Ca(H8O5)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(2), one O(3), and one O(4) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are thirty-two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(17) 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 single-bond geometry to one O(2) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(17) and one O(2) 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 distorted linear geometry to one O(17) and one O(4) 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(5) atom. In the ninth H site, H(9) is bonded in a distorted linear geometry to one O(5) and one O(6) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(6) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(7) 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(8) 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 linear geometry to one O(19) and one O(9) atom. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(9) 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(10) atom. In the nineteenth H site, H(19) is bonded in a distorted single-bond geometry to one O(11) and one O(19) atom. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(11) atom. In the twenty-first H site, H(21) is bonded in a distorted single-bond geometry to one O(12) and one O(19) atom. In the twenty-second H site, H(22) is bonded in a distorted single-bond geometry to one O(12) and one O(3) atom. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one O(13) atom. In the twenty-fourth H site, H(24) is bonded in a distorted single-bond geometry to one O(13) atom. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one O(14) atom. In the twenty-sixth H site, H(26) is bonded in a linear geometry to one O(14) and one O(5) atom. In the twenty-seventh H site, H(27) is bonded in a distorted single-bond geometry to one O(15) atom. In the twenty-eighth H site, H(28) is bonded in a single-bond geometry to one O(15) atom. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one O(16) atom. In the thirtieth H site, H(30) is bonded in a single-bond geometry to one O(16) atom. In the thirty-first H site, H(31) is bonded in a single-bond geometry to one O(18) atom. In the thirty-second H site, H(32) is bonded in a distorted linear geometry to one O(16) and one O(20) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one H(1) and one H(2) atom. In the second O site, O(2) is bonded in a water-like geometry to one Ca(1), one H(3), and one H(4) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ca(1), one H(22), and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Ca(1), one H(6), and one H(7) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(2), one H(26), one H(8), and one H(9) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ca(2), one H(10), and one H(9) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Ca(2), one H(11), and one H(12) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Ca(2), one H(13), and one H(14) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ca(2), one H(15), and one H(16) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Ca(2), one H(17), and one H(18) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Ca(2), one H(19), and one H(20) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ca(2), one H(21), and one H(22) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Ca(1), one H(23), and one H(24) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one H(25), and one H(26) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Ca(1), one H(27), and one H(28) atom. In the sixteenth O site, O(16) is bonded in a distorted water-like geometry to one H(29), one H(30), and one H(32) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one H(1), one H(4), one H(6), and one O(20) atom. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one H(31) and one O(19) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one H(15), one H(19), one H(21), and one O(18) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one H(32) and one O(17) atom.
Ca(H8O5)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(13), one O(14), one O(15), one O(2), one O(3), and one O(4) atom. The Ca(1)-O(13) bond length is 2.61 Å. The Ca(1)-O(14) bond length is 2.30 Å. The Ca(1)-O(15) bond length is 2.51 Å. The Ca(1)-O(2) bond length is 2.60 Å. The Ca(1)-O(3) bond length is 2.23 Å. The Ca(1)-O(4) bond length is 2.38 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Ca(2)-O(10) bond length is 2.39 Å. The Ca(2)-O(11) bond length is 2.74 Å. The Ca(2)-O(12) bond length is 2.47 Å. The Ca(2)-O(5) bond length is 2.77 Å. The Ca(2)-O(6) bond length is 2.60 Å. The Ca(2)-O(7) bond length is 2.64 Å. The Ca(2)-O(8) bond length is 2.45 Å. The Ca(2)-O(9) bond length is 2.52 Å. There are thirty-two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) and one O(17) atom. The H(1)-O(1) bond length is 1.01 Å. The H(1)-O(17) bond length is 1.71 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 1.00 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 0.99 Å. In the fourth H site, H(4) is bonded in a distorted linear geometry to one O(17) and one O(2) atom. The H(4)-O(17) bond length is 1.60 Å. The H(4)-O(2) bond length is 1.03 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 0.97 Å. In the