BaLa4TiCr4O15 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded to one O(6), one O(7), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms to form distorted BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Cr(1)O6 octahedra, and faces with two equivalent Cr(3)O6 octahedra. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(1), one O(11), one O(12), one O(15), 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 second La site, La(2) is bonded in a 9-coordinate geometry to one O(4), one O(6), one O(8), two equivalent O(10), two equivalent O(13), and two equivalent O(14) atoms. In the third La site, La(3) is bonded in a 3-coordinate geometry to one O(12), one O(4), one O(7), and one O(8) atom. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(3), one O(5), one O(9), and two equivalent O(6) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-16°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(15), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-22°. In the second Cr site, Cr(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(4) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-25°. In the third Cr site, Cr(3) is bonded to one O(11), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-23°. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(12), one O(13), one O(14), one O(15), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-25°. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one La(1), one La(4), one Ti(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one La(1), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one La(1), one La(4), one Ti(1), and one Cr(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Cr(2), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one La(1), one La(4), one Ti(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one La(2), two equivalent La(4), one Cr(1), and one Cr(3) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one La(3), two equivalent La(1), one Cr(1), and one Cr(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Cr(1), and one Cr(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one La(1), one La(4), one Ti(1), and one Cr(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent La(2), one Cr(2), and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(1), one La(4), one Cr(2), and one Cr(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one La(1), one La(3), one Cr(2), and one Cr(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(4), two equivalent La(2), one Cr(2), and one Cr(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to two equivalent La(2), one Cr(2), and one Cr(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one La(1), one La(4), one Cr(1), and one Cr(4) atom.
BaLa4TiCr4O15 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded to one O(6), one O(7), two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms to form distorted BaO12 cuboctahedra that share corners with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ti(1)O6 octahedra, faces with two equivalent Ti(2)O6 octahedra, faces with two equivalent Cr(1)O6 octahedra, and faces with two equivalent Cr(3)O6 octahedra. The Ba(1)-O(6) bond length is 3.20 Å. The Ba(1)-O(7) bond length is 2.65 Å. There is one shorter (2.87 Å) and one longer (3.07 Å) Ba(1)-O(1) bond length. There is one shorter (2.79 Å) and one longer (2.80 Å) Ba(1)-O(2) bond length. There is one shorter (2.87 Å) and one longer (3.08 Å) Ba(1)-O(3) bond length. There is one shorter (2.67 Å) and one longer (2.85 Å) Ba(1)-O(5) bond length. There is one shorter (2.68 Å) and one longer (2.84 Å) Ba(1)-O(9) bond length. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one O(1), one O(11), one O(12), one O(15), 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(1)-O(1) bond length is 2.76 Å. The La(1)-O(11) bond length is 2.42 Å. The La(1)-O(12) bond length is 3.18 Å. The La(1)-O(15) bond length is 2.42 Å. The La(1)-O(2) bond length is 2.57 Å. The La(1)-O(3) bond length is 2.75 Å. The La(1)-O(4) bond length is 2.86 Å. The La(1)-O(5) bond length is 2.98 Å. The La(1)-O(8) bond length is 2.85 Å. The La(1)-O(9) bond length is 2.99 Å. There is one shorter (2.77 Å) and one longer (2.81 Å) La(1)-O(7) bond length. