Ca4Al2CH20O19H2O crystallizes in the triclinic P1 space group. The structure consists of one water molecule inside a Ca4Al2CH20O19 framework. In the Ca4Al2CH20O19 framework, there are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(3), one O(4), and one O(5) atom. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(11), one O(14), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(11), one O(19), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(15), one O(5), one O(7), and one O(8) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom. In the second Al site, Al(2) is bonded in an octahedral geometry to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(8) atom. C(1) is bonded in a trigonal planar geometry to one O(18), one O(19), and one O(20) atom. There are twenty 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(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(5) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(7) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(8) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to 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 O(11) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one O(12) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(13) atom. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(13) atom. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(14) and one O(19) atom. In the sixteenth H site, H(16) is bonded in a distorted linear geometry to one O(14) and one O(20) atom. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(15) atom. In the eighteenth H site, H(18) is bonded in a distorted linear geometry to one O(15) and one O(18) atom. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one O(16) atom. In the twentieth H site, H(20) is bonded in a distorted single-bond geometry to one O(16) and one O(19) atom. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(4), one Al(1), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Al(1), and one H(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Al(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Al(1), and one H(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Al(2), and one H(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Al(2), and one H(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Al(2), and one H(7) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Al(2), and one H(8) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Al(1), and one H(9) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Al(1), and one H(10) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Al(2), and one H(11) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Al(2), and one H(12) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Ca(1), one H(13), and one H(14) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one Ca(2), one H(15), and one H(16) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Ca(4), one H(17), and one H(18) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one H(19) and one H(20) atom. In the seventeenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one C(1) and one H(18) atom. In the eighteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ca(3), one C(1), one H(15), and one H(20) atom. In the nineteenth O site, O(20) is bonded in a bent 120 degrees geometry to one C(1) and one H(16) atom.
Ca4Al2CH20O19H2O crystallizes in the triclinic P1 space group. The structure consists of one water molecule inside a Ca4Al2CH20O19 framework. In the Ca4Al2CH20O19 framework, there are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(13), one O(3), one O(4), and one O(5) atom. The Ca(1)-O(1) bond length is 2.48 Å. The Ca(1)-O(10) bond length is 2.36 Å. The Ca(1)-O(12) bond length is 2.49 Å. The Ca(1)-O(13) bond length is 2.58 Å. The Ca(1)-O(3) bond length is 2.38 Å. The Ca(1)-O(4) bond length is 2.47 Å. The Ca(1)-O(5) bond length is 2.37 Å. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(11), one O(14), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. The Ca(2)-O(11) bond length is 2.48 Å. The Ca(2)-O(14) bond length is 2.58 Å. The Ca(2)-O(2) bond length is 2.50 Å. The Ca(2)-O(3) bond length is 2.48 Å. The Ca(2)-O(4) bond length is 2.37 Å. The Ca(2)-O(6) bond length is 2.37 Å. The Ca(2)-O(9) bond length is 2.36 Å. In the third Ca site, Ca(3) is bonded in a 7-coordinate geometry to one O(11), one O(19), one O(2), one O(6), one O(7), one O(8), and one O(9) atom. The Ca(3)-O(11) bond length is 2.36 Å. The Ca(3)-O(19) bond length is 2.67 Å. The Ca(3)-O(2) bond length is 2.36 Å. The Ca(3)-O(6) bond length is 2.51 Å. The Ca(3)-O(7) bond length is 2.37 Å. The Ca(3)-O(8) bond length is 2.45 Å. The Ca(3)-O(9) bond length is 2.46 Å. In the fourth Ca site, Ca(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(15), one O(5), one O(7), and one O(8) atom. The Ca(4)-O(1) bond length is 2.36 Å. The