CrCu3(PO4)4 crystallizes in the monoclinic Pm space group. Cr(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Cu site, Cu(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(7), and two equivalent O(5) atoms. In the third Cu site, Cu(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and  an edgeedge with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom.
CrCu3(PO4)4 crystallizes in the monoclinic Pm space group. Cr(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form CrO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The Cr(1)-O(1) bond length is 1.94 Å. The Cr(1)-O(9) bond length is 1.98 Å. Both Cr(1)-O(11) bond lengths are 1.97 Å. Both Cr(1)-O(5) bond lengths are 2.08 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Cu(1)-O(12) bond length is 1.90 Å. The Cu(1)-O(4) bond length is 1.92 Å. Both Cu(1)-O(2) bond lengths are 2.00 Å. Both Cu(1)-O(8) bond lengths are 2.24 Å. In the second Cu site, Cu(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(7), and two equivalent O(5) atoms. The Cu(2)-O(3) bond length is 1.86 Å. The Cu(2)-O(7) bond length is 1.86 Å. Both Cu(2)-O(5) bond lengths are 1.96 Å. In the third Cu site, Cu(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Cu(3)-O(10) bond length is 1.90 Å. The Cu(3)-O(6) bond length is 1.90 Å. Both Cu(3)-O(2) bond lengths are 2.31 Å. Both Cu(3)-O(8) bond lengths are 1.99 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-55°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(10) bond length is 1.55 Å. Both P(1)-O(2) bond lengths are 1.57 Å. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. The P(2)-O(6) bond length is 1.53 Å. The P(2)-O(9) bond length is 1.51 Å. Both P(2)-O(5) bond lengths are 1.59 Å. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and  an edgeedge with one Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. The P(3)-O(4) bond length is 1.54 Å. The P(3)-O(7) bond length is 1.55 Å. Both P(3)-O(8) bond lengths are 1.58 Å. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra and corners with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The P(4)-O(12) bond length is 1.54 Å. The P(4)-O(3) bond length is 1.56 Å. Both P(4)-O(11) bond lengths are 1.57 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom.