Ba(OH)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one H(1), one H(11), one H(12), one H(9), one O(1), one O(15), one O(16), one O(4), one O(5), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 3-coordinate geometry to one O(12), one O(3), and one O(8) atom. In the third Ba site, Ba(3) is bonded in a 14-coordinate geometry to one H(13), one H(14), one H(3), one H(5), one H(7), one H(9), one O(11), one O(13), one O(14), one O(2), one O(3), one O(5), one O(7), and one O(9) atom. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one H(4), one H(6), one H(8), one O(1), one O(10), one O(12), one O(13), one O(14), one O(6), and one O(8) atom. In the fifth Ba site, Ba(5) is bonded in a 12-coordinate geometry to one H(1), one H(11), one H(13), one H(3), one H(5), one H(8), one O(1), one O(11), one O(13), one O(16), one O(3), and one O(8) atom. In the sixth Ba site, Ba(6) is bonded in a 10-coordinate geometry to one H(2), one H(6), one H(7), one O(12), one O(14), one O(15), one O(2), one O(4), one O(6), and one O(7) atom. In the seventh Ba site, Ba(7) is bonded in a 9-coordinate geometry to one H(12), one H(3), one H(6), one O(1), one O(14), one O(15), one O(3), one O(7), and one O(9) atom. In the eighth Ba site, Ba(8) is bonded in a 8-coordinate geometry to one H(11), one H(5), one O(10), one O(13), one O(16), one O(2), one O(4), and one O(8) atom. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Ba(1), one Ba(5), and one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Ba(6) and one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one Ba(3), one Ba(5), one Ba(7), and one O(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one Ba(4) and one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one Ba(3), one Ba(5), one Ba(8), and one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one Ba(4), one Ba(6), one Ba(7), and one O(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one Ba(3), one Ba(6), and one O(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one Ba(4), one Ba(5), and one O(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one Ba(1), one Ba(3), and one O(9) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(10) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one Ba(1), one Ba(5), one Ba(8), and one O(11) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one Ba(1), one Ba(7), and one O(12) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one Ba(3), one Ba(5), and one O(13) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one Ba(3) and one O(14) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(15) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(16) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), one Ba(4), one Ba(5), one Ba(7), and one H(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ba(3), one Ba(6), one Ba(8), and one H(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(7), and one H(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ba(1), one Ba(6), one Ba(8), and one H(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(1), one Ba(3), and one H(5) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ba(4), one Ba(6), and one H(6) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(6), one Ba(7), and one H(7) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(5), one Ba(8), and one H(8) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(7), and one H(9) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Ba(4), one Ba(8), and one H(10) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Ba(3), one Ba(5), and one H(11) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(6), and one H(12) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Ba(3), one Ba(4), one Ba(5), one Ba(8), and one H(13) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Ba(3), one Ba(4), one Ba(6), one Ba(7), and one H(14) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Ba(1), one Ba(6), one Ba(7), and one H(15) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one Ba(1), one Ba(5), one Ba(8), and one H(16) atom.
Ba(OH)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one H(1), one H(11), one H(12), one H(9), one O(1), one O(15), one O(16), one O(4), one O(5), one O(7), and one O(9) atom. The Ba(1)-H(1) bond length is 2.70 Å. The Ba(1)-H(11) bond length is 2.58 Å. The Ba(1)-H(12) bond length is 3.06 Å. The Ba(1)-H(9) bond length is 2.82 Å. The Ba(1)-O(1) bond length is 2.90 Å. The Ba(1)-O(15) bond length is 2.83 Å. The Ba(1)-O(16) bond length is 2.97 Å. The Ba(1)-O(4) bond length is 2.74 Å. The Ba(1)-O(5) bond length is 2.77 Å. The Ba(1)-O(7) bond length is 2.67 Å. The Ba(1)-O(9) bond length is 3.05 Å. In the second Ba site, Ba(2) is bonded in a 3-coordinate geometry to one O(12), one O(3), and one O(8) atom. The Ba(2)-O(12) bond length is 2.77 Å. The Ba(2)-O(3) bond length is 2.87 Å. The Ba(2)-O(8) bond length is 2.67 Å. In the third Ba site, Ba(3) is bonded in a 14-coordinate geometry to one H(13), one H(14), one H(3), one H(5), one H(7), one H(9), one O(11), one O(13), one O(14), one O(2), one O(3), one O(5), one O(7), and one O(9) atom. The Ba(3)-H(13) bond length is 2.77 Å. The Ba(3)-H(14) bond length is 2.84 Å. The Ba(3)-H(3) bond length is 2.93 Å. The Ba(3)-H(5) bond length is 3.03 Å. The Ba(3)-H(7) bond length is 2.72 Å. The Ba(3)-H(9) bond length is 3.08 Å. The Ba(3)-O(11) bond length is 3.12 Å. The Ba(3)-O(13) bond length is 2.81 Å. The Ba(3)-O(14) bond length is 3.00 Å. The Ba(3)-O(2) bond length is 2.92 Å. The Ba(3)-O(3) bond length is 3.09 Å. The Ba(3)-O(5) bond length is 2.76 Å. The Ba(3)-O(7) bond length is 2.93 Å. The Ba(3)-O(9) bond length is 2.80 Å. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one H(4), one H(6), one H(8), one O(1), one O(10), one O(12), one O(13), one O(14), one O(6), and one O(8) atom. The Ba(4)-H(4) bond length is 2.87 Å. The Ba(4)-H(6) bond length is 2.69 Å. The Ba(4)-H(8) bond length is 2.60 Å. The Ba(4)-O(1) bond length is 2.85 Å. The Ba(4)-O(10) bond length is 2.78 Å. The Ba(4)-O(12) bond length is 3.05 Å. The Ba(4)-O(13) bond length is 3.03 Å. The Ba(4)-O(14) bond length is 2.76 Å. The Ba(4)-O(6) bond length is 2.75 Å. The Ba(4)-O(8) bond length is 2.80 Å. In the fifth Ba site, Ba(5) is bonded in a 12-coordinate geometry to one H(1), one H(11), one H(13), one H(3), one H(5), one H(8), one O(1), one O(11), one O(13), one O(16), one O(3), and one O(8) atom. The Ba(5)-H(1) bond length is 2.85 Å. The Ba(5)-H(11) bond length is 2.61 Å. The Ba(5)-H(13) bond length is 2.96 Å. The Ba(5)-H(3) bond length is 2.79 Å. The Ba(5)-H(5) bond length is 2.54 Å. The Ba(5)-H(8) bond length is 2.65 Å. The Ba(5)-O(1) bond length is 2.76 Å. The Ba(5)-O(11) bond length is 2.96 Å. The Ba(5)-O(13) bond length is 2.67 Å. The Ba(5)-O(16) bond length is 2.70 Å. The Ba(5)-O(3) bond length is 2.78 Å. The Ba(5)-O(8) bond length is 2.74 Å. In the sixth Ba site, Ba(6) is bonded in a 10-coordinate geometry to one H(2), one H(6), one H(7), one O(12), one O(14), one O(15), one O(2), one O(4), one O(6), and one O(7) atom. The Ba(6)-H(2) bond length is 2.79 Å. The Ba(6)-H(6) bond length is 2.58 Å. The Ba(6)-H(7) bond length is 2.77 Å. The Ba(6)-O(12) bond length is 2.83 Å. The Ba(6)-O(14) bond length is 2.75 Å. The Ba(6)-O(15) bond length is 2.87 Å. The Ba(6)-O(2) bond length is 2.81 Å. The Ba(6)-O(4) bond length is 2.80 Å. The Ba(6)-O(6) bond length is 2.77 Å. The Ba(6)-O(7) bond length is 2.84 Å. In the seventh Ba site, Ba(7) is bonded in a 9-coordinate geometry to one H(12), one H(3), one H(6), one O(1), one O(14), one O(15), one O(3), one O(7), and one O(9) atom. The Ba(7)-H(12) bond length is 2.91 Å. The Ba(7)-H(3) bond length is 2.87 Å. The Ba(7)-H(6) bond length is 2.61 Å. The Ba(7)-O(1) bond length is 2.77 Å. The Ba(7)-O(14) bond length is 2.86 Å. The Ba(7)-O(15) bond length is 2.62 Å. The Ba(7)-O(3) bond length is 2.80 Å. The Ba(7)-O(7) bond