In2Cu2O5 crystallizes in the monoclinic P2 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(2), one O(4), and two equivalent O(10) atoms. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(2), one O(4), and one O(9) atom. In the fourth Cu site, Cu(4) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(6), and one O(7) atom. There are four inequivalent In sites. In the first In site, In(1) is bonded to one O(10), one O(5), two equivalent O(12), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 15-65°. In the second In site, In(2) is bonded to one O(11), one O(3), two equivalent O(4), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 16-65°. In the third In site, In(3) is bonded to one O(8), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 16-65°. In the fourth In site, In(4) is bonded to one O(1), one O(12), two equivalent O(3), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 18-65°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Cu(4) and two equivalent In(4) atoms. In the second O site, O(2) is bonded to one Cu(2), one Cu(3), and two equivalent In(1) atoms to form OIn2Cu2 trigonal pyramids that share  a cornercorner with one O(9)In3Cu tetrahedra, corners with two equivalent O(5)In3Cu tetrahedra, corners with three equivalent O(12)In3Cu tetrahedra, corners with two equivalent O(2)In2Cu2 trigonal pyramids,  an edgeedge with one O(12)In3Cu tetrahedra, and  an edgeedge with one O(4)In2Cu2 trigonal pyramid. In the third O site, O(3) is bonded to one Cu(4), one In(2), and two equivalent In(4) atoms to form distorted OIn3Cu tetrahedra that share corners with two equivalent O(12)In3Cu tetrahedra, corners with two equivalent O(3)In3Cu tetrahedra, corners with two equivalent O(9)In3Cu tetrahedra,  a cornercorner with one O(6)In2Cu2 trigonal pyramid, corners with two equivalent O(4)In2Cu2 trigonal pyramids, corners with three equivalent O(7)In2Cu2 trigonal pyramids, and  an edgeedge with one O(7)In2Cu2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Cu(2), one Cu(3), and two equivalent In(2) atoms to form OIn2Cu2 trigonal pyramids that share  a cornercorner with one O(12)In3Cu tetrahedra, corners with two equivalent O(3)In3Cu tetrahedra, corners with three equivalent O(9)In3Cu tetrahedra, corners with two equivalent O(4)In2Cu2 trigonal pyramids,  an edgeedge with one O(9)In3Cu tetrahedra, and  an edgeedge with one O(2)In2Cu2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Cu(1), one In(1), and two equivalent In(3) atoms to form distorted OIn3Cu tetrahedra that share corners with two equivalent O(12)In3Cu tetrahedra, corners with two equivalent O(5)In3Cu tetrahedra, corners with two equivalent O(9)In3Cu tetrahedra,  a cornercorner with one O(7)In2Cu2 trigonal pyramid, corners with two equivalent O(2)In2Cu2 trigonal pyramids, corners with three equivalent O(6)In2Cu2 trigonal pyramids, and  an edgeedge with one O(6)In2Cu2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Cu(1), one Cu(4), and two equivalent In(3) atoms to form OIn2Cu2 trigonal pyramids that share  a cornercorner with one O(3)In3Cu tetrahedra, corners with two equivalent O(9)In3Cu tetrahedra, corners with three equivalent O(5)In3Cu tetrahedra, corners with two equivalent O(6)In2Cu2 trigonal pyramids,  an edgeedge with one O(5)In3Cu tetrahedra, and  an edgeedge with one O(7)In2Cu2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Cu(1), one Cu(4), and two equivalent In(4) atoms to form OIn2Cu2 trigonal pyramids that share  a cornercorner with one O(5)In3Cu tetrahedra, corners with two equivalent O(12)In3Cu tetrahedra, corners with three equivalent O(3)In3Cu tetrahedra, corners with two equivalent O(7)In2Cu2 trigonal pyramids,  an edgeedge with one O(3)In3Cu tetrahedra, and  an edgeedge with one O(6)In2Cu2 trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent In(3) atoms. In the ninth O site, O(9) is bonded to one Cu(3), one In(3), and two equivalent In(2) atoms to form distorted OIn3Cu tetrahedra that share corners with two equivalent O(3)In3Cu tetrahedra, corners with two equivalent O(5)In3Cu tetrahedra, corners with two equivalent O(9)In3Cu tetrahedra,  a cornercorner with one O(2)In2Cu2 trigonal pyramid, corners with two equivalent O(6)In2Cu2 trigonal pyramids, corners with three equivalent O(4)In2Cu2 trigonal pyramids, and  an edgeedge with one O(4)In2Cu2 trigonal pyramid. