ZrMn(CuSe2)2 crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a 5-coordinate geometry to two equivalent Cu(1), one Se(1), one Se(2), one Se(3), and two equivalent Se(4) atoms. Mn(1) is bonded in a 4-coordinate geometry to one Cu(1), one Se(2), one Se(3), and two equivalent Se(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Mn(1), one Se(2), one Se(4), two equivalent Se(1), and two equivalent Se(3) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Se(1), one Se(3), and two equivalent Se(2) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Zr(1), two equivalent Mn(1), one Cu(2), and two equivalent Cu(1) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one Zr(1), one Mn(1), one Cu(1), and two equivalent Cu(2) atoms. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to one Zr(1), one Mn(1), one Cu(2), and two equivalent Cu(1) atoms. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Cu(1) atom.
ZrMn(CuSe2)2 crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a 5-coordinate geometry to two equivalent Cu(1), one Se(1), one Se(2), one Se(3), and two equivalent Se(4) atoms. Both Zr(1)-Cu(1) bond lengths are 2.97 Å. The Zr(1)-Se(1) bond length is 2.85 Å. The Zr(1)-Se(2) bond length is 2.67 Å. The Zr(1)-Se(3) bond length is 2.52 Å. Both Zr(1)-Se(4) bond lengths are 2.61 Å. Mn(1) is bonded in a 4-coordinate geometry to one Cu(1), one Se(2), one Se(3), and two equivalent Se(1) atoms. The Mn(1)-Cu(1) bond length is 2.93 Å. The Mn(1)-Se(2) bond length is 2.57 Å. The Mn(1)-Se(3) bond length is 2.57 Å. Both Mn(1)-Se(1) bond lengths are 2.59 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), one Mn(1), one Se(2), one Se(4), two equivalent Se(1), and two equivalent Se(3) atoms. The Cu(1)-Se(2) bond length is 2.43 Å. The Cu(1)-Se(4) bond length is 2.44 Å. Both Cu(1)-Se(1) bond lengths are 2.96 Å. Both Cu(1)-Se(3) bond lengths are 3.11 Å. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Se(1), one Se(3), and two equivalent Se(2) atoms. The Cu(2)-Se(1) bond length is 2.42 Å. The Cu(2)-Se(3) bond length is 2.54 Å. Both Cu(2)-Se(2) bond lengths are 2.64 Å. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to one Zr(1), two equivalent Mn(1), one Cu(2), and two equivalent Cu(1) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one Zr(1), one Mn(1), one Cu(1), and two equivalent Cu(2) atoms. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to one Zr(1), one Mn(1), one Cu(2), and two equivalent Cu(1) atoms. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to two equivalent Zr(1) and one Cu(1) atom.