length is 2.67 Å. The Ba(7)-O(9) bond length is 2.64 Å. In the eighth Ba site, Ba(8) is bonded in a 8-coordinate geometry to one H(11), one H(5), one O(10), one O(13), one O(16), one O(2), one O(4), and one O(8) atom. The Ba(8)-H(11) bond length is 2.71 Å. The Ba(8)-H(5) bond length is 2.53 Å. The Ba(8)-O(10) bond length is 2.76 Å. The Ba(8)-O(13) bond length is 2.76 Å. The Ba(8)-O(16) bond length is 2.65 Å. The Ba(8)-O(2) bond length is 2.77 Å. The Ba(8)-O(4) bond length is 2.91 Å. The Ba(8)-O(8) bond length is 2.81 Å. There are sixteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Ba(1), one Ba(5), and 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 Ba(6) and one O(2) atom. The H(2)-O(2) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one Ba(3), one Ba(5), one Ba(7), and one O(3) atom. The H(3)-O(3) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one Ba(4) and one O(4) atom. The H(4)-O(4) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one Ba(3), one Ba(5), one Ba(8), and one O(5) atom. The H(5)-O(5) bond length is 0.97 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one Ba(4), one Ba(6), one Ba(7), and one O(6) atom. The H(6)-O(6) bond length is 0.98 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one Ba(3), one Ba(6), and one O(7) atom. The H(7)-O(7) bond length is 0.99 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one Ba(4), one Ba(5), and one O(8) atom. The H(8)-O(8) bond length is 1.01 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to one Ba(1), one Ba(3), and one O(9) atom. The H(9)-O(9) bond length is 0.98 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(10) atom. The H(10)-O(10) bond length is 0.99 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one Ba(1), one Ba(5), one Ba(8), and one O(11) atom. The H(11)-O(11) bond length is 0.97 Å. In the twelfth H site, H(12) is bonded in a single-bond geometry to one Ba(1), one Ba(7), and one O(12) atom. The H(12)-O(12) bond length is 0.98 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one Ba(3), one Ba(5), and one O(13) atom. The H(13)-O(13) bond length is 0.98 Å. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one Ba(3) and one O(14) atom. The H(14)-O(14) bond length is 0.98 Å. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(15) atom. The H(15)-O(15) bond length is 0.98 Å. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(16) atom. The H(16)-O(16) bond length is 0.98 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ba(1), one Ba(4), one Ba(5), one Ba(7), and one H(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ba(3), one Ba(6), one Ba(8), and one H(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Ba(2), one Ba(3), one Ba(5), one Ba(7), and one H(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Ba(1), one Ba(6), one Ba(8), and one H(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ba(1), one Ba(3), and one H(5) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Ba(4), one Ba(6), and one H(6) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(6), one Ba(7), and one H(7) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(5), one Ba(8), and one H(8) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one Ba(1), one Ba(3), one Ba(7), and one H(9) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Ba(4), one Ba(8), and one H(10) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Ba(3), one Ba(5), and one H(11) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one Ba(2), one Ba(4), one Ba(6), and one H(12) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Ba(3), one Ba(4), one Ba(5), one Ba(8), and one H(13) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Ba(3), one Ba(4), one Ba(6), one Ba(7), and one H(14) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Ba(1), one Ba(6), one Ba(7), and one H(15) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one Ba(1), one Ba(5), one Ba(8), and one H(16) atom.