Ca2B5H2O10Cl crystallizes in the monoclinic Cc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), one O(9), and one Cl(1) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), one O(8), and two equivalent Cl(1) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(8) atom. In the third B site, B(3) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form corner-sharing BO4 tetrahedra. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(9) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Ca(2), one B(1), and one B(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(1), and one B(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Ca(2), one B(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(2), and one B(4) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1), one B(4), and one B(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(3), and one B(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(2), and one B(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ca(1), one B(3), and one B(5) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. Cl(1) is bonded in a T-shaped geometry to one Ca(1) and two equivalent Ca(2) atoms.
Ca2B5H2O10Cl crystallizes in the monoclinic Cc space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), one O(9), and one Cl(1) atom. The Ca(1)-O(10) bond length is 2.36 Å. The Ca(1)-O(2) bond length is 2.52 Å. The Ca(1)-O(3) bond length is 2.53 Å. The Ca(1)-O(4) bond length is 2.50 Å. The Ca(1)-O(6) bond length is 2.52 Å. The Ca(1)-O(9) bond length is 2.45 Å. The Ca(1)-Cl(1) bond length is 2.83 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), one O(8), and two equivalent Cl(1) atoms. The Ca(2)-O(1) bond length is 2.39 Å. The Ca(2)-O(2) bond length is 2.61 Å. The Ca(2)-O(4) bond length is 2.82 Å. The Ca(2)-O(5) bond length is 2.46 Å. The Ca(2)-O(7) bond length is 2.43 Å. The Ca(2)-O(8) bond length is 2.61 Å. There is one shorter (2.91 Å) and one longer (2.94 Å) Ca(2)-Cl(1) bond length. There are five inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. The B(1)-O(1) bond length is 1.51 Å. The B(1)-O(2) bond length is 1.48 Å. The B(1)-O(3) bond length is 1.49 Å. The B(1)-O(4) bond length is 1.44 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(5), and one O(8) atom. The B(2)-O(1) bond length is 1.37 Å. The B(2)-O(5) bond length is 1.38 Å. The B(2)-O(8) bond length is 1.37 Å. In the third B site, B(3) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form corner-sharing BO4 tetrahedra. The B(3)-O(4) bond length is 1.47 Å. The B(3)-O(7) bond length is 1.45 Å. The B(3)-O(8) bond length is 1.51 Å. The B(3)-O(9) bond length is 1.53 Å. In the fourth B site, B(4) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form corner-sharing BO4 tetrahedra. The B(4)-O(2) bond length is 1.48 Å. The B(4)-O(5) bond length is 1.51 Å. The B(4)-O(6) bond length is 1.47 Å. The B(4)-O(7) bond length is 1.48 Å. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(9) atom. The B(5)-O(3) bond length is 1.39 Å. The B(5)-O(6) bond length is 1.36 Å. The B(5)-O(9) bond length is 1.38 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. The H(1)-O(10) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. The H(2)-O(10) bond length is 0.98 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Ca(2), one B(1), and one B(4) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(1), and one B(5) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one Ca(2), one B(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(2), and one B(4) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Ca(1), one B(4), and one B(5) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(3), and one B(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(2), and one B(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ca(1), one B(3), and one B(5) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Ca(1), one H(1), and one H(2) atom. Cl(1) is bonded in a T-shaped geometry to one Ca(1) and two equivalent Ca(2) atoms.