La5Mo4O16 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third La site, La(3) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 34°. In the second Mo site, Mo(2) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. In the third Mo site, Mo(3) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(2), one Mo(1), and one Mo(3) atom to form distorted OLa2Mo2 tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra, corners with three equivalent O(6)La3Mo tetrahedra,  an edgeedge with one O(4)La3Mo tetrahedra, and  an edgeedge with one O(5)La3Mo tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(3) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one Mo(2) atom. In the fourth O site, O(4) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form distorted OLa3Mo tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with five equivalent O(5)La3Mo tetrahedra,  an edgeedge with one O(1)La2Mo2 tetrahedra, and edges with two equivalent O(6)La3Mo tetrahedra. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form distorted OLa3Mo tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with five equivalent O(4)La3Mo tetrahedra,  an edgeedge with one O(1)La2Mo2 tetrahedra, and edges with two equivalent O(6)La3Mo tetrahedra. In the sixth O site, O(6) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form OLa3Mo tetrahedra that share  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with three equivalent O(1)La2Mo2 tetrahedra, edges with two equivalent O(4)La3Mo tetrahedra, and edges with two equivalent O(5)La3Mo tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent La(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one Mo(2), and one Mo(3) atom.
La5Mo4O16 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms. The La(1)-O(1) bond length is 2.45 Å. The La(1)-O(3) bond length is 2.53 Å. The La(1)-O(4) bond length is 2.63 Å. The La(1)-O(5) bond length is 2.60 Å. The La(1)-O(6) bond length is 2.41 Å. There is one shorter (2.62 Å) and one longer (2.65 Å) La(1)-O(7) bond length. In the second La site, La(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. The La(2)-O(1) bond length is 2.43 Å. The La(2)-O(3) bond length is 2.47 Å. The La(2)-O(4) bond length is 2.51 Å. The La(2)-O(5) bond length is 2.54 Å. The La(2)-O(6) bond length is 2.43 Å. The La(2)-O(8) bond length is 2.42 Å. In the third La site, La(3) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both La(3)-O(2) bond lengths are 2.65 Å. Both La(3)-O(4) bond lengths are 2.62 Å. Both La(3)-O(5) bond lengths are 2.61 Å. Both La(3)-O(6) bond lengths are 2.41 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 34°. The Mo(1)-O(1) bond length is 2.20 Å. The Mo(1)-O(4) bond length is 1.97 Å. The Mo(1)-O(5) bond length is 1.97 Å. The Mo(1)-O(6) bond length is 2.03 Å. There is one shorter (2.00 Å) and one longer (2.09 Å) Mo(1)-O(2) bond length. In the second Mo site, Mo(2) is bonded to two equivalent O(3), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. Both Mo(2)-O(3) bond lengths are 1.91 Å. Both Mo(2)-O(7) bond lengths are 2.04 Å. Both Mo(2)-O(8) bond lengths are 2.08 Å. In the third Mo site, Mo(3) is bonded to two equivalent O(1), two equivalent O(7), and two equivalent O(8) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. Both Mo(3)-O(1) bond lengths are 2.14 Å. Both Mo(3)-O(7) bond lengths are 2.13 Å. Both Mo(3)-O(8) bond lengths are 2.18 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one La(1), one La(2), one Mo(1), and one Mo(3) atom to form distorted OLa2Mo2 tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra, corners with three equivalent O(6)La3Mo tetrahedra,  an edgeedge with one O(4)La3Mo tetrahedra, and  an edgeedge with one O(5)La3Mo tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(3) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one Mo(2) atom. In the fourth O site, O(4) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form distorted OLa3Mo tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with five equivalent O(5)La3Mo tetrahedra,  an edgeedge with one O(1)La2Mo2 tetrahedra, and edges with two equivalent O(6)La3Mo tetrahedra. In the fifth O site, O(5) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form distorted OLa3Mo tetrahedra that share  a cornercorner with one O(1)La2Mo2 tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with five equivalent O(4)La3Mo tetrahedra,  an edgeedge with one O(1)La2Mo2 tetrahedra, and edges with two equivalent O(6)La3Mo tetrahedra. In the sixth O site, O(6) is bonded to one La(1), one La(2), one La(3), and one Mo(1) atom to form OLa3Mo tetrahedra that share  a cornercorner with one O(4)La3Mo tetrahedra,  a cornercorner with one O(5)La3Mo tetrahedra,  a cornercorner with one O(6)La3Mo tetrahedra, corners with three equivalent O(1)La2Mo2 tetrahedra, edges with two equivalent O(4)La3Mo tetrahedra, and edges with two equivalent O(5)La3Mo tetrahedra. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent La(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(2), one Mo(2), and one Mo(3) atom.