K4MgZn4H16(O2Br3)4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), one Br(11), one Br(4), one Br(6), one Br(7), and two equivalent Br(2) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(3), one Br(12), one Br(3), one Br(5), and two equivalent Br(1) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one O(2), one O(7), one Br(2), one Br(5), one Br(8), one Br(9), and two equivalent Br(4) atoms. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one O(1), one O(8), one Br(1), one Br(6), one Br(7), and two equivalent Br(3) atoms. Mg(1) is bonded in a 4-coordinate geometry to one H(8), one O(6), one Br(8), and one Br(9) atom. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one O(1), one Br(2), one Br(6), and one Br(9) atom. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one O(2), one Br(1), one Br(10), and one Br(5) atom. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one O(3), one Br(11), one Br(4), and one Br(8) atom. In the fourth Zn site, Zn(4) is bonded in a tetrahedral geometry to one O(4), one Br(12), one Br(3), and one Br(7) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(4) and one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(1) 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 Mg(1) and one O(3) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(6) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(5) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(8) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(7) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(6) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(5) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(8) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one K(4), one Zn(1), one H(2), and one H(6) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one K(3), one Zn(2), one H(1), and one H(5) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one K(2), one Zn(3), one H(4), and one H(8) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Zn(4), one H(3), and one H(7) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one K(1), one H(10), and one H(14) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mg(1), one H(13), and one H(9) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one K(3), one H(12), and one H(16) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one K(4), one H(11), one H(15), and one H(3) atom. There are twelve inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one K(4), two equivalent K(2), and one Zn(2) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one K(3), two equivalent K(1), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(4), and one Zn(4) atom. In the fourth Br site, Br(4) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(3), and one Zn(3) atom. In the fifth Br site, Br(5) is bonded in a distorted L-shaped geometry to one K(2), one K(3), and one Zn(2) atom. In the sixth Br site, Br(6) is bonded in a distorted single-bond geometry to one K(1), one K(4), and one Zn(1) atom. In the seventh Br site, Br(7) is bonded in a distorted single-bond geometry to one K(1), one K(4), and one Zn(4) atom. In the eighth Br site, Br(8) is bonded in a distorted trigonal planar geometry to one K(3), one Mg(1), and one Zn(3) atom. In the ninth Br site, Br(9) is bonded in a 3-coordinate geometry to one K(3), one Mg(1), and one Zn(1) atom. In the tenth Br site, Br(10) is bonded in a single-bond geometry to one Zn(2) atom. In the eleventh Br site, Br(11) is bonded in a distorted single-bond geometry to one K(1) and one Zn(3) atom. In the twelfth Br site, Br(12) is bonded in a distorted single-bond geometry to one K(2) and one Zn(4) atom.
K4MgZn4H16(O2Br3)4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), one Br(11), one Br(4), one Br(6), one Br(7), and two equivalent Br(2) atoms. The K(1)-O(4) bond length is 2.99 Å. The K(1)-O(5) bond length is 2.91 Å. The K(1)-Br(11) bond length is 3.58 Å. The K(1)-Br(4) bond length is 3.43 Å. The K(1)-Br(6) bond length is 3.72 Å. The K(1)-Br(7) bond length is 3.72 Å. There is one shorter (3.43 Å) and one longer (3.67 Å) K(1)-Br(2) bond length. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(3), one Br(12), one Br(3), one Br(5), and two equivalent Br(1) atoms. The K(2)-O(3) bond length is 2.94 Å. The K(2)-Br(12) bond length is 3.48 Å. The K(2)-Br(3) bond length is 3.30 Å. The K(2)-Br(5) bond length is 3.44 Å. There is one shorter (3.57 Å) and one longer (3.71 Å) K(2)-Br(1) bond length. In the third K site, K(3) is bonded in a 8-coordinate geometry to one O(2), one O(7), one Br(2), one Br(5), one Br(8), one Br(9), and two equivalent Br(4) atoms. The K(3)-O(2) bond length is 3.12 Å. The K(3)-O(7) bond length is 2.83 Å. The K(3)-Br(2) bond length is 3.71 Å. The K(3)-Br(5) bond length is 3.91 Å. The K(3)-Br(8) bond length is 3.34 Å. The K(3)-Br(9) bond length is 3.35 Å. There is one shorter (3.40 Å) and one longer (3.82 Å) K(3)-Br(4) bond length. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one O(1), one O(8), one Br(1), one Br(6), one Br(7), and two equivalent Br(3) atoms. The K(4)-O(1) bond length is 3.04 Å. The K(4)-O(8) bond length is 2.84 Å. The K(4)-Br(1) bond length is 3.39 Å. The K(4)-Br(6) bond length is 3.73 Å. The K(4)-Br(7) bond length is 3.56 Å. There is one shorter (3.54 Å) and one longer (3.63 Å) K(4)-Br(3) bond length. Mg(1) is bonded in a 4-coordinate geometry to one H(8), one O(6), one Br(8), and one Br(9) atom. The Mg(1)-H(8) bond length is 2.33 Å. The Mg(1)-O(6) bond length is 2.32 Å. The Mg(1)-Br(8) bond length is 3.11 Å. The Mg(1)-Br(9) bond length is 3.22 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one O(1), one Br(2), one Br(6), and one Br(9) atom. The Zn(1)-O(1) bond length is 2.09 Å. The Zn(1)-Br(2) bond length is 2.39 Å. The Zn(1)-Br(6) bond length is 2.41 Å. The Zn(1)-Br(9) bond length is 2.43 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one O(2), one Br(1), one Br(10), and one Br(5) atom. The Zn(2)-O(2) bond length is 2.12 Å. The Zn(2)-Br(1) bond length is 2.42 Å. The Zn(2)-Br(10) bond length is 2.42 Å. The Zn(2)-Br(5) bond length is 2.41 Å. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one O(3), one Br(11), one Br(4), and one Br(8) atom. The Zn(3)-O(3) bond length is 2.06 Å. The Zn(3)-Br(11) bond length is 2.44 Å. The Zn(3)-Br(4) bond length is 2.43 Å. The Zn(3)-Br(8) bond length is 2.41 Å. In the fourth Zn site, Zn(4) is bonded in a tetrahedral geometry to one O(4), one Br(12), one Br(3), and one Br(7) atom. The Zn(4)-O(4) bond length is 2.06 Å. The Zn(4)-Br(12) bond length is 2.43 Å. The Zn(4)-Br(3) bond length is 2.43 Å. The Zn(4)-Br(7) bond length is 2.40 Å. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) atom. The H(1)-O(2) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. The H(2)-O(1) bond length is 1.01 Å. In the third H site, H(3) is bonded in a distorted single-bond geometry to one O(4) and one O(8) atom. The H(3)-O(4) bond length is 1.01 Å. The H(3)-O(8) bond length is 1.66 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(3) atom. The H(4)-O(3) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(2) atom. The H(5)-O(2) bond length is 0.98 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(1) atom. The H(6)-O(1) 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 Mg(1) and one O(3) atom. The H(8)-O(3) bond length is 1.03 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one O(6) atom. The H(9)-O(6) bond length is 0.99 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(5) atom. The H(10)-O(5) bond length is 0.98 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(8) atom. The H(11)-O(8) bond length is 0.98 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(7) atom. The H(12)-O(7) bond length is 0.98 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(6) atom. The H(13)-O(6) bond length is 0.99 Å. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(5) atom. The H(14)-O(5) bond length is 0.98 Å. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(8) atom. The H(15)-O(8) bond length is 0.98 Å. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(7) atom. The H(16)-O(7) bond length is 0.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one K(4), one Zn(1), one H(2), and one H(6) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one K(3), one Zn(2), one H(1), and one H(5) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to one K(2), one Zn(3), one H(4), and one H(8) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Zn(4), one H(3), and one H(7) atom. In the fifth O site, O(5) is bonded in a water-like geometry to one K(1), one H(10), and one H(14) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Mg(1), one H(13), and one H(9) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one K(3), one H(12), and one H(16) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one K(4), one H(11), one H(15), and one H(3) atom. There are twelve inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one K(4), two equivalent K(2), and one Zn(2) atom. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one K(3), two equivalent K(1), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(4), and one Zn(4) atom. In the fourth Br site, Br(4) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(3), and one Zn(3) atom. In the fifth Br site, Br(5) is bonded in a distorted L-shaped geometry to one K(2), one K(3), and one Zn(2) atom. In the sixth Br site, Br(6) is bonded in a distorted single-bond geometry to one K(1), one K(4), and one Zn(1) atom. In the seventh Br site, Br(7) is bonded in a distorted single-bond geometry to one K(1), one K(4), and one Zn(4) atom. In the eighth Br site, Br(8) is bonded in a distorted trigonal planar geometry to one K(3), one Mg(1), and one Zn(3) atom. In the ninth Br site, Br(9) is bonded in a 3-coordinate geometry to one K(3), one Mg(1), and one Zn(1) atom. In the tenth Br site, Br(10) is bonded in a single-bond geometry to one Zn(2) atom. In the eleventh Br site, Br(11) is bonded in a distorted single-bond geometry to one K(1) and one Zn(3) atom. In the twelfth Br site, Br(12) is bonded in a distorted single-bond geometry to one K(2) and one Zn(4) atom.