TlIn(MoO4)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form MoO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-43°. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MoO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. Tl(1) is bonded in a single-bond geometry to one O(3) atom. In(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form InO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(2)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(2) and one In(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(2) and one In(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Mo(2) and one Tl(1) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one In(1) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one In(1) atom.
TlIn(MoO4)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form MoO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-43°. The Mo(1)-O(4) bond length is 1.79 Å. The Mo(1)-O(6) bond length is 1.75 Å. Both Mo(1)-O(5) bond lengths are 1.83 Å. In the second Mo site, Mo(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form MoO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. The Mo(2)-O(2) bond length is 1.83 Å. The Mo(2)-O(3) bond length is 1.74 Å. Both Mo(2)-O(1) bond lengths are 1.82 Å. Tl(1) is bonded in a single-bond geometry to one O(3) atom. The Tl(1)-O(3) bond length is 2.72 Å. In(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form InO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(2)O4 tetrahedra. The In(1)-O(2) bond length is 2.16 Å. The In(1)-O(4) bond length is 2.16 Å. Both In(1)-O(1) bond lengths are 2.18 Å. Both In(1)-O(5) bond lengths are 2.19 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Mo(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(2) and one In(1) atom. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(2) and one In(1) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Mo(2) and one Tl(1) atom. In the fifth O site, O(4) is bonded in a bent 150 degrees geometry to one Mo(1) and one In(1) atom. In the sixth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one In(1) atom.