn(4)-O(9) bond length is 2.06 Å. The Mn(4)-F(2) bond length is 2.16 Å. The Mn(4)-F(8) bond length is 2.11 Å. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(14), one O(3), one O(8), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra, and corners with four equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 13-26°. The Mn(5)-O(10) bond length is 2.00 Å. The Mn(5)-O(14) bond length is 2.08 Å. The Mn(5)-O(3) bond length is 2.05 Å. The Mn(5)-O(8) bond length is 1.99 Å. The Mn(5)-F(3) bond length is 2.12 Å. The Mn(5)-F(4) bond length is 2.10 Å. In the sixth Mn site, Mn(6) is bonded to one O(11), one O(12), one O(4), one O(5), one O(9), and one F(6) atom to form MnO5F octahedra that share  a cornercorner with one Mn(3)O3F3 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra, and corners with four equivalent Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 12-35°. The Mn(6)-O(11) bond length is 2.01 Å. The Mn(6)-O(12) bond length is 2.13 Å. The Mn(6)-O(4) bond length is 1.98 Å. The Mn(6)-O(5) bond length is 2.17 Å. The Mn(6)-O(9) bond length is 2.00 Å. The Mn(6)-F(6) bond length is 2.13 Å. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(16), one O(6), one F(1), one F(5), and one F(7) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O5F octahedra, and corners with four equivalent Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 18-32°. The Mn(7)-O(1) bond length is 2.06 Å. The Mn(7)-O(16) bond length is 1.99 Å. The Mn(7)-O(6) bond length is 1.98 Å. The Mn(7)-F(1) bond length is 2.13 Å. The Mn(7)-F(5) bond length is 2.16 Å. The Mn(7)-F(7) bond length is 2.14 Å. In the eighth Mn site, Mn(8) is bonded to one O(13), one O(15), one O(2), one O(7), one F(2), and one F(8) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O5F octahedra, and corners with four equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 18-32°. The Mn(8)-O(13) bond length is 2.07 Å. The Mn(8)-O(15) bond length is 2.04 Å. The Mn(8)-O(2) bond length is 2.03 Å. The Mn(8)-O(7) bond length is 2.10 Å. The Mn(8)-F(2) bond length is 2.12 Å. The Mn(8)-F(8) bond length is 2.12 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), one La(2), one Mn(2), and one Mn(7) atom to form distorted corner-sharing OSrLaMn2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(3), one Mn(1), and one Mn(8) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(4), one Sr(5), one La(3), one Mn(1), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one La(1), one La(2), one Mn(2), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(3), one La(2), one Mn(2), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(3), one La(2), one Mn(3), and one Mn(7) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one La(3), one Mn(4), and one Mn(8) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Sr(5), two equivalent Sr(1), one Mn(3), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Sr(2), one La(1), one Mn(4), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Sr(4), two equivalent La(3), one Mn(4), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(3), one La(2), one Mn(3), and one Mn(6) atom. In the twelfth O site, O(12) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), one La(1), one La(2), one Mn(2), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Sr(2), one La(1), one La(3), one Mn(4), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Sr(1), one La(3), one Mn(1), and one Mn(5) atom. In the fifteenth O site, O(15) is bonded to one Sr(2), one La(1), one Mn(2), and one Mn(8) atom to form distorted corner-sharing OSrLaMn2 tetrahedra. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(5), one Mn(1), and one Mn(7) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(3), one Sr(5), one Mn(3), and one Mn(7) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one La(1), one Mn(4), and one Mn(8) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Sr(4), one La(3), one Mn(1), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one La(3), one Mn(1), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(5), one Mn(3), and one Mn(7) atom. In the sixth F site, F(6) is bonded in a 5-coordinate geometry to one Sr(3), one La(1), one La(2), one Mn(2), and one Mn(6) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Sr(3), one La(2), one Mn(3), and one Mn(7) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Sr(4), one La(3), one Mn(4), and one Mn(8) atom.