LiZn(OCl)3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(2), one Cl(11), and one Cl(5) atom. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(2), one Cl(11), and one Cl(7) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(4), one O(7), one O(9), and one Cl(7) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(4), one O(9), one Cl(11), and one Cl(4) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Cl(1), one Cl(11), one Cl(2), and one Cl(5) atom to form corner-sharing ZnCl4 tetrahedra. In the second Zn site, Zn(2) is bonded to one Cl(1), one Cl(12), one Cl(2), and one Cl(6) atom to form corner-sharing ZnCl4 tetrahedra. In the third Zn site, Zn(3) is bonded to one Cl(3), one Cl(4), one Cl(7), and one Cl(9) atom to form distorted corner-sharing ZnCl4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one Cl(10), one Cl(3), one Cl(4), and one Cl(8) atom to form corner-sharing ZnCl4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one O(11) and one O(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one O(12) atom. In the third O site, O(3) is bonded in a single-bond geometry to one O(7) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one O(8) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one O(1) and one Cl(8) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one O(12) and one Cl(6) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Li(3) and one O(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one O(10) and one O(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one Cl(9) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one O(8) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one O(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one O(2) and one O(6) atom. There are twelve inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one Zn(2) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one Zn(2) atom. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one Zn(3) and one Zn(4) atom. In the fourth Cl site, Cl(4) is bonded in a distorted T-shaped geometry to one Li(4), one Zn(3), and one Zn(4) atom. In the fifth Cl site, Cl(5) is bonded in an L-shaped geometry to one Li(1) and one Zn(1) atom. In the sixth Cl site, Cl(6) is bonded in a distorted L-shaped geometry to one Zn(2) and one O(6) atom. In the seventh Cl site, Cl(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(3), and one Zn(3) atom. In the eighth Cl site, Cl(8) is bonded in a single-bond geometry to one Zn(4) and one O(5) atom. In the ninth Cl site, Cl(9) is bonded in a distorted L-shaped geometry to one Zn(3) and one O(9) atom. In the tenth Cl site, Cl(10) is bonded in a single-bond geometry to one Zn(4) atom. In the eleventh Cl site, Cl(11) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Li(4), and one Zn(1) atom. In the twelfth Cl site, Cl(12) is bonded in a single-bond geometry to one Zn(2) atom.
LiZn(OCl)3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(2), one Cl(11), and one Cl(5) atom. The Li(1)-O(11) bond length is 2.00 Å. The Li(1)-O(2) bond length is 2.04 Å. The Li(1)-Cl(11) bond length is 2.65 Å. The Li(1)-Cl(5) bond length is 2.39 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(2), one Cl(11), and one Cl(7) atom. The Li(2)-O(11) bond length is 2.02 Å. The Li(2)-O(2) bond length is 2.05 Å. The Li(2)-Cl(11) bond length is 2.54 Å. The Li(2)-Cl(7) bond length is 2.46 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(4), one O(7), one O(9), and one Cl(7) atom. The Li(3)-O(4) bond length is 2.00 Å. The Li(3)-O(7) bond length is 2.23 Å. The Li(3)-O(9) bond length is 1.90 Å. The Li(3)-Cl(7) bond length is 2.52 Å. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(4), one O(9), one Cl(11), and one Cl(4) atom. The Li(4)-O(4) bond length is 1.99 Å. The Li(4)-O(9) bond length is 1.90 Å. The Li(4)-Cl(11) bond length is 2.71 Å. The Li(4)-Cl(4) bond length is 2.45 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Cl(1), one Cl(11), one Cl(2), and one Cl(5) atom to form corner-sharing ZnCl4 tetrahedra. The Zn(1)-Cl(1) bond length is 2.27 Å. The Zn(1)-Cl(11) bond length is 2.37 Å. The Zn(1)-Cl(2) bond length is 2.34 Å. The Zn(1)-Cl(5) bond length is 2.25 Å. In the second Zn site, Zn(2) is bonded to one Cl(1), one Cl(12), one Cl(2), and one Cl(6) atom to form corner-sharing ZnCl4 tetrahedra. The Zn(2)-Cl(1) bond length is 2.33 Å. The Zn(2)-Cl(12) bond length is 2.25 Å. The Zn(2)-Cl(2) bond length is 2.35 Å. The Zn(2)-Cl(6) bond length is 2.28 Å. In the third Zn site, Zn(3) is bonded to one Cl(3), one Cl(4), one Cl(7), and one Cl(9) atom to form distorted corner-sharing ZnCl4 tetrahedra. The Zn(3)-Cl(3) bond length is 2.23 Å. The Zn(3)-Cl(4) bond length is 2.31 Å. The Zn(3)-Cl(7) bond length is 2.29 Å. The Zn(3)-Cl(9) bond length is 2.41 Å. In the fourth Zn site, Zn(4) is bonded to one Cl(10), one Cl(3), one Cl(4), and one Cl(8) atom to form corner-sharing ZnCl4 tetrahedra. The Zn(4)-Cl(10) bond length is 2.18 Å. The Zn(4)-Cl(3) bond length is 2.37 Å. The Zn(4)-Cl(4) bond length is 2.48 Å. The Zn(4)-Cl(8) bond length is 2.25 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one O(11) and one O(5) atom. The O(1)-O(11) bond length is 1.37 Å. The O(1)-O(5) bond length is 1.27 Å. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one O(12) atom. The O(2)-O(12) bond length is 1.39 Å. In the third O site, O(3) is bonded in a single-bond geometry to one O(7) atom. The O(3)-O(7) bond length is 1.23 Å. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(3), one Li(4), and one O(8) atom. The O(4)-O(8) bond length is 1.38 Å. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one O(1) and one Cl(8) atom. The O(5)-Cl(8) bond length is 2.42 Å. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one O(12) and one Cl(6) atom. The O(6)-O(12) bond length is 1.27 Å. The O(6)-Cl(6) bond length is 2.34 Å. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Li(3) and one O(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one O(10) and one O(4) atom. The O(8)-O(10) bond length is 1.27 Å. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one Cl(9) atom. The O(9)-Cl(9) bond length is 1.66 Å. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one O(8) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one O(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one O(2) and one O(6) atom. There are twelve inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Zn(1) and one Zn(2) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Zn(1) and one Zn(2) atom. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one Zn(3) and one Zn(4) atom. In the fourth Cl site, Cl(4) is bonded in a distorted T-shaped geometry to one Li(4), one Zn(3), and one Zn(4) atom. In the fifth Cl site, Cl(5) is bonded in an L-shaped geometry to one Li(1) and one Zn(1) atom. In the sixth Cl site, Cl(6) is bonded in a distorted L-shaped geometry to one Zn(2) and one O(6) atom. In the seventh Cl site, Cl(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(3), and one Zn(3) atom. In the eighth Cl site, Cl(8) is bonded in a single-bond geometry to one Zn(4) and one O(5) atom. In the ninth Cl site, Cl(9) is bonded in a distorted L-shaped geometry to one Zn(3) and one O(9) atom. In the tenth Cl site, Cl(10) is bonded in a single-bond geometry to one Zn(4) atom. In the eleventh Cl site, Cl(11) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one Li(2), one Li(4), and one Zn(1) atom. In the twelfth Cl site, Cl(12) is bonded in a single-bond geometry to one Zn(2) atom.