Ca(4)-O(10) bond length is 2.48 Å. The Ca(4)-O(12) bond length is 2.37 Å. The Ca(4)-O(15) bond length is 2.60 Å. The Ca(4)-O(5) bond length is 2.48 Å. The Ca(4)-O(7) bond length is 2.43 Å. The Ca(4)-O(8) bond length is 2.37 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(2), one O(3), one O(4), and one O(9) atom. The Al(1)-O(1) bond length is 1.95 Å. The Al(1)-O(10) bond length is 1.93 Å. The Al(1)-O(2) bond length is 1.94 Å. The Al(1)-O(3) bond length is 1.92 Å. The Al(1)-O(4) bond length is 1.93 Å. The Al(1)-O(9) bond length is 1.93 Å. In the second Al site, Al(2) is bonded in an octahedral geometry to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(8) atom. The Al(2)-O(11) bond length is 1.94 Å. The Al(2)-O(12) bond length is 1.92 Å. The Al(2)-O(5) bond length is 1.94 Å. The Al(2)-O(6) bond length is 1.95 Å. The Al(2)-O(7) bond length is 1.92 Å. The Al(2)-O(8) bond length is 1.92 Å. C(1) is bonded in a trigonal planar geometry to one O(18), one O(19), and one O(20) atom. The C(1)-O(18) bond length is 1.30 Å. The C(1)-O(19) bond length is 1.31 Å. The C(1)-O(20) bond length is 1.29 Å. There are twenty 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 0.97 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 0.97 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) atom. The H(3)-O(3) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to 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 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 O(6) atom. The H(6)-O(6) bond length is 0.97 Å. In the seventh H site, H(7) is bonded in a single-bond geometry to one O(7) atom. The H(7)-O(7) bond length is 0.98 Å. In the eighth H site, H(8) is bonded in a single-bond geometry to one O(8) atom. The H(8)-O(8) bond length is 0.98 Å. In the ninth H site, H(9) is bonded in a single-bond geometry to 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 0.97 Å. In the eleventh H site, H(11) is bonded in a single-bond geometry to 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 O(12) atom. The H(12)-O(12) bond length is 0.97 Å. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one O(13) atom. The H(13)-O(13) bond length is 1.00 Å. In the fourteenth H site, H(14) is bonded in a single-bond geometry to one O(13) atom. The H(14)-O(13) bond length is 0.98 Å. In the fifteenth H site, H(15) is bonded in a single-bond geometry to one O(14) and one O(19) atom. The H(15)-O(14) bond length is 1.00 Å. The H(15)-O(19) bond length is 1.73 Å. In the sixteenth H site, H(16) is bonded in a distorted linear geometry to one O(14) and one O(20) atom. The H(16)-O(14) bond length is 1.02 Å. The H(16)-O(20) bond length is 1.62 Å. In the seventeenth H site, H(17) is bonded in a single-bond geometry to one O(15) atom. The H(17)-O(15) bond length is 0.98 Å. In the eighteenth H site, H(18) is bonded in a distorted linear geometry to one O(15) and one O(18) atom. The H(18)-O(15) bond length is 1.02 Å. The H(18)-O(18) bond length is 1.60 Å. In the nineteenth H site, H(19) is bonded in a single-bond geometry to one O(16) atom. The H(19)-O(16) bond length is 0.99 Å. In the twentieth H site, H(20) is bonded in a distorted single-bond geometry to one O(16) and one O(19) atom. The H(20)-O(16) bond length is 1.01 Å. The H(20)-O(19) bond length is 1.66 Å. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to one Ca(1), one Ca(4), one Al(1), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Al(1), and one H(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Al(1), and one H(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(2), one Al(1), and one H(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Al(2), and one H(5) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Al(2), and one H(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Al(2), and one H(7) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Al(2), and one H(8) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Al(1), and one H(9) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Al(1), and one H(10) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(3), one Al(2), and one H(11) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ca(1), one Ca(4), one Al(2), and one H(12) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Ca(1), one H(13), and one H(14) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one Ca(2), one H(15), and one H(16) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one Ca(4), one H(17), and one H(18) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one H(19) and one H(20) atom. In the seventeenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one C(1) and one H(18) atom. In the eighteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ca(3), one C(1), one H(15), and one H(20) atom. In the nineteenth O site, O(20) is bonded in a bent 120 degrees geometry to one C(1) and one H(16) atom.