Cu2(OH)3Cl crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to one O(2), one O(3), two equivalent O(1), and two equivalent Cl(1) atoms. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one Cl(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one Cl(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Cu(3), two equivalent Cu(1), and one H(3) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(2) atom. Cl(1) is bonded in a 6-coordinate geometry to one Cu(2), two equivalent Cu(1), one H(1), one H(2), and one H(3) atom.
Cu2(OH)3Cl crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted square co-planar geometry to one O(2), one O(3), two equivalent O(1), and two equivalent Cl(1) atoms. The Cu(1)-O(2) bond length is 2.01 Å. The Cu(1)-O(3) bond length is 1.95 Å. There is one shorter (2.00 Å) and one longer (2.01 Å) Cu(1)-O(1) bond length. There is one shorter (2.82 Å) and one longer (2.90 Å) Cu(1)-Cl(1) bond length. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(2), two equivalent O(3), and two equivalent Cl(1) atoms. Both Cu(2)-O(2) bond lengths are 2.00 Å. Both Cu(2)-O(3) bond lengths are 1.95 Å. Both Cu(2)-Cl(1) bond lengths are 2.84 Å. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Cu(3)-O(1) bond lengths are 2.03 Å. Both Cu(3)-O(2) bond lengths are 2.00 Å. Both Cu(3)-O(3) bond lengths are 2.37 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) and one Cl(1) atom. The H(1)-O(3) bond length is 0.99 Å. The H(1)-Cl(1) bond length is 2.09 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one Cl(1) atom. The H(2)-O(2) bond length is 1.00 Å. The H(2)-Cl(1) bond length is 2.04 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(1) and one Cl(1) atom. The H(3)-O(1) bond length is 0.99 Å. The H(3)-Cl(1) bond length is 2.09 Å. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Cu(3), two equivalent Cu(1), and one H(3) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one Cu(1), one Cu(2), one Cu(3), and one H(2) atom. Cl(1) is bonded in a 6-coordinate geometry to one Cu(2), two equivalent Cu(1), one H(1), one H(2), and one H(3) atom.