Rb12Li(OCl)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one Cl(1), and one Cl(2) atom. In the second Rb site, Rb(2) is bonded in a 3-coordinate geometry to one O(2), one O(4), one Cl(3), and one Cl(4) atom. In the third Rb site, Rb(3) is bonded in a 1-coordinate geometry to one O(1), one Cl(1), and one Cl(3) atom. In the fourth Rb site, Rb(4) is bonded in a distorted square pyramidal geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. In the fifth Rb site, Rb(5) is bonded in a distorted see-saw-like geometry to one O(2), one O(4), one Cl(2), and one Cl(3) atom. In the sixth Rb site, Rb(6) is bonded in a 4-coordinate geometry to one O(3), one O(4), one Cl(1), and one Cl(2) atom. In the seventh Rb site, Rb(7) is bonded in a 2-coordinate geometry to one O(3) and one O(4) atom. In the eighth Rb site, Rb(8) is bonded in a 4-coordinate geometry to one O(1), one O(3), one Cl(2), and one Cl(3) atom. In the ninth Rb site, Rb(9) is bonded in a 4-coordinate geometry to one O(2), one O(4), one Cl(2), and one Cl(3) atom. In the tenth Rb site, Rb(10) is bonded in a 5-coordinate geometry to one Li(1), one O(1), one O(3), one Cl(1), and one Cl(2) atom. In the eleventh Rb site, Rb(11) is bonded in a distorted bent 150 degrees geometry to one O(2), one O(4), and one Cl(2) atom. In the twelfth Rb site, Rb(12) is bonded in a 4-coordinate geometry to one O(1), one O(2), one Cl(3), and one Cl(4) atom. Li(1) is bonded in a 3-coordinate geometry to one Rb(10), one O(3), one Cl(1), and one Cl(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Rb(10), one Rb(12), one Rb(3), one Rb(4), and one Rb(8) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 29-34°. In the second O site, O(2) is bonded to one Rb(1), one Rb(11), one Rb(12), one Rb(2), one Rb(5), and one Rb(9) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(10), one Rb(6), one Rb(7), one Rb(8), and one Li(1) atom. In the fourth O site, O(4) is bonded to one Rb(11), one Rb(2), one Rb(5), one Rb(6), one Rb(7), and one Rb(9) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(10), one Rb(3), one Rb(4), one Rb(6), and one Li(1) atom. In the second Cl site, Cl(2) is bonded in a 8-coordinate geometry to one Rb(1), one Rb(10), one Rb(11), one Rb(4), one Rb(5), one Rb(6), one Rb(8), and one Rb(9) atom. In the third Cl site, Cl(3) is bonded in a 7-coordinate geometry to one Rb(12), one Rb(2), one Rb(3), one Rb(4), one Rb(5), one Rb(8), and one Rb(9) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Rb(12), one Rb(2), one Rb(4), and one Li(1) atom.
Rb12Li(OCl)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one Cl(1), and one Cl(2) atom. The Rb(1)-O(1) bond length is 2.93 Å. The Rb(1)-O(2) bond length is 2.75 Å. The Rb(1)-Cl(1) bond length is 3.66 Å. The Rb(1)-Cl(2) bond length is 3.36 Å. In the second Rb site, Rb(2) is bonded in a 3-coordinate geometry to one O(2), one O(4), one Cl(3), and one Cl(4) atom. The Rb(2)-O(2) bond length is 3.03 Å. The Rb(2)-O(4) bond length is 2.84 Å. The Rb(2)-Cl(3) bond length is 3.91 Å. The Rb(2)-Cl(4) bond length is 3.65 Å. In the third Rb site, Rb(3) is bonded in a 1-coordinate geometry to one O(1), one Cl(1), and one Cl(3) atom. The Rb(3)-O(1) bond length is 2.71 Å. The Rb(3)-Cl(1) bond length is 3.34 Å. The Rb(3)-Cl(3) bond length is 3.43 Å. In the fourth Rb site, Rb(4) is bonded in a distorted square pyramidal geometry to one O(1), one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. The Rb(4)-O(1) bond length is 2.73 Å. The Rb(4)-Cl(1) bond length is 3.49 Å. The Rb(4)-Cl(2) bond length