Ca2B5O10Cl crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), one O(9), and one Cl(1) atom. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom. There are five inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(10), one O(4), one O(8), and one O(9) atom to form corner-sharing BO4 tetrahedra. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(7) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Cl(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(2), one B(1), and one B(5) 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(4) 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(1), one B(1), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(2), and one B(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(2), one B(2), and one B(5) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ca(1), 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(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(3), and one B(5) atom. Cl(1) is bonded in a distorted single-bond geometry to one Ca(1) and one O(1) atom.
Ca2B5O10Cl crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), one O(8), one O(9), and one Cl(1) atom. The Ca(1)-O(1) bond length is 2.49 Å. The Ca(1)-O(3) bond length is 2.49 Å. The Ca(1)-O(4) bond length is 2.64 Å. The Ca(1)-O(5) bond length is 2.41 Å. The Ca(1)-O(6) bond length is 2.66 Å. The Ca(1)-O(8) bond length is 2.83 Å. The Ca(1)-O(9) bond length is 2.39 Å. The Ca(1)-Cl(1) bond length is 3.23 Å. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom. The Ca(2)-O(1) bond length is 2.30 Å. The Ca(2)-O(10) bond length is 2.52 Å. The Ca(2)-O(2) bond length is 2.46 Å. The Ca(2)-O(4) bond length is 2.56 Å. The Ca(2)-O(7) bond length is 2.42 Å. The Ca(2)-O(8) bond length is 2.48 Å. There are five inequivalent B sites. In the first B site, B(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. The B(1)-O(2) bond length is 1.47 Å. The B(1)-O(3) bond length is 1.50 Å. The B(1)-O(4) bond length is 1.46 Å. The B(1)-O(5) bond length is 1.48 Å. In the second B site, B(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing BO4 tetrahedra. The B(2)-O(5) bond length is 1.44 Å. The B(2)-O(6) bond length is 1.50 Å. The B(2)-O(7) bond length is 1.54 Å. The B(2)-O(8) bond length is 1.46 Å. In the third B site, B(3) is bonded to one O(10), one O(4), one O(8), and one O(9) atom to form corner-sharing BO4 tetrahedra. The B(3)-O(10) bond length is 1.48 Å. The B(3)-O(4) bond length is 1.47 Å. The B(3)-O(8) bond length is 1.45 Å. The B(3)-O(9) bond length is 1.51 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(3), one O(6), and one O(9) atom. The B(4)-O(3) bond length is 1.38 Å. The B(4)-O(6) bond length is 1.37 Å. The B(4)-O(9) bond length is 1.38 Å. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(10), one O(2), and one O(7) atom. The B(5)-O(10) bond length is 1.39 Å. The B(5)-O(2) bond length is 1.37 Å. The B(5)-O(7) bond length is 1.38 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Cl(1) atom. The O(1)-Cl(1) bond length is 1.68 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(2), one B(1), and one B(5) 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(4) 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(1), one B(1), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(2), and one B(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(2), one B(2), and one B(5) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ca(1), 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(4) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ca(2), one B(3), and one B(5) atom. Cl(1) is bonded in a distorted single-bond geometry to one Ca(1) and one O(1) atom.