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(4), one O(6), one O(8), two equivalent O(10), two equivalent O(13), and two equivalent O(14) atoms. The La(2)-O(4) bond length is 2.73 Å. The La(2)-O(6) bond length is 2.44 Å. The La(2)-O(8) bond length is 2.76 Å. There is one shorter (2.41 Å) and one longer (2.80 Å) La(2)-O(10) bond length. Both La(2)-O(13) bond lengths are 2.82 Å. There is one shorter (2.38 Å) and one longer (2.82 Å) La(2)-O(14) bond length. In the third La site, La(3) is bonded in a 3-coordinate geometry to one O(12), one O(4), one O(7), and one O(8) atom. The La(3)-O(12) bond length is 2.44 Å. The La(3)-O(4) bond length is 2.41 Å. The La(3)-O(7) bond length is 2.88 Å. The La(3)-O(8) bond length is 2.43 Å. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(1), one O(11), one O(13), one O(15), one O(3), one O(5), one O(9), and two equivalent O(6) atoms. The La(4)-O(1) bond length is 2.55 Å. The La(4)-O(11) bond length is 2.77 Å. The La(4)-O(13) bond length is 2.37 Å. The La(4)-O(15) bond length is 2.79 Å. The La(4)-O(3) bond length is 2.54 Å. The La(4)-O(5) bond length is 2.72 Å. The La(4)-O(9) bond length is 2.73 Å. Both La(4)-O(6) bond lengths are 2.81 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(9) atoms to form TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Cr(3)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-16°. Both Ti(1)-O(2) bond lengths are 2.00 Å. Both Ti(1)-O(3) bond lengths are 2.00 Å. Both Ti(1)-O(9) bond lengths are 1.95 Å. In the second Ti site, Ti(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form TiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 11-16°. Both Ti(2)-O(1) bond lengths are 2.00 Å. Both Ti(2)-O(2) bond lengths are 1.99 Å. Both Ti(2)-O(5) bond lengths are 1.95 Å. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(15), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Cr(4)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-22°. The Cr(1)-O(1) bond length is 2.03 Å. The Cr(1)-O(15) bond length is 2.01 Å. The Cr(1)-O(5) bond length is 2.03 Å. The Cr(1)-O(6) bond length is 2.01 Å. The Cr(1)-O(7) bond length is 1.98 Å. The Cr(1)-O(8) bond length is 2.01 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(4) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 21-25°. The Cr(2)-O(10) bond length is 2.01 Å. The Cr(2)-O(11) bond length is 2.00 Å. The Cr(2)-O(12) bond length is 2.02 Å. The Cr(2)-O(13) bond length is 2.02 Å. The Cr(2)-O(14) bond length is 2.00 Å. The Cr(2)-O(4) bond length is 2.01 Å. In the third Cr site, Cr(3) is bonded to one O(11), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 9-23°. The Cr(3)-O(11) bond length is 2.01 Å. The Cr(3)-O(3) bond length is 2.04 Å. The Cr(3)-O(4) bond length is 2.01 Å. The Cr(3)-O(6) bond length is 2.01 Å. The Cr(3)-O(7) bond length is 1.98 Å. The Cr(3)-O(9) bond length is 2.03 Å. In the fourth Cr site, Cr(4) is bonded to one O(10), one O(12), one O(13), one O(14), one O(15), and one O(8) atom to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 20-25°. The Cr(4)-O(10) bond length is 2.00 Å. The Cr(4)-O(12) bond length is 2.02 Å. The Cr(4)-O(13) bond length is 2.02 Å. The Cr(4)-O(14) bond length is 2.01 Å. The Cr(4)-O(15) bond length is 1.99 Å. The Cr(4)-O(8) bond length is 2.01 Å. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one La(1), one La(4), one Ti(2), and one Cr(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one La(1), one Ti(1), and one Ti(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one La(1), one La(4), one Ti(1), and one Cr(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Cr(2), and one Cr(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one La(1), one La(4), one Ti(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one La(2), two equivalent La(4), one Cr(1), and one Cr(3) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one La(3), two equivalent La(1), one Cr(1), and one Cr(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(1), one La(2), one La(3), one Cr(1), and one Cr(4) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one La(1), one La(4), one Ti(1), and one Cr(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent La(2), one Cr(2), and one Cr(4) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(1), one La(4), one Cr(2), and one Cr(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one La(1), one La(3), one Cr(2), and one Cr(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one La(4), two equivalent La(2), one Cr(2), and one Cr(4) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to two equivalent La(2), one Cr(2), and one Cr(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one La(1), one La(4), one Cr(1), and one Cr(4) atom.