is 3.64 Å. The Rb(4)-Cl(3) bond length is 3.44 Å. The Rb(4)-Cl(4) bond length is 3.42 Å. In the fifth Rb site, Rb(5) is bonded in a distorted see-saw-like geometry to one O(2), one O(4), one Cl(2), and one Cl(3) atom. The Rb(5)-O(2) bond length is 2.90 Å. The Rb(5)-O(4) bond length is 3.07 Å. The Rb(5)-Cl(2) bond length is 3.49 Å. The Rb(5)-Cl(3) bond length is 3.63 Å. In the sixth Rb site, Rb(6) is bonded in a 4-coordinate geometry to one O(3), one O(4), one Cl(1), and one Cl(2) atom. The Rb(6)-O(3) bond length is 2.95 Å. The Rb(6)-O(4) bond length is 2.79 Å. The Rb(6)-Cl(1) bond length is 3.38 Å. The Rb(6)-Cl(2) bond length is 3.61 Å. In the seventh Rb site, Rb(7) is bonded in a 2-coordinate geometry to one O(3) and one O(4) atom. The Rb(7)-O(3) bond length is 2.79 Å. The Rb(7)-O(4) bond length is 2.83 Å. In the eighth Rb site, Rb(8) is bonded in a 4-coordinate geometry to one O(1), one O(3), one Cl(2), and one Cl(3) atom. The Rb(8)-O(1) bond length is 2.80 Å. The Rb(8)-O(3) bond length is 2.72 Å. The Rb(8)-Cl(2) bond length is 3.38 Å. The Rb(8)-Cl(3) bond length is 3.50 Å. In the ninth Rb site, Rb(9) is bonded in a 4-coordinate geometry to one O(2), one O(4), one Cl(2), and one Cl(3) atom. The Rb(9)-O(2) bond length is 2.89 Å. The Rb(9)-O(4) bond length is 2.91 Å. The Rb(9)-Cl(2) bond length is 3.75 Å. The Rb(9)-Cl(3) bond length is 3.72 Å. In the tenth Rb site, Rb(10) is bonded in a 5-coordinate geometry to one Li(1), one O(1), one O(3), one Cl(1), and one Cl(2) atom. The Rb(10)-Li(1) bond length is 2.79 Å. The Rb(10)-O(1) bond length is 2.74 Å. The Rb(10)-O(3) bond length is 2.86 Å. The Rb(10)-Cl(1) bond length is 3.31 Å. The Rb(10)-Cl(2) bond length is 3.22 Å. In the eleventh Rb site, Rb(11) is bonded in a distorted bent 150 degrees geometry to one O(2), one O(4), and one Cl(2) atom. The Rb(11)-O(2) bond length is 2.93 Å. The Rb(11)-O(4) bond length is 2.87 Å. The Rb(11)-Cl(2) bond length is 3.74 Å. In the twelfth Rb site, Rb(12) is bonded in a 4-coordinate geometry to one O(1), one O(2), one Cl(3), and one Cl(4) atom. The Rb(12)-O(1) bond length is 2.93 Å. The Rb(12)-O(2) bond length is 2.77 Å. The Rb(12)-Cl(3) bond length is 3.44 Å. The Rb(12)-Cl(4) bond length is 3.57 Å. Li(1) is bonded in a 3-coordinate geometry to one Rb(10), one O(3), one Cl(1), and one Cl(4) atom. The Li(1)-O(3) bond length is 1.79 Å. The Li(1)-Cl(1) bond length is 2.45 Å. The Li(1)-Cl(4) bond length is 2.43 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Rb(1), one Rb(10), one Rb(12), one Rb(3), one Rb(4), and one Rb(8) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 29-34°. In the second O site, O(2) is bonded to one Rb(1), one Rb(11), one Rb(12), one Rb(2), one Rb(5), and one Rb(9) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(10), one Rb(6), one Rb(7), one Rb(8), and one Li(1) atom. In the fourth O site, O(4) is bonded to one Rb(11), one Rb(2), one Rb(5), one Rb(6), one Rb(7), and one Rb(9) atom to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to one Rb(1), one Rb(10), one Rb(3), one Rb(4), one Rb(6), and one Li(1) atom. In the second Cl site, Cl(2) is bonded in a 8-coordinate geometry to one Rb(1), one Rb(10), one Rb(11), one Rb(4), one Rb(5), one Rb(6), one Rb(8), and one Rb(9) atom. In the third Cl site, Cl(3) is bonded in a 7-coordinate geometry to one Rb(12), one Rb(2), one Rb(3), one Rb(4), one Rb(5), one Rb(8), and one Rb(9) atom. In the fourth Cl site, Cl(4) is bonded in a distorted single-bond geometry to one Rb(12), one Rb(2), one Rb(4), and one Li(1) atom.