Li2U3(PO5)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), one O(7), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one U(2)O6 octahedra. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(6), one O(8), one O(9), and two equivalent O(2) atoms. In the second U site, U(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form UO6 octahedra that share corners with four equivalent P(2)O4 tetrahedra and edges with two equivalent Li(1)O5 square pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O5 square pyramid and  a cornercorner with one P(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(10), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent U(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-45°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one U(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent U(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one U(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(1) and one U(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one U(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one U(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one U(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one U(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Li(1), one U(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom.
Li2U3(PO5)4 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(4), one O(7), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one U(2)O6 octahedra. The Li(1)-O(1) bond length is 2.19 Å. The Li(1)-O(3) bond length is 2.24 Å. The Li(1)-O(4) bond length is 2.09 Å. The Li(1)-O(7) bond length is 2.45 Å. The Li(1)-O(9) bond length is 1.93 Å. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 7-coordinate geometry to one O(1), one O(4), one O(6), one O(8), one O(9), and two equivalent O(2) atoms. The U(1)-O(1) bond length is 2.41 Å. The U(1)-O(4) bond length is 1.82 Å. The U(1)-O(6) bond length is 1.79 Å. The U(1)-O(8) bond length is 2.28 Å. The U(1)-O(9) bond length is 2.44 Å. There is one shorter (2.40 Å) and one longer (2.63 Å) U(1)-O(2) bond length. In the second U site, U(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form UO6 octahedra that share corners with four equivalent P(2)O4 tetrahedra and edges with two equivalent Li(1)O5 square pyramids. Both U(2)-O(3) bond lengths are 1.82 Å. Both U(2)-O(5) bond lengths are 2.31 Å. Both U(2)-O(7) bond lengths are 2.31 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O5 square pyramid and  a cornercorner with one P(2)O4 tetrahedra. The P(1)-O(10) bond length is 1.61 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(8) bond length is 1.51 Å. The P(1)-O(9) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(1), one O(10), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent U(2)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-45°. The P(2)-O(1) bond length is 1.53 Å. The P(2)-O(10) bond length is 1.61 Å. The P(2)-O(5) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.54 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one U(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent U(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Li(1) and one U(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(1) and one U(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one U(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one U(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one U(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one U(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one Li(1), one U(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom.