LiMn4(BO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted single-bond geometry to one O(10), one O(12), one O(7), and one O(9) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted T-shaped geometry to one O(11), one O(3), one O(4), and one O(8) atom. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one O(12), one O(5), one O(7), and one O(9) atom. In the third Mn site, Mn(3) is bonded in a distorted T-shaped geometry to one O(1), one O(12), one O(4), and one O(6) atom. In the fourth Mn site, Mn(4) is bonded in a 3-coordinate geometry to one O(10), one O(2), one O(5), and one O(9) atom. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. In the second B site, B(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(5) atom. In the third B site, B(3) is bonded in a 3-coordinate geometry to one O(10), one O(11), and one O(8) atom. In the fourth B site, B(4) is bonded in a 3-coordinate geometry to one O(12), 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 distorted bent 120 degrees geometry to one Mn(3) and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one B(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one B(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(3) and one B(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one B(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Mn(1) and one B(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(4), and one B(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Mn(4), and one B(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one B(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(3), and one B(4) atom.
LiMn4(BO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted single-bond geometry to one O(10), one O(12), one O(7), and one O(9) atom. The Li(1)-O(10) bond length is 2.55 Å. The Li(1)-O(12) bond length is 2.42 Å. The Li(1)-O(7) bond length is 1.44 Å. The Li(1)-O(9) bond length is 2.12 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted T-shaped geometry to one O(11), one O(3), one O(4), and one O(8) atom. The Mn(1)-O(11) bond length is 1.72 Å. The Mn(1)-O(3) bond length is 1.86 Å. The Mn(1)-O(4) bond length is 2.36 Å. The Mn(1)-O(8) bond length is 1.74 Å. In the second Mn site, Mn(2) is bonded in a 3-coordinate geometry to one O(12), one O(5), one O(7), and one O(9) atom. The Mn(2)-O(12) bond length is 1.92 Å. The Mn(2)-O(5) bond length is 2.45 Å. The Mn(2)-O(7) bond length is 2.02 Å. The Mn(2)-O(9) bond length is 1.89 Å. In the third Mn site, Mn(3) is bonded in a distorted T-shaped geometry to one O(1), one O(12), one O(4), and one O(6) atom. The Mn(3)-O(1) bond length is 1.71 Å. The Mn(3)-O(12) bond length is 2.64 Å. The Mn(3)-O(4) bond length is 1.72 Å. The Mn(3)-O(6) bond length is 1.87 Å. In the fourth Mn site, Mn(4) is bonded in a 3-coordinate geometry to one O(10), one O(2), one O(5), and one O(9) atom. The Mn(4)-O(10) bond length is 1.94 Å. The Mn(4)-O(2) bond length is 1.72 Å. The Mn(4)-O(5) bond length is 1.70 Å. The Mn(4)-O(9) bond length is 2.42 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 3-coordinate geometry to one O(1), one O(4), and one O(7) atom. The B(1)-O(1) bond length is 1.31 Å. The B(1)-O(4) bond length is 1.94 Å. The B(1)-O(7) bond length is 1.47 Å. In the second B site, B(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(5) atom. The B(2)-O(2) bond length is 1.32 Å. The B(2)-O(3) bond length is 1.53 Å. The B(2)-O(5) bond length is 1.91 Å. In the third B site, B(3) is bonded in a 3-coordinate geometry to one O(10), one O(11), and one O(8) atom. The B(3)-O(10) bond length is 1.55 Å. The B(3)-O(11) bond length is 1.30 Å. The B(3)-O(8) bond length is 1.90 Å. In the fourth B site, B(4) is bonded in a 3-coordinate geometry to one O(12), one O(6), and one O(9) atom. The B(4)-O(12) bond length is 1.37 Å. The B(4)-O(6) bond length is 1.54 Å. The B(4)-O(9) bond length is 1.92 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one B(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(1) and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one B(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one B(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(3) and one B(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one B(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Mn(1) and one B(3) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(4), and one B(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one Mn(4), and one B(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one B(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), one Mn(3), and one B(4) atom.