CuReO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(7) atom. In the second Re site, Re(2) is bonded in a tetrahedral geometry to one O(3), one O(5), one O(6), and one O(8) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a see-saw-like geometry to one O(1), one O(3), one O(5), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a distorted see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Re(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Re(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Re(2) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Re(2) and one Cu(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Re(2) and one Cu(2) atom.
CuReO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(4), and one O(7) atom. The Re(1)-O(1) bond length is 1.77 Å. The Re(1)-O(2) bond length is 1.78 Å. The Re(1)-O(4) bond length is 1.77 Å. The Re(1)-O(7) bond length is 1.76 Å. In the second Re site, Re(2) is bonded in a tetrahedral geometry to one O(3), one O(5), one O(6), and one O(8) atom. The Re(2)-O(3) bond length is 1.76 Å. The Re(2)-O(5) bond length is 1.78 Å. The Re(2)-O(6) bond length is 1.77 Å. The Re(2)-O(8) bond length is 1.76 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a see-saw-like geometry to one O(1), one O(3), one O(5), and one O(7) atom. The Cu(1)-O(1) bond length is 1.93 Å. The Cu(1)-O(3) bond length is 2.05 Å. The Cu(1)-O(5) bond length is 1.98 Å. The Cu(1)-O(7) bond length is 2.05 Å. In the second Cu site, Cu(2) is bonded in a distorted see-saw-like geometry to one O(2), one O(4), one O(6), and one O(8) atom. The Cu(2)-O(2) bond length is 1.94 Å. The Cu(2)-O(4) bond length is 1.97 Å. The Cu(2)-O(6) bond length is 2.19 Å. The Cu(2)-O(8) bond length is 2.01 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Re(2) and one Cu(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Re(1) and one Cu(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Re(2) and one Cu(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Re(2) and one Cu(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Re(1) and one Cu(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Re(2) and one Cu(2) atom.