LiNaB4O7 crystallizes in the orthorhombic Fdd2 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. Li(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent B(2)O4 tetrahedra, and corners with three equivalent B(1)O4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra and corners with three equivalent Li(1)O4 tetrahedra. In the second B site, B(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra and corners with two equivalent Li(1)O4 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one B(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one B(2), and one B(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one B(2), and one B(4) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Na(1), one Li(1), one B(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(1), one B(2), and one B(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one B(1) and one B(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent B(1) atoms. In the eighth O site, O(8) is bonded in a distorted water-like geometry to two equivalent Na(1) and two equivalent B(2) atoms.
LiNaB4O7 crystallizes in the orthorhombic Fdd2 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(8) atom. The Na(1)-O(1) bond length is 2.31 Å. The Na(1)-O(3) bond length is 2.35 Å. The Na(1)-O(4) bond length is 2.42 Å. The Na(1)-O(5) bond length is 2.46 Å. The Na(1)-O(8) bond length is 2.50 Å. Li(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent B(2)O4 tetrahedra, and corners with three equivalent B(1)O4 tetrahedra. The Li(1)-O(2) bond length is 1.96 Å. The Li(1)-O(3) bond length is 2.00 Å. The Li(1)-O(4) bond length is 2.01 Å. The Li(1)-O(7) bond length is 2.29 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form BO4 tetrahedra that share  a cornercorner with one B(1)O4 tetrahedra and corners with three equivalent Li(1)O4 tetrahedra. The B(1)-O(1) bond length is 1.51 Å. The B(1)-O(4) bond length is 1.51 Å. The B(1)-O(6) bond length is 1.46 Å. The B(1)-O(7) bond length is 1.49 Å. In the second B site, B(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form BO4 tetrahedra that share  a cornercorner with one B(2)O4 tetrahedra and corners with two equivalent Li(1)O4 tetrahedra. The B(2)-O(2) bond length is 1.52 Å. The B(2)-O(3) bond length is 1.50 Å. The B(2)-O(5) bond length is 1.47 Å. The B(2)-O(8) bond length is 1.47 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(6) atom. The B(3)-O(1) bond length is 1.38 Å. The B(3)-O(4) bond length is 1.39 Å. The B(3)-O(6) bond length is 1.36 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. The B(4)-O(2) bond length is 1.39 Å. The B(4)-O(3) bond length is 1.39 Å. The B(4)-O(5) bond length is 1.36 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one B(1), and one B(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one B(2), and one B(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one Li(1), one B(2), and one B(4) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Na(1), one Li(1), one B(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Na(1), one B(2), and one B(4) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one B(1) and one B(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent B(1) atoms. In the eighth O site, O(8) is bonded in a distorted water-like geometry to two equivalent Na(1) and two equivalent B(2) atoms.