TiCu3(PO4)4 crystallizes in the monoclinic Pm space group. Ti(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted TiO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(4), and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a see-saw-like geometry to one O(3), one O(7), and two equivalent O(5) atoms. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(6), and two equivalent O(8) atoms. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 pentagonal pyramid. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 pentagonal pyramid and  an edgeedge with one Ti(1)O6 pentagonal pyramid. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(4), one O(7), and two equivalent O(8) atoms. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 pentagonal pyramids. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom.
TiCu3(PO4)4 crystallizes in the monoclinic Pm space group. Ti(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted TiO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The Ti(1)-O(1) bond length is 1.88 Å. The Ti(1)-O(9) bond length is 1.95 Å. Both Ti(1)-O(11) bond lengths are 1.97 Å. Both Ti(1)-O(5) bond lengths are 2.12 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(4), and two equivalent O(2) atoms. The Cu(1)-O(12) bond length is 1.86 Å. The Cu(1)-O(4) bond length is 1.87 Å. Both Cu(1)-O(2) bond lengths are 1.88 Å. In the second Cu site, Cu(2) is bonded in a see-saw-like geometry to one O(3), one O(7), and two equivalent O(5) atoms. The Cu(2)-O(3) bond length is 1.87 Å. The Cu(2)-O(7) bond length is 1.87 Å. Both Cu(2)-O(5) bond lengths are 2.02 Å. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(6), and two equivalent O(8) atoms. The Cu(3)-O(10) bond length is 1.88 Å. The Cu(3)-O(6) bond length is 1.87 Å. Both Cu(3)-O(8) bond lengths are 1.88 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 pentagonal pyramid. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(10) bond length is 1.54 Å. Both P(1)-O(2) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 pentagonal pyramid and  an edgeedge with one Ti(1)O6 pentagonal pyramid. The P(2)-O(6) bond length is 1.52 Å. The P(2)-O(9) bond length is 1.53 Å. Both P(2)-O(5) bond lengths are 1.58 Å. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(4), one O(7), and two equivalent O(8) atoms. The P(3)-O(4) bond length is 1.55 Å. The P(3)-O(7) bond length is 1.54 Å. Both P(3)-O(8) bond lengths are 1.56 Å. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 pentagonal pyramids. The P(4)-O(12) bond length is 1.55 Å. The P(4)-O(3) bond length is 1.54 Å. Both P(4)-O(11) bond lengths are 1.57 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cu(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(4) atom.