SmLa3V2Cr2O12 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pmm2 space group. Sm(1) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(7), two equivalent O(8), and four equivalent O(5) atoms to form SmO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with four equivalent V(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. There are three inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(7), two equivalent O(8), and four equivalent O(5) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with four equivalent V(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. In the second La site, La(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(7), two equivalent O(8), and four equivalent O(6) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with four equivalent V(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. In the third La site, La(3) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(7), two equivalent O(8), and four equivalent O(6) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with four equivalent V(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. V(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. Cr(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Cr(1) atoms to form distorted edge-sharing OLa4Cr2 octahedra. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sm(1), two equivalent La(3), and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sm(1), two equivalent La(3), and two equivalent Cr(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Sm(1), two equivalent La(1), one V(1), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to two equivalent La(2), two equivalent La(3), one V(1), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sm(1), one La(1), one La(2), one La(3), and two equivalent V(1) atoms. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sm(1), one La(1), one La(2), one La(3), and two equivalent Cr(1) atoms.
SmLa3V2Cr2O12 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pmm2 space group. Sm(1) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(7), two equivalent O(8), and four equivalent O(5) atoms to form SmO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with four equivalent V(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Both Sm(1)-O(3) bond lengths are 2.76 Å. Both Sm(1)-O(4) bond lengths are 2.73 Å. Both Sm(1)-O(7) bond lengths are 2.79 Å. Both Sm(1)-O(8) bond lengths are 2.73 Å. All Sm(1)-O(5) bond lengths are 2.75 Å. There are three inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(7), two equivalent O(8), and four equivalent O(5) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with four equivalent V(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Both La(1)-O(1) bond lengths are 2.80 Å. Both La(1)-O(2) bond lengths are 2.77 Å. Both La(1)-O(7) bond lengths are 2.79 Å. Both La(1)-O(8) bond lengths are 2.78 Å. All La(1)-O(5) bond lengths are 2.81 Å. In the second La site, La(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(7), two equivalent O(8), and four equivalent O(6) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with four equivalent V(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Both La(2)-O(1) bond lengths are 2.78 Å. Both La(2)-O(2) bond lengths are 2.76 Å. Both La(2)-O(7) bond lengths are 2.83 Å. Both La(2)-O(8) bond lengths are 2.79 Å. All La(2)-O(6) bond lengths are 2.77 Å. In the third La site, La(3) is bonded to two equivalent O(3), two equivalent O(4), two equivalent O(7), two equivalent O(8), and four equivalent O(6) atoms to form LaO12 cuboctahedra that share corners with four equivalent Sm(1)O12 cuboctahedra, corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with two equivalent La(3)O12 cuboctahedra, faces with four equivalent V(1)O6 octahedra, and faces with four equivalent Cr(1)O6 octahedra. Both La(3)-O(3) bond lengths are 2.82 Å. Both La(3)-O(4) bond lengths are 2.79 Å. Both La(3)-O(7) bond lengths are 2.79 Å. Both La(3)-O(8) bond lengths are 2.78 Å. All La(3)-O(6) bond lengths are 2.78 Å. V(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. The V(1)-O(1) bond length is 1.98 Å. The V(1)-O(3) bond length is 1.97 Å. The V(1)-O(5) bond length is 1.99 Å. The V(1)-O(6) bond length is 2.00 Å. Both V(1)-O(7) bond lengths are 1.95 Å. Cr(1) is bonded to one O(2), one O(4), one O(5), one O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, faces with two equivalent Sm(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, and faces with two equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Cr(1)-O(2) bond length is 1.98 Å. The Cr(1)-O(4) bond length is 1.97 Å. The Cr(1)-O(5) bond length is 1.94 Å. The Cr(1)-O(6) bond length is 1.96 Å. Both Cr(1)-O(8) bond lengths are 1.95 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent V(1) atoms. In the second O site, O(2) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Cr(1) atoms to form distorted edge-sharing OLa4Cr2 octahedra. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sm(1), two equivalent La(3), and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sm(1), two equivalent La(3), and two equivalent Cr(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Sm(1), two equivalent La(1), one V(1), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to two equivalent La(2), two equivalent La(3), one V(1), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sm(1), one La(1), one La(2), one La(3), and two equivalent V(1) atoms. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sm(1), one La(1), one La(2), one La(3), and two equivalent Cr(1) atoms.