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to four equivalent Cu(2) and two equivalent In(1) atoms. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Cu(3) and two equivalent In(2) atoms. In the twelfth O site, O(12) is bonded to one Cu(2), one In(4), and two equivalent In(1) atoms to form distorted OIn3Cu tetrahedra that share corners with two equivalent O(12)In3Cu tetrahedra, corners with two equivalent O(3)In3Cu tetrahedra, corners with two equivalent O(5)In3Cu tetrahedra,  a cornercorner with one O(4)In2Cu2 trigonal pyramid, corners with two equivalent O(7)In2Cu2 trigonal pyramids, corners with three equivalent O(2)In2Cu2 trigonal pyramids, and  an edgeedge with one O(2)In2Cu2 trigonal pyramid.
In2Cu2O5 crystallizes in the monoclinic P2 space group. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(6), one O(7), and one O(8) atom. The Cu(1)-O(5) bond length is 1.98 Å. The Cu(1)-O(6) bond length is 1.99 Å. The Cu(1)-O(7) bond length is 1.96 Å. The Cu(1)-O(8) bond length is 1.96 Å. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(2), one O(4), and two equivalent O(10) atoms. The Cu(2)-O(12) bond length is 1.98 Å. The Cu(2)-O(2) bond length is 1.99 Å. The Cu(2)-O(4) bond length is 1.96 Å. There is one shorter (1.98 Å) and one longer (2.62 Å) Cu(2)-O(10) bond length. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(2), one O(4), and one O(9) atom. The Cu(3)-O(11) bond length is 1.96 Å. The Cu(3)-O(2) bond length is 1.95 Å. The Cu(3)-O(4) bond length is 2.00 Å. The Cu(3)-O(9) bond length is 1.99 Å. In the fourth Cu site, Cu(4) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), one O(6), and one O(7) atom. The Cu(4)-O(1) bond length is 1.95 Å. The Cu(4)-O(3) bond length is 1.98 Å. The Cu(4)-O(6) bond length is 1.95 Å. The Cu(4)-O(7) bond length is 2.00 Å. There are four inequivalent In sites. In the first In site, In(1) is bonded to one O(10), one O(5), two equivalent O(12), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 15-65°. The In(1)-O(10) bond length is 2.28 Å. The In(1)-O(5) bond length is 2.17 Å. There is one shorter (2.22 Å) and one longer (2.23 Å) In(1)-O(12) bond length. There is one shorter (2.19 Å) and one longer (2.21 Å) In(1)-O(2) bond length. In the second In site, In(2) is bonded to one O(11), one O(3), two equivalent O(4), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 16-65°. The In(2)-O(11) bond length is 2.28 Å. The In(2)-O(3) bond length is 2.17 Å. There is one shorter (2.19 Å) and one longer (2.20 Å) In(2)-O(4) bond length. Both In(2)-O(9) bond lengths are 2.23 Å. In the third In site, In(3) is bonded to one O(8), one O(9), two equivalent O(5), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 16-65°. The In(3)-O(8) bond length is 2.28 Å. The In(3)-O(9) bond length is 2.16 Å. There is one shorter (2.20 Å) and one longer (2.26 Å) In(3)-O(5) bond length. There is one shorter (2.19 Å) and one longer (2.22 Å) In(3)-O(6) bond length. In the fourth In site, In(4) is bonded to one O(1), one O(12), two equivalent O(3), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing InO6 octahedra. The corner-sharing octahedral tilt angles range from 18-65°. The In(4)-O(1) bond length is 2.29 Å. The In(4)-O(12) bond length is 2.17 Å. There is one shorter (2.20 Å) and one longer (2.26 Å) In(4)-O(3) bond length. There is one shorter (2.19 Å) and one longer (2.22 Å) In(4)-O(7) bond length. