Li6Rb5B11O22 crystallizes in the monoclinic C2 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(3), one O(4), and one O(8) atom. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(8) atom. In the third Rb site, Rb(3) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(12), two equivalent O(2), two equivalent O(4), and two equivalent O(9) atoms. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(11), one O(3), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(2), and one O(3) atom. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(12) atoms. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. In the second B site, B(2) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(10), one O(2), one O(5), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(3), one O(7), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(8) atoms. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(3), one Li(2), one Li(3), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Rb(3), one Li(2), one Li(3), one B(3), and one B(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), one Li(1), one Li(2), and one B(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(3), one Li(3), one B(1), and one B(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Rb(2), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Rb(2), two equivalent Li(1), and one B(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Rb(2), one B(2), and one B(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Rb(2), one B(2), and one B(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Rb(3), one B(3), and one B(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one B(2), and one B(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent B(2) atoms. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), two equivalent Li(3), and one B(6) atom.
Li6Rb5B11O22 crystallizes in the monoclinic C2 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(3), one O(4), and one O(8) atom. The Rb(1)-O(1) bond length is 3.16 Å. The Rb(1)-O(12) bond length is 2.93 Å. The Rb(1)-O(3) bond length is 2.99 Å. The Rb(1)-O(4) bond length is 3.17 Å. The Rb(1)-O(8) bond length is 2.83 Å. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The Rb(2)-O(3) bond length is 3.14 Å. The Rb(2)-O(5) bond length is 2.82 Å. The Rb(2)-O(6) bond length is 2.99 Å. The Rb(2)-O(7) bond length is 2.72 Å. The Rb(2)-O(8) bond length is 3.30 Å. In the third Rb site, Rb(3) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(12), two equivalent O(2), two equivalent O(4), and two equivalent O(9) atoms. Both Rb(3)-O(1) bond lengths are 3.27 Å. Both Rb(3)-O(12) bond lengths are 2.98 Å. Both Rb(3)-O(2) bond lengths are 3.42 Å. Both Rb(3)-O(4) bond lengths are 3.40 Å. Both Rb(3)-O(9) bond lengths are 3.16 Å. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(11), one O(3), and one O(6) atom. The Li(1)-O(10) bond length is 2.07 Å. The Li(1)-O(11) bond length is 2.14 Å. The Li(1)-O(3) bond length is 1.93 Å. The Li(1)-O(6) bond length is 1.94 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(2), and one O(3) atom. The Li(2)-O(1) bond length is 1.90 Å. The Li(2)-O(10) bond length is 2.03 Å. The Li(2)-O(2) bond length is 2.05 Å. The Li(2)-O(3) bond length is 1.87 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(12) atoms. The Li(3)-O(1) bond length is 1.97 Å. The Li(3)-O(2) bond length is 2.22 Å. The Li(3)-O(4) bond length is 2.22 Å. There is one shorter (2.00 Å) and one longer (2.05 Å) Li(3)-O(12) bond length. There are six inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. The B(1)-O(1) bond length is 1.34 Å. The B(1)-O(4) bond length is 1.44 Å. The B(1)-O(5) bond length is 1.39 Å. In the second B site, B(2) is bonded to one O(10), one O(11), one O(7), and one O(8) atom to form corner-sharing BO4 tetrahedra. The B(2)-O(10) bond length is 1.49 Å. The B(2)-O(11) bond length is 1.49 Å. The B(2)-O(7) bond length is 1.49 Å. The B(2)-O(8) bond length is 1.50 Å. In the third B site, B(3) is bonded to one O(10), one O(2), one O(5), and one O(9) atom to form corner-sharing BO4 tetrahedra. The B(3)-O(10) bond length is 1.48 Å. The B(3)-O(2) bond length is 1.51 Å. The B(3)-O(5) bond length is 1.50 Å. The B(3)-O(9) bond length is 1.47 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(3), one O(7), and one O(9) atom. The B(4)-O(3) bond length is 1.35 Å. The B(4)-O(7) bond length is 1.40 Å. The B(4)-O(9) bond length is 1.41 Å. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(8) atoms. The B(5)-O(6) bond length is 1.35 Å. Both B(5)-O(8) bond lengths are 1.41 Å. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(4) atom. The B(6)-O(12) bond length is 1.34 Å. The B(6)-O(2) bond length is 1.40 Å. The B(6)-O(4) bond length is 1.42 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(3), one Li(2), one Li(3), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Rb(3), one Li(2), one Li(3), one B(3), and one B(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), one Li(1), one Li(2), and one B(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(3), one Li(3), one B(1), and one B(6) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Rb(2), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Rb(2), two equivalent Li(1), and one B(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Rb(2), one B(2), and one B(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Rb(1), one Rb(2), one B(2), and one B(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Rb(3), one B(3), and one B(4) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one B(2), and one B(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent B(2) atoms. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), two equivalent Li(3), and one B(6) atom.