Cu2PO5 crystallizes in the monoclinic Pm space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(15), one O(16), and one O(9) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(13), and one O(14) atom. In the third Cu site, Cu(3) is bonded in a distorted see-saw-like geometry to one O(1), one O(8), and two equivalent O(13) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted see-saw-like geometry to one O(2), one O(7), and two equivalent O(14) atoms. In the fifth Cu site, Cu(5) is bonded in a distorted see-saw-like geometry to one O(3), one O(6), and two equivalent O(15) atoms. In the sixth Cu site, Cu(6) is bonded in a distorted see-saw-like geometry to one O(4), one O(5), and two equivalent O(16) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(5), one O(9), and two equivalent O(13) atoms. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(6), and two equivalent O(14) atoms. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(11), one O(7), and two equivalent O(15) atoms. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(12), one O(8), and two equivalent O(16) atoms. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cu(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cu(4) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cu(5) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cu(6) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(6) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(5) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(4) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(3) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(4), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(5), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(6), and one P(4) atom.
Cu2PO5 crystallizes in the monoclinic Pm space group. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(15), one O(16), and one O(9) atom. The Cu(1)-O(10) bond length is 2.26 Å. The Cu(1)-O(15) bond length is 1.92 Å. The Cu(1)-O(16) bond length is 1.92 Å. The Cu(1)-O(9) bond length is 2.26 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(13), and one O(14) atom. The Cu(2)-O(11) bond length is 2.26 Å. The Cu(2)-O(12) bond length is 2.27 Å. The Cu(2)-O(13) bond length is 1.92 Å. The Cu(2)-O(14) bond length is 1.92 Å. In the third Cu site, Cu(3) is bonded in a distorted see-saw-like geometry to one O(1), one O(8), and two equivalent O(13) atoms. The Cu(3)-O(1) bond length is 1.73 Å. The Cu(3)-O(8) bond length is 1.86 Å. Both Cu(3)-O(13) bond lengths are 2.11 Å. In the fourth Cu site, Cu(4) is bonded in a distorted see-saw-like geometry to one O(2), one O(7), and two equivalent O(14) atoms. The Cu(4)-O(2) bond length is 1.73 Å. The Cu(4)-O(7) bond length is 1.86 Å. Both Cu(4)-O(14) bond lengths are 2.09 Å. In the fifth Cu site, Cu(5) is bonded in a distorted see-saw-like geometry to one O(3), one O(6), and two equivalent O(15) atoms. The Cu(5)-O(3) bond length is 1.73 Å. The Cu(5)-O(6) bond length is 1.87 Å. Both Cu(5)-O(15) bond lengths are 2.10 Å. In the sixth Cu site, Cu(6) is bonded in a distorted see-saw-like geometry to one O(4), one O(5), and two equivalent O(16) atoms. The Cu(6)-O(4) bond length is 1.73 Å. The Cu(6)-O(5) bond length is 1.86 Å. Both Cu(6)-O(16) bond lengths are 2.09 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded in a tetrahedral geometry to one O(5), one O(9), and two equivalent O(13) atoms. The P(1)-O(5) bond length is 1.53 Å. The P(1)-O(9) bond length is 1.54 Å. Both P(1)-O(13) bond lengths are 1.59 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(6), and two equivalent O(14) atoms. The P(2)-O(10) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.53 Å. Both P(2)-O(14) bond lengths are 1.59 Å. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(11), one O(7), and two equivalent O(15) atoms. The P(3)-O(11) bond length is 1.54 Å. The P(3)-O(7) bond length is 1.53 Å. Both P(3)-O(15) bond lengths are 1.59 Å. In the fourth P site, P(4) is bonded in a tetrahedral geometry to one O(12), one O(8), and two equivalent O(16) atoms. The P(4)-O(12) bond length is 1.54 Å. The P(4)-O(8) bond length is 1.53 Å. Both P(4)-O(16) bond lengths are 1.59 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cu(3) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Cu(4) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cu(5) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cu(6) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(6) and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(5) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cu(4) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Cu(3) and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Cu(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Cu(2), one Cu(4), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(5), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a trigonal non-coplanar geometry to one Cu(1), one Cu(6), and one P(4) atom.