sixth H site, H(6) is bonded in a distorted linear geometry to one O(17) and one O(4) atom. The H(6)-O(17) bond length is 1.60 Å. The H(6)-O(4) bond length is 1.03 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 1.00 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(5) atom. The H(8)-O(5) bond length is 0.98 Å. In the ninth H site, H(9) is bonded in a distorted linear geometry to one O(5) and one O(6) atom. The H(9)-O(5) bond length is 1.64 Å. The H(9)-O(6) bond length is 1.02 Å. In the tenth H site, H(10) is bonded in a single-bond geometry to one O(6) atom. The H(10)-O(6) bond length is 0.99 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to one O(7) atom. The H(11)-O(7) 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 0.99 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(8) atom. The H(13)-O(8) bond length is 1.00 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 1.00 Å. In the fifteenth H site, H(15) is bonded in a linear geometry to one O(19) and one O(9) atom. The H(15)-O(19) bond length is 1.47 Å. The H(15)-O(9) bond length is 1.06 Å. In the sixteenth H site, H(16) is bonded in a single-bond geometry to one O(9) atom. The H(16)-O(9) bond length is 1.00 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(10) atom. The H(18)-O(10) bond length is 1.01 Å. In the nineteenth H site, H(19) is bonded in a distorted single-bond geometry to one O(11) and one O(19) atom. The H(19)-O(11) bond length is 1.02 Å. The H(19)-O(19) bond length is 1.67 Å. In the twentieth H site, H(20) is bonded in a single-bond geometry to one O(11) atom. The H(20)-O(11) bond length is 1.00 Å. In the twenty-first H site, H(21) is bonded in a distorted single-bond geometry to one O(12) and one O(19) atom. The H(21)-O(12) bond length is 1.01 Å. The H(21)-O(19) bond length is 1.67 Å. In the twenty-second H site, H(22) is bonded in a distorted single-bond geometry to one O(12) and one O(3) atom. The H(22)-O(12) bond length is 1.03 Å. The H(22)-O(3) bond length is 1.55 Å. In the twenty-third H site, H(23) is bonded in a single-bond geometry to one O(13) atom. The H(23)-O(13) bond length is 0.97 Å. In the twenty-fourth H site, H(24) is bonded in a distorted single-bond geometry to one O(13) atom. The H(24)-O(13) bond length is 1.01 Å. In the twenty-fifth H site, H(25) is bonded in a single-bond geometry to one O(14) atom. The H(25)-O(14) bond length is 0.97 Å. In the twenty-sixth H site, H(26) is bonded in a linear geometry to one O(14) and one O(5) atom. The H(26)-O(14) bond length is 1.35 Å. The H(26)-O(5) bond length is 1.12 Å. In the twenty-seventh H site, H(27) is bonded in a distorted single-bond geometry to one O(15) atom. The H(27)-O(15) bond length is 1.01 Å. In the twenty-eighth H site, H(28) is bonded in a single-bond geometry to one O(15) atom. The H(28)-O(15) bond length is 1.00 Å. In the twenty-ninth H site, H(29) is bonded in a single-bond geometry to one O(16) atom. The H(29)-O(16) bond length is 1.01 Å. In the thirtieth H site, H(30) is bonded in a single-bond geometry to one O(16) atom. The H(30)-O(16) bond length is 0.99 Å. In the thirty-first H site, H(31) is bonded in a single-bond geometry to one O(18) atom. The H(31)-O(18) bond length is 1.00 Å. In the thirty-second H site, H(32) is bonded in a distorted linear geometry to one O(16) and one O(20) atom. The H(32)-O(16) bond length is 1.64 Å. The H(32)-O(20) bond length is 1.01 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one H(1) and one H(2) atom. In the second O site, O(2) is bonded in a water-like geometry to one Ca(1), one H(3), and one H(4) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Ca(1), one H(22), and one H(5) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Ca(1), one H(6), and one H(7) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(2), one H(26), one H(8), and one H(9) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Ca(2), one H(10), and one H(9) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Ca(2), one H(11), and one H(12) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Ca(2), one H(13), and one H(14) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ca(2), one H(15), and one H(16) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Ca(2), one H(17), and one H(18) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to one Ca(2), one H(19), and one H(20) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ca(2), one H(21), and one H(22) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Ca(1), one H(23), and one H(24) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one H(25), and one H(26) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Ca(1), one H(27), and one H(28) atom. In the sixteenth O site, O(16) is bonded in a distorted water-like geometry to one H(29), one H(30), and one H(32) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one H(1), one H(4), one H(6), and one O(20) atom. The O(17)-O(20) bond length is 1.48 Å. In the eighteenth O site, O(18) is bonded in a distorted single-bond geometry to one H(31) and one O(19) atom. The O(18)-O(19) bond length is 1.48 Å. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one H(15), one H(19), one H(21), and one O(18) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one H(32) and one O(17) atom.