Mn2Cu5P4(HO9)2 crystallizes in the triclinic P-1 space group. Mn(1) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(8), and two equivalent O(5) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(8) atoms. In the second Cu site, Cu(2) is bonded to one O(1), two equivalent O(3), and two equivalent O(7) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Cu(2)O5 trigonal bipyramids. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one O(2), one O(9), and two equivalent O(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids. H(1) is bonded in a single-bond geometry to one O(1) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Cu(3), and one H(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cu(3) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Mn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cu(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one P(2) atom.
Mn2Cu5P4(HO9)2 crystallizes in the triclinic P-1 space group. Mn(1) is bonded in a 5-coordinate geometry to one O(4), one O(6), one O(8), and two equivalent O(5) atoms. The Mn(1)-O(4) bond length is 2.14 Å. The Mn(1)-O(6) bond length is 2.13 Å. The Mn(1)-O(8) bond length is 2.20 Å. There is one shorter (2.15 Å) and one longer (2.21 Å) Mn(1)-O(5) bond length. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(8) atoms. Both Cu(1)-O(4) bond lengths are 2.02 Å. Both Cu(1)-O(8) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded to one O(1), two equivalent O(3), and two equivalent O(7) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Cu(2)O5 trigonal bipyramids. The Cu(2)-O(1) bond length is 1.95 Å. There is one shorter (1.96 Å) and one longer (2.23 Å) Cu(2)-O(3) bond length. There is one shorter (2.00 Å) and one longer (2.07 Å) Cu(2)-O(7) bond length. In the third Cu site, Cu(3) is bonded in a 4-coordinate geometry to one O(2), one O(9), and two equivalent O(1) atoms. The Cu(3)-O(2) bond length is 1.96 Å. The Cu(3)-O(9) bond length is 1.94 Å. There is one shorter (2.01 Å) and one longer (2.05 Å) Cu(3)-O(1) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.57 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(3), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cu(2)O5 trigonal bipyramids. The P(2)-O(3) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.55 Å. The P(2)-O(8) bond length is 1.57 Å. The P(2)-O(9) bond length is 1.54 Å. H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.99 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cu(2), two equivalent Cu(3), and one H(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cu(3) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cu(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Mn(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cu(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Cu(3) and one P(2) atom.