The structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2B5H2ClO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.535
_cell_length_b   6.535
_cell_length_c   11.535
_cell_angle_alpha   89.969
_cell_angle_beta   89.969
_cell_angle_gamma   121.753
_symmetry_Int_Tables_number   1
_cell_volume   418.816
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.748  0.251  0.500  1.0
  Ca  Ca1  1  0.251  0.748  0.000  1.0
  Ca  Ca2  1  0.372  0.313  0.226  1.0
  Ca  Ca3  1  0.313  0.372  0.726  1.0
  B  B4  1  0.450  0.842  0.239  1.0
  B  B5  1  0.842  0.450  0.739  1.0
  B  B6  1  0.855  0.911  0.228  1.0
  B  B7  1  0.911  0.855  0.728  1.0
  B  B8  1  0.014  0.627  0.275  1.0
  B  B9  1  0.627  0.014  0.775  1.0
  B  B10  1  0.779  0.238  0.164  1.0
  B  B11  1  0.238  0.779  0.664  1.0
  B  B12  1  0.284  0.798  0.440  1.0
  B  B13  1  0.798  0.284  0.940  1.0
  H  H14  1  0.755  0.804  0.465  1.0
  H  H15  1  0.804  0.755  0.965  1.0
  H  H16  1  0.027  0.016  0.460  1.0
  H  H17  1  0.016  0.027  0.960  1.0
  Cl  Cl18  1  0.409  0.392  0.476  1.0
  Cl  Cl19  1  0.392  0.409  0.976  1.0
  O  O20  1  0.613  0.743  0.233  1.0
  O  O21  1  0.743  0.613  0.733  1.0
  O  O22  1  0.525  0.038  0.154  1.0
  O  O23  1  0.038  0.525  0.654  1.0
  O  O24  1  0.462  0.935  0.359  1.0
  O  O25  1  0.935  0.462  0.859  1.0
  O  O26  1  0.215  0.639  0.210  1.0
  O  O27  1  0.639  0.215  0.710  1.0
  O  O28  1  0.937  0.149  0.205  1.0
  O  O29  1  0.149  0.937  0.705  1.0
  O  O30  1  0.870  0.357  0.051  1.0
  O  O31  1  0.357  0.870  0.551  1.0
  O  O32  1  0.785  0.413  0.247  1.0
  O  O33  1  0.413  0.785  0.747  1.0
  O  O34  1  0.030  0.863  0.253  1.0
  O  O35  1  0.863  0.030  0.753  1.0
  O  O36  1  0.055  0.622  0.405  1.0
  O  O37  1  0.622  0.055  0.905  1.0
  O  O38  1  0.868  0.968  0.491  1.0
  O  O39  1  0.968  0.868  0.991  1.0
[/CIF]
.
The structure described by 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. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2B5H2ClO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.535
_cell_length_b   6.535
_cell_length_c   11.535
_cell_angle_alpha   89.969
_cell_angle_beta   89.969
_cell_angle_gamma   121.753
_symmetry_Int_Tables_number   1
_cell_volume   418.816
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.748  0.251  0.500  1.0
  Ca  Ca1  1  0.251  0.748  0.000  1.0
  Ca  Ca2  1  0.372  0.313  0.226  1.0
  Ca  Ca3  1  0.313  0.372  0.726  1.0
  B  B4  1  0.450  0.842  0.239  1.0
  B  B5  1  0.842  0.450  0.739  1.0
  B  B6  1  0.855  0.911  0.228  1.0
  B  B7  1  0.911  0.855  0.728  1.0
  B  B8  1  0.014  0.627  0.275  1.0
  B  B9  1  0.627  0.014  0.775  1.0
  B  B10  1  0.779  0.238  0.164  1.0
  B  B11  1  0.238  0.779  0.664  1.0
  B  B12  1  0.284  0.798  0.440  1.0
  B  B13  1  0.798  0.284  0.940  1.0
  H  H14  1  0.755  0.804  0.465  1.0
  H  H15  1  0.804  0.755  0.965  1.0
  H  H16  1  0.027  0.016  0.460  1.0
  H  H17  1  0.016  0.027  0.960  1.0
  Cl  Cl18  1  0.409  0.392  0.476  1.0
  Cl  Cl19  1  0.392  0.409  0.976  1.0
  O  O20  1  0.613  0.743  0.233  1.0
  O  O21  1  0.743  0.613  0.733  1.0
  O  O22  1  0.525  0.038  0.154  1.0
  O  O23  1  0.038  0.525  0.654  1.0
  O  O24  1  0.462  0.935  0.359  1.0
  O  O25  1  0.935  0.462  0.859  1.0
  O  O26  1  0.215  0.639  0.210  1.0
  O  O27  1  0.639  0.215  0.710  1.0
  O  O28  1  0.937  0.149  0.205  1.0
  O  O29  1  0.149  0.937  0.705  1.0
  O  O30  1  0.870  0.357  0.051  1.0
  O  O31  1  0.357  0.870  0.551  1.0
  O  O32  1  0.785  0.413  0.247  1.0
  O  O33  1  0.413  0.785  0.747  1.0
  O  O34  1  0.030  0.863  0.253  1.0
  O  O35  1  0.863  0.030  0.753  1.0
  O  O36  1  0.055  0.622  0.405  1.0
  O  O37  1  0.622  0.055  0.905  1.0
  O  O38  1  0.868  0.968  0.491  1.0
  O  O39  1  0.968  0.868  0.991  1.0
[/CIF]
.