MoCr14O24 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. Mo(1) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms to form MoO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Cr(7)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are seven inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(5)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Cr(7)O6 octahedra, and  a faceface with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. In the second Cr site, Cr(2) is bonded to one O(1), one O(12), one O(2), one O(3), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(6)O6 octahedra, corners with three equivalent Cr(7)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the third Cr site, Cr(3) is bonded to one O(2), one O(4), one O(8), one O(9), and two equivalent O(6) atoms to form a mixture of face, corner, and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. In the fourth Cr site, Cr(4) is bonded to one O(4), one O(9), two equivalent O(6), and two equivalent O(8) atoms to form a mixture of face, corner, and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form a mixture of face, corner, and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. In the sixth Cr site, Cr(6) is bonded to one O(1), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form a mixture of face, corner, and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. In the seventh Cr site, Cr(7) is bonded to one O(11), one O(12), one O(3), one O(5), and two equivalent O(10) atoms to form CrO6 octahedra that share  a cornercorner with one Cr(5)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(7)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Cr(2), one Cr(5), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the second O site, O(2) is bonded to one Cr(2), one Cr(3), one Cr(5), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(1), one Cr(2), and one Cr(7) atom. In the fourth O site, O(4) is bonded to one Cr(3), one Cr(4), one Cr(5), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the fifth O site, O(5) is bonded to one Cr(1), one Cr(2), one Cr(5), and one Cr(7) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Cr(3) and two equivalent Cr(4) atoms to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Cr(1), one Cr(2), one Cr(5), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the eighth O site, O(8) is bonded to one Cr(3), one Cr(6), and two equivalent Cr(4) atoms to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the ninth O site, O(9) is bonded to one Cr(3), one Cr(4), one Cr(5), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1) and two equivalent Cr(7) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Cr(1), and one Cr(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Cr(1), one Cr(2), and one Cr(7) atom.
MoCr14O24 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. Mo(1) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms to form MoO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Cr(7)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. Both Mo(1)-O(10) bond lengths are 1.91 Å. Both Mo(1)-O(11) bond lengths are 1.96 Å. Both Mo(1)-O(12) bond lengths are 2.04 Å. There are seven inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(7) atom to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(5)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Cr(6)O6 octahedra, edges with two equivalent Cr(7)O6 octahedra, and  a faceface with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-59°. The Cr(1)-O(1) bond length is 1.98 Å. The Cr(1)-O(11) bond length is 2.00 Å. The Cr(1)-O(12) bond length is 2.07 Å. The Cr(1)-O(3) bond length is 1.91 Å. The Cr(1)-O(5) bond length is 2.09 Å. The Cr(1)-O(7) bond length is 2.00 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(12), one O(2), one O(3), one O(5), and one O(7) atom to form CrO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(6)O6 octahedra, corners with three equivalent Cr(7)O6 octahedra, edges with two equivalent Cr(5)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. The Cr(2)-O(1) bond length is 2.02 Å. The Cr(2)-O(12) bond length is 2.13 Å. The Cr(2)-O(2) bond length is 2.01 Å. The Cr(2)-O(3) bond length is 1.92 Å. The Cr(2)-O(5) bond length is 2.06 Å. The Cr(2)-O(7) bond length is 2.10 Å. In the third Cr site, Cr(3) is bonded to one O(2), one O(4), one O(8), one O(9), and two equivalent O(6) atoms to form a mixture of face, corner, and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. The Cr(3)-O(2) bond length is 2.02 Å. The Cr(3)-O(4) bond length is 2.06 Å. The Cr(3)-O(8) bond length is 2.07 Å. The Cr(3)-O(9) bond length is 2.02 Å. There is one shorter (2.02 Å) and one longer (2.06 Å) Cr(3)-O(6) bond length. In the fourth Cr site, Cr(4) is bonded to one O(4), one O(9), two equivalent O(6), and two equivalent O(8) atoms to form a mixture of face, corner, and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 47-62°. The Cr(4)-O(4) bond length is 2.05 Å. The Cr(4)-O(9) bond length is 2.02 Å. There is one shorter (2.02 Å) and one longer (2.07 Å) Cr(4)-O(6) bond length. There is one shorter (2.01 Å) and one longer (2.06 Å) Cr(4)-O(8) bond length. In the fifth Cr site, Cr(5) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form a mixture of face, corner, and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 47-61°. The Cr(5)-O(1) bond length is 2.06 Å. The Cr(5)-O(2) bond length is 2.06 Å. The Cr(5)-O(4) bond length is 2.03 Å. The Cr(5)-O(5) bond length is 2.00 Å. The Cr(5)-O(7) bond length is 2.01 Å. The Cr(5)-O(9) bond length is 2.06 Å. In the sixth Cr site, Cr(6) is bonded to one O(1), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form a mixture of face, corner, and edge-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. The Cr(6)-O(1) bond length is 2.07 Å. The Cr(6)-O(2) bond length is 2.07 Å. The Cr(6)-O(4) bond length is 2.01 Å. The Cr(6)-O(7) bond length is 2.01 Å. The Cr(6)-O(8) bond length is 2.00 Å. The Cr(6)-O(9) bond length is 2.06 Å. In the seventh Cr site, Cr(7) is bonded to one O(11), one O(12), one O(3), one O(5), and two equivalent O(10) atoms to form CrO6 octahedra that share  a cornercorner with one Cr(5)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Cr(7)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. The Cr(7)-O(11) bond length is 1.99 Å. The Cr(7)-O(12) bond length is 2.06 Å. The Cr(7)-O(3) bond length is 1.93 Å. The Cr(7)-O(5) bond length is 2.00 Å. Both Cr(7)-O(10) bond lengths are 2.05 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Cr(2), one Cr(5), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the second O site, O(2) is bonded to one Cr(2), one Cr(3), one Cr(5), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(1), one Cr(2), and one Cr(7) atom. In the fourth O site, O(4) is bonded to one Cr(3), one Cr(4), one Cr(5), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the fifth O site, O(5) is bonded to one Cr(1), one Cr(2), one Cr(5), and one Cr(7) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the sixth O site, O(6) is bonded to two equivalent Cr(3) and two equivalent Cr(4) atoms to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the seventh O site, O(7) is bonded to one Cr(1), one Cr(2), one Cr(5), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the eighth O site, O(8) is bonded to one Cr(3), one Cr(6), and two equivalent Cr(4) atoms to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the ninth O site, O(9) is bonded to one Cr(3), one Cr(4), one Cr(5), and one Cr(6) atom to form a mixture of distorted corner and edge-sharing OCr4 trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1) and two equivalent Cr(7) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Cr(1), and one Cr(7) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Mo(1), one Cr(1), one Cr(2), and one Cr(7) atom.