Sr4WMoCu2O12 crystallizes in the tetragonal P4/m space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrO8 cuboctahedra that share corners with four equivalent Sr(1)O8 cuboctahedra, edges with six equivalent Sr(1)O8 cuboctahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. W(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. Mo(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Cu(2)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CuO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one W(1), and one Cu(2) atom to form OSr4CuW octahedra that share corners with six equivalent O(1)Sr4CuW octahedra and edges with four equivalent O(2)Sr4CuMo octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Cu(1) atom to form distorted OSr4CuMo octahedra that share corners with six equivalent O(2)Sr4CuMo octahedra and edges with four equivalent O(1)Sr4CuW octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mo(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one W(1), and one Cu(1) atom.
Sr4WMoCu2O12 crystallizes in the tetragonal P4/m space group. Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted SrO8 cuboctahedra that share corners with four equivalent Sr(1)O8 cuboctahedra, edges with six equivalent Sr(1)O8 cuboctahedra, edges with two equivalent W(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. Both Sr(1)-O(1) bond lengths are 2.76 Å. Both Sr(1)-O(2) bond lengths are 2.76 Å. Both Sr(1)-O(3) bond lengths are 2.66 Å. Both Sr(1)-O(4) bond lengths are 2.67 Å. W(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form WO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. Both W(1)-O(1) bond lengths are 1.95 Å. All W(1)-O(4) bond lengths are 1.95 Å. Mo(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Cu(2)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. Both Mo(1)-O(2) bond lengths are 1.95 Å. All Mo(1)-O(3) bond lengths are 1.95 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form CuO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. Both Cu(1)-O(2) bond lengths are 2.31 Å. All Cu(1)-O(4) bond lengths are 2.00 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CuO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, and edges with eight equivalent Sr(1)O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-20°. Both Cu(2)-O(1) bond lengths are 2.30 Å. All Cu(2)-O(3) bond lengths are 2.00 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one W(1), and one Cu(2) atom to form OSr4CuW octahedra that share corners with six equivalent O(1)Sr4CuW octahedra and edges with four equivalent O(2)Sr4CuMo octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Mo(1), and one Cu(1) atom to form distorted OSr4CuMo octahedra that share corners with six equivalent O(2)Sr4CuMo octahedra and edges with four equivalent O(1)Sr4CuW octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mo(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one W(1), and one Cu(1) atom.