RbMgH12(O2Cl)3 crystallizes in the triclinic P1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one Cl(5), one Cl(6), two equivalent Cl(1), and two equivalent Cl(2) atoms to form corner-sharing RbCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second Rb site, Rb(2) is bonded to one Cl(5), one Cl(6), two equivalent Cl(3), and two equivalent Cl(4) atoms to form corner-sharing RbCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an octahedral geometry to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom. In the second Mg site, Mg(2) is bonded in an octahedral geometry to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom. There are twenty-four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(4) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(6) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(3) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(4) and one Cl(2) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(5) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(6) and one Cl(2) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(9) and one Cl(2) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(8) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(7) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(10) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(10) atom. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one O(7) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one O(9) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(8) atom. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one O(12) atom. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one O(11) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one O(12) atom. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one O(11) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(2), one H(1), and one H(4) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Mg(1), one H(2), and one H(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(2), one H(5), and one H(9) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(10), and one H(7) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Mg(2), one H(11), and one H(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(12), and one H(8) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Mg(2), one H(15), and one H(18) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(14), and one H(20) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(2), one H(13), and one H(19) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(16), and one H(17) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mg(2), one H(22), and one H(24) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(21), and one H(23) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to two equivalent Rb(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one H(10), one H(12), and one H(13) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to two equivalent Rb(2) atoms. In the fourth Cl site, Cl(4) is bonded in a 1-coordinate geometry to two equivalent Rb(2) atoms. In the fifth Cl site, Cl(5) is bonded in a 5-coordinate geometry to one Rb(1) and one Rb(2) atom. In the sixth Cl site, Cl(6) is bonded in a 5-coordinate geometry to one Rb(1) and one Rb(2) atom.
RbMgH12(O2Cl)3 crystallizes in the triclinic P1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one Cl(5), one Cl(6), two equivalent Cl(1), and two equivalent Cl(2) atoms to form corner-sharing RbCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. The Rb(1)-Cl(5) bond length is 3.35 Å. The Rb(1)-Cl(6) bond length is 3.37 Å. There is one shorter (3.27 Å) and one longer (3.37 Å) Rb(1)-Cl(1) bond length. There is one shorter (3.27 Å) and one longer (3.47 Å) Rb(1)-Cl(2) bond length. In the second Rb site, Rb(2) is bonded to one Cl(5), one Cl(6), two equivalent Cl(3), and two equivalent Cl(4) atoms to form corner-sharing RbCl6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. The Rb(2)-Cl(5) bond length is 3.33 Å. The Rb(2)-Cl(6) bond length is 3.48 Å. There is one shorter (3.33 Å) and one longer (3.40 Å) Rb(2)-Cl(3) bond length. There is one shorter (3.27 Å) and one longer (3.36 Å) Rb(2)-Cl(4) bond length. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in an octahedral geometry to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom. The Mg(1)-O(10) bond length is 2.09 Å. The Mg(1)-O(12) bond length is 2.10 Å. The Mg(1)-O(2) bond length is 2.10 Å. The Mg(1)-O(4) bond length is 2.05 Å. The Mg(1)-O(6) bond length is 2.06 Å. The Mg(1)-O(8) bond length is 2.10 Å. In the second Mg site, Mg(2) is bonded in an octahedral geometry to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom. The Mg(2)-O(1) bond length is 2.08 Å. The Mg(2)-O(11) bond length is 2.09 Å. The Mg(2)-O(3) bond length is 2.10 Å. The Mg(2)-O(5) bond length is 2.11 Å. The Mg(2)-O(7) bond length is 2.15 Å. The Mg(2)-O(9) bond length is 2.07 Å. There are twenty-four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.99 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(2) atom. The H(3)-O(2) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) atom. The H(4)-O(1) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(3) atom. The H(5)-O(3) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(5) atom. The H(6)-O(5) bond length is 0.98 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(4) atom. The H(7)-O(4) bond length is 0.98 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(6) atom. The H(8)-O(6) bond length is 0.99 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(3) atom. The H(9)-O(3) bond length is 0.99 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(4) and one Cl(2) atom. The H(10)-O(4) bond length is 1.00 Å. The H(10)-Cl(2) bond length is 2.06 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(5) atom. The H(11)-O(5) bond length is 0.98 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(6) and one Cl(2) atom. The H(12)-O(6) bond length is 0.99 Å. The H(12)-Cl(2) bond length is 2.05 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(9) and one Cl(2) atom. The H(13)-O(9) bond length is 0.99 Å. The H(13)-Cl(2) bond length is 2.09 Å. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(8) atom. The H(14)-O(8) bond length is 0.99 Å. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(7) atom. The H(15)-O(7) bond length is 0.99 Å. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(10) atom. The H(16)-O(10) bond length is 0.98 Å. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(10) atom. The H(17)-O(10) bond length is 0.98 Å. In the eighteenth H site, H(18) is bonded in a single-bond geometry to one O(7) atom. The H(18)-O(7) bond length is 1.00 Å. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one O(9) atom. The H(19)-O(9) bond length is 0.99 Å. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(8) atom. The H(20)-O(8) bond length is 0.98 Å. In the twenty-first H site, H(21) is bonded in a single-bond geometry to one O(12) atom. The H(21)-O(12) bond length is 0.99 Å. In the twenty-second H site, H(22) is bonded in a single-bond geometry to one O(11) atom. The H(22)-O(11) bond length is 0.98 Å. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one O(12) atom. The H(23)-O(12) bond length is 0.98 Å. In the twenty-fourth H site, H(24) is bonded in a single-bond geometry to one O(11) atom. The H(24)-O(11) bond length is 0.99 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(2), one H(1), and one H(4) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Mg(1), one H(2), and one H(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(2), one H(5), and one H(9) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(10), and one H(7) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Mg(2), one H(11), and one H(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(12), and one H(8) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Mg(2), one H(15), and one H(18) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(14), and one H(20) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(2), one H(13), and one H(19) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(16), and one H(17) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mg(2), one H(22), and one H(24) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mg(1), one H(21), and one H(23) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 1-coordinate geometry to two equivalent Rb(1) atoms. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to two equivalent Rb(1), one H(10), one H(12), and one H(13) atom. In the third Cl site, Cl(3) is bonded in a 3-coordinate geometry to two equivalent Rb(2) atoms. In the fourth Cl site, Cl(4) is bonded in a 1-coordinate geometry to two equivalent Rb(2) atoms. In the fifth Cl site, Cl(5) is bonded in a 5-coordinate geometry to one Rb(1) and one Rb(2) atom. In the sixth Cl site, Cl(6) is bonded in a 5-coordinate geometry to one Rb(1) and one Rb(2) atom.