Li5Bi2(BO3)4 crystallizes in the monoclinic Pc space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form distorted corner-sharing LiO4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(3), and one O(5) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. In the third Li site, Li(3) is bonded to one O(4), one O(6), one O(7), and one O(9) atom to form distorted corner-sharing LiO4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(12), and one O(3) atom to form a mixture of corner and edge-sharing LiO4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(2), and one O(3) atom to form a mixture of corner and edge-sharing LiO4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(7) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(6), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one B(2), and one Bi(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one B(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Li(5), one B(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one B(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one B(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(3), one B(3), one Bi(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one B(4), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Li(3), one B(3), one Bi(1), and one Bi(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), one B(4), one Bi(1), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one B(3), and one Bi(2) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Li(4), one B(4), one Bi(1), and one Bi(2) atom.
Li5Bi2(BO3)4 crystallizes in the monoclinic Pc space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form distorted corner-sharing LiO4 tetrahedra. The Li(1)-O(2) bond length is 2.05 Å. The Li(1)-O(4) bond length is 2.00 Å. The Li(1)-O(7) bond length is 2.00 Å. The Li(1)-O(8) bond length is 1.99 Å. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(3), and one O(5) atom to form a mixture of distorted corner and edge-sharing LiO4 tetrahedra. The Li(2)-O(1) bond length is 2.03 Å. The Li(2)-O(11) bond length is 2.02 Å. The Li(2)-O(3) bond length is 2.09 Å. The Li(2)-O(5) bond length is 1.88 Å. In the third Li site, Li(3) is bonded to one O(4), one O(6), one O(7), and one O(9) atom to form distorted corner-sharing LiO4 tetrahedra. The Li(3)-O(4) bond length is 1.99 Å. The Li(3)-O(6) bond length is 1.99 Å. The Li(3)-O(7) bond length is 1.98 Å. The Li(3)-O(9) bond length is 1.89 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(11), one O(12), and one O(3) atom to form a mixture of corner and edge-sharing LiO4 tetrahedra. The Li(4)-O(10) bond length is 1.95 Å. The Li(4)-O(11) bond length is 1.93 Å. The Li(4)-O(12) bond length is 1.92 Å. The Li(4)-O(3) bond length is 2.02 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(2), and one O(3) atom to form a mixture of corner and edge-sharing LiO4 tetrahedra. The Li(5)-O(1) bond length is 1.97 Å. The Li(5)-O(10) bond length is 1.96 Å. The Li(5)-O(2) bond length is 2.02 Å. The Li(5)-O(3) bond length is 2.16 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(8) atom. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(3) bond length is 1.41 Å. The B(1)-O(8) bond length is 1.37 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. The B(2)-O(1) bond length is 1.39 Å. The B(2)-O(4) bond length is 1.40 Å. The B(2)-O(5) bond length is 1.37 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(9) atom. The B(3)-O(11) bond length is 1.39 Å. The B(3)-O(6) bond length is 1.39 Å. The B(3)-O(9) bond length is 1.38 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(7) atom. The B(4)-O(10) bond length is 1.39 Å. The B(4)-O(12) bond length is 1.39 Å. The B(4)-O(7) bond length is 1.38 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Bi(1)-O(10) bond length is 2.76 Å. The Bi(1)-O(12) bond length is 2.51 Å. The Bi(1)-O(4) bond length is 2.37 Å. The Bi(1)-O(5) bond length is 2.27 Å. The Bi(1)-O(6) bond length is 2.52 Å. The Bi(1)-O(7) bond length is 2.40 Å. The Bi(1)-O(8) bond length is 2.27 Å. The Bi(1)-O(9) bond length is 2.68 Å. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(6), and one O(9) atom. The Bi(2)-O(1) bond length is 2.34 Å. The Bi(2)-O(10) bond length is 2.67 Å. The Bi(2)-O(11) bond length is 2.44 Å. The Bi(2)-O(12) bond length is 2.52 Å. The Bi(2)-O(2) bond length is 2.38 Å. The Bi(2)-O(3) bond length is 2.54 Å. The Bi(2)-O(6) bond length is 2.47 Å. The Bi(2)-O(9) bond length is 2.49 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one B(2), and one Bi(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one B(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Li(5), one B(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one B(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one B(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(3), one B(3), one Bi(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one B(4), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Li(3), one B(3), one Bi(1), and one Bi(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Li(5), one B(4), one Bi(1), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one B(3), and one Bi(2) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Li(4), one B(4), one Bi(1), and one Bi(2) atom.