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Cu(4) and two equivalent In(4) atoms. In the second O site, O(2) is bonded to one Cu(2), one Cu(3), and two equivalent In(1) atoms to form OIn2Cu2 trigonal pyramids that share  a cornercorner with one O(9)In3Cu tetrahedra, corners with two equivalent O(5)In3Cu tetrahedra, corners with three equivalent O(12)In3Cu tetrahedra, corners with two equivalent O(2)In2Cu2 trigonal pyramids,  an edgeedge with one O(12)In3Cu tetrahedra, and  an edgeedge with one O(4)In2Cu2 trigonal pyramid. In the third O site, O(3) is bonded to one Cu(4), one In(2), and two equivalent In(4) atoms to form distorted OIn3Cu tetrahedra that share corners with two equivalent O(12)In3Cu tetrahedra, corners with two equivalent O(3)In3Cu tetrahedra, corners with two equivalent O(9)In3Cu tetrahedra,  a cornercorner with one O(6)In2Cu2 trigonal pyramid, corners with two equivalent O(4)In2Cu2 trigonal pyramids, corners with three equivalent O(7)In2Cu2 trigonal pyramids, and  an edgeedge with one O(7)In2Cu2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Cu(2), one Cu(3), and two equivalent In(2) atoms to form OIn2Cu2 trigonal pyramids that share  a cornercorner with one O(12)In3Cu tetrahedra, corners with two equivalent O(3)In3Cu tetrahedra, corners with three equivalent O(9)In3Cu tetrahedra, corners with two equivalent O(4)In2Cu2 trigonal pyramids,  an edgeedge with one O(9)In3Cu tetrahedra, and  an edgeedge with one O(2)In2Cu2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Cu(1), one In(1), and two equivalent In(3) atoms to form distorted OIn3Cu tetrahedra that share corners with two equivalent O(12)In3Cu tetrahedra, corners with two equivalent O(5)In3Cu tetrahedra, corners with two equivalent O(9)In3Cu tetrahedra,  a cornercorner with one O(7)In2Cu2 trigonal pyramid, corners with two equivalent O(2)In2Cu2 trigonal pyramids, corners with three equivalent O(6)In2Cu2 trigonal pyramids, and  an edgeedge with one O(6)In2Cu2 trigonal pyramid. In the sixth O site, O(6) is bonded to one Cu(1), one Cu(4), and two equivalent In(3) atoms to form OIn2Cu2 trigonal pyramids that share  a cornercorner with one O(3)In3Cu tetrahedra, corners with two equivalent O(9)In3Cu tetrahedra, corners with three equivalent O(5)In3Cu tetrahedra, corners with two equivalent O(6)In2Cu2 trigonal pyramids,  an edgeedge with one O(5)In3Cu tetrahedra, and  an edgeedge with one O(7)In2Cu2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Cu(1), one Cu(4), and two equivalent In(4) atoms to form OIn2Cu2 trigonal pyramids that share  a cornercorner with one O(5)In3Cu tetrahedra, corners with two equivalent O(12)In3Cu tetrahedra, corners with three equivalent O(3)In3Cu tetrahedra, corners with two equivalent O(7)In2Cu2 trigonal pyramids,  an edgeedge with one O(3)In3Cu tetrahedra, and  an edgeedge with one O(6)In2Cu2 trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent In(3) atoms. In the ninth O site, O(9) is bonded to one Cu(3), one In(3), and two equivalent In(2) atoms to form distorted OIn3Cu tetrahedra that share corners with two equivalent O(3)In3Cu tetrahedra, corners with two equivalent O(5)In3Cu tetrahedra, corners with two equivalent O(9)In3Cu tetrahedra,  a cornercorner with one O(2)In2Cu2 trigonal pyramid, corners with two equivalent O(6)In2Cu2 trigonal pyramids, corners with three equivalent O(4)In2Cu2 trigonal pyramids, and  an edgeedge with one O(4)In2Cu2 trigonal pyramid. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to four equivalent Cu(2) and two equivalent In(1) atoms. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Cu(3) and two equivalent In(2) atoms. In the twelfth O site, O(12) is bonded to one Cu(2), one In(4), and two equivalent In(1) atoms to form distorted OIn3Cu tetrahedra that share corners with two equivalent O(12)In3Cu tetrahedra, corners with two equivalent O(3)In3Cu tetrahedra, corners with two equivalent O(5)In3Cu tetrahedra,  a cornercorner with one O(4)In2Cu2 trigonal pyramid, corners with two equivalent O(7)In2Cu2 trigonal pyramids, corners with three equivalent O(2)In2Cu2 trigonal pyramids, and  an edgeedge with one O(2)In2Cu2 trigonal pyramid.