Li2La3Ti2Nb2O13 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to two equivalent O(7) and two equivalent O(8) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(12), two equivalent O(13), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(3)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. In the second La site, La(2) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. In the third La site, La(3) is bonded to two equivalent O(10), two equivalent O(12), two equivalent O(13), two equivalent O(9), and four equivalent O(11) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent La(3)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ti site, Ti(2) is bonded to one O(1), one O(11), two equivalent O(12), and two equivalent O(13) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(4), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. In the second Nb site, Nb(2) is bonded to one O(11), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, and faces with four equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent La(2), one Ti(1), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent La(2), and two equivalent Nb(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent La(2) and two equivalent Nb(1) atoms. In the seventh O site, O(7) is bonded to two equivalent Li(1), two equivalent Li(2), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OLi4Nb trigonal bipyramids. In the eighth O site, O(8) is bonded to two equivalent Li(1), two equivalent Li(2), and one Nb(2) atom to form a mixture of distorted edge and corner-sharing OLi4Nb trigonal bipyramids. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to two equivalent La(3) and two equivalent Nb(2) atoms. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to two equivalent La(3) and two equivalent Nb(2) atoms. In the eleventh O site, O(11) is bonded in a distorted linear geometry to four equivalent La(3), one Ti(2), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(3), and two equivalent Ti(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(3), and two equivalent Ti(2) atoms.
Li2La3Ti2Nb2O13 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(5), two equivalent O(7), and two equivalent O(8) atoms. The Li(1)-O(5) bond length is 2.66 Å. Both Li(1)-O(7) bond lengths are 2.06 Å. Both Li(1)-O(8) bond lengths are 2.06 Å. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to two equivalent O(7) and two equivalent O(8) atoms. Both Li(2)-O(7) bond lengths are 2.06 Å. There is one shorter (2.04 Å) and one longer (2.08 Å) Li(2)-O(8) bond length. There are three inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(12), two equivalent O(13), two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra,  a faceface with one La(2)O12 cuboctahedra,  a faceface with one La(3)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ti(2)O6 octahedra. There is one shorter (2.78 Å) and one longer (2.83 Å) La(1)-O(12) bond length. Both La(1)-O(13) bond lengths are 2.79 Å. Both La(1)-O(2) bond lengths are 2.78 Å. There is one shorter (2.77 Å) and one longer (2.84 Å) La(1)-O(3) bond length. There are two shorter (2.79 Å) and two longer (2.88 Å) La(1)-O(1) bond lengths. In the second La site, La(2) is bonded to two equivalent O(2), two equivalent O(3), two equivalent O(5), two equivalent O(6), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(2)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. Both La(2)-O(2) bond lengths are 2.90 Å. There is one shorter (2.84 Å) and one longer (2.92 Å) La(2)-O(3) bond length. Both La(2)-O(5) bond lengths are 2.65 Å. There is one shorter (2.61 Å) and one longer (2.65 Å) La(2)-O(6) bond length. There are two shorter (2.80 Å) and two longer (2.88 Å) La(2)-O(4) bond lengths. In the third La site, La(3) is bonded to two equivalent O(10), two equivalent O(12), two equivalent O(13), two equivalent O(9), and four equivalent O(11) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with four equivalent La(3)O12 cuboctahedra,  a faceface with one La(1)O12 cuboctahedra, faces with four equivalent La(3)O12 cuboctahedra, faces with four equivalent Ti(2)O6 octahedra, and faces with four equivalent Nb(2)O6 octahedra. Both La(3)-O(10) bond lengths are 2.64 Å. There is one shorter (2.88 Å) and one longer (2.90 Å) La(3)-O(12) bond length. Both La(3)-O(13) bond lengths are 2.91 Å. There is one shorter (2.64 Å) and one longer (2.65 Å) La(3)-O(9) bond length. There are two shorter (2.83 Å) and two longer (2.85 Å) La(3)-O(11) bond lengths. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Nb(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Ti(1)-O(1) bond length is 1.96 Å. The Ti(1)-O(4) bond length is 1.96 Å. There is one shorter (2.00 Å) and one longer (2.01 Å) Ti(1)-O(2) bond length. Both Ti(1)-O(3) bond lengths are 2.01 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(11), two equivalent O(12), and two equivalent O(13) atoms to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Ti(2)-O(1) bond length is 1.96 Å. The Ti(2)-O(11) bond length is 1.97 Å. Both Ti(2)-O(12) bond lengths are 2.01 Å. Both Ti(2)-O(13) bond lengths are 2.01 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(4), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. The Nb(1)-O(4) bond length is 2.12 Å. The Nb(1)-O(7) bond length is 1.91 Å. There is one shorter (2.02 Å) and one longer (2.03 Å) Nb(1)-O(5) bond length. Both Nb(1)-O(6) bond lengths are 2.03 Å. In the second Nb site, Nb(2) is bonded to one O(11), one O(8), two equivalent O(10), and two equivalent O(9) atoms to form NbO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with four equivalent Nb(2)O6 octahedra, and faces with four equivalent La(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-17°. The Nb(2)-O(11) bond length is 2.13 Å. The Nb(2)-O(8) bond length is 1.91 Å. Both Nb(2)-O(10) bond lengths are 2.03 Å. Both Nb(2)-O(9) bond lengths are 2.03 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent La(1), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Ti(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent La(2), one Ti(1), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), two equivalent La(2), and two equivalent Nb(1) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent La(2) and two equivalent Nb(1) atoms. In the seventh O site, O(7) is bonded to two equivalent Li(1), two equivalent Li(2), and one Nb(1) atom to form a mixture of distorted edge and corner-sharing OLi4Nb trigonal bipyramids. In the eighth O site, O(8) is bonded to two equivalent Li(1), two equivalent Li(2), and one Nb(2) atom to form a mixture of distorted edge and corner-sharing OLi4Nb trigonal bipyramids. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to two equivalent La(3) and two equivalent Nb(2) atoms. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to two equivalent La(3) and two equivalent Nb(2) atoms. In the eleventh O site, O(11) is bonded in a distorted linear geometry to four equivalent La(3), one Ti(2), and one Nb(2) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(3), and two equivalent Ti(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(3), and two equivalent Ti(2) atoms.