The structure described by CeB4H2O8Cl crystallizes in the monoclinic Cc space group. Ce(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent Cl(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the fourth B site, B(4) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form corner-sharing BO4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(8) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ce(1), 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 Ce(1), 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 Ce(1), one B(3), and one B(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one B(2), and one B(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one B(2), and one B(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ce(1), one B(4), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Ce(1), one B(2), and one H(1) atom. Cl(1) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_CeB4H2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.565
_cell_length_b   6.565
_cell_length_c   9.822
_cell_angle_alpha   97.688
_cell_angle_beta   97.688
_cell_angle_gamma   119.509
_symmetry_Int_Tables_number   1
_cell_volume   355.148
_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
  Ce  Ce0  1  0.682  0.269  0.066  1.0
  Ce  Ce1  1  0.269  0.682  0.566  1.0
  B  B2  1  0.612  0.721  0.147  1.0
  B  B3  1  0.721  0.612  0.647  1.0
  B  B4  1  0.232  0.421  0.193  1.0
  B  B5  1  0.421  0.232  0.693  1.0
  B  B6  1  0.042  0.977  0.129  1.0
  B  B7  1  0.977  0.042  0.629  1.0
  B  B8  1  0.320  0.832  0.217  1.0
  B  B9  1  0.832  0.320  0.717  1.0
  H  H10  1  0.411  0.397  0.373  1.0
  H  H11  1  0.397  0.411  0.873  1.0
  H  H12  1  0.471  0.062  0.416  1.0
  H  H13  1  0.062  0.471  0.916  1.0
  Cl  Cl14  1  0.439  0.794  0.871  1.0
  Cl  Cl15  1  0.794  0.439  0.371  1.0
  O  O16  1  0.451  0.481  0.136  1.0
  O  O17  1  0.481  0.451  0.636  1.0
  O  O18  1  0.566  0.899  0.188  1.0
  O  O19  1  0.899  0.566  0.688  1.0
  O  O20  1  0.259  0.989  0.148  1.0
  O  O21  1  0.989  0.259  0.648  1.0
  O  O22  1  0.145  0.578  0.161  1.0
  O  O23  1  0.578  0.145  0.661  1.0
  O  O24  1  0.829  0.759  0.117  1.0
  O  O25  1  0.759  0.829  0.617  1.0
  O  O26  1  0.029  0.176  0.120  1.0
  O  O27  1  0.176  0.029  0.620  1.0
  O  O28  1  0.346  0.894  0.373  1.0
  O  O29  1  0.894  0.346  0.873  1.0
  O  O30  1  0.293  0.444  0.349  1.0
  O  O31  1  0.444  0.293  0.849  1.0
[/CIF]
.
The structure described by CeB4H2O8Cl crystallizes in the monoclinic Cc space group. Ce(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent Cl(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded to one O(1), one O(4), one O(6), and one O(8) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the fourth B site, B(4) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form corner-sharing BO4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(8) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ce(1), 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 Ce(1), 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 Ce(1), one B(3), and one B(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one B(2), and one B(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one B(1), and one B(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ce(1), one B(2), and one B(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ce(1), one B(4), and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Ce(1), one B(2), and one H(1) atom. Cl(1) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_CeB4H2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.565
_cell_length_b   6.565
_cell_length_c   9.822
_cell_angle_alpha   97.688
_cell_angle_beta   97.688
_cell_angle_gamma   119.509
_symmetry_Int_Tables_number   1
_cell_volume   355.148
_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
  Ce  Ce0  1  0.682  0.269  0.066  1.0
  Ce  Ce1  1  0.269  0.682  0.566  1.0
  B  B2  1  0.612  0.721  0.147  1.0
  B  B3  1  0.721  0.612  0.647  1.0
  B  B4  1  0.232  0.421  0.193  1.0
  B  B5  1  0.421  0.232  0.693  1.0
  B  B6  1  0.042  0.977  0.129  1.0
  B  B7  1  0.977  0.042  0.629  1.0
  B  B8  1  0.320  0.832  0.217  1.0
  B  B9  1  0.832  0.320  0.717  1.0
  H  H10  1  0.411  0.397  0.373  1.0
  H  H11  1  0.397  0.411  0.873  1.0
  H  H12  1  0.471  0.062  0.416  1.0
  H  H13  1  0.062  0.471  0.916  1.0
  Cl  Cl14  1  0.439  0.794  0.871  1.0
  Cl  Cl15  1  0.794  0.439  0.371  1.0
  O  O16  1  0.451  0.481  0.136  1.0
  O  O17  1  0.481  0.451  0.636  1.0
  O  O18  1  0.566  0.899  0.188  1.0
  O  O19  1  0.899  0.566  0.688  1.0
  O  O20  1  0.259  0.989  0.148  1.0
  O  O21  1  0.989  0.259  0.648  1.0
  O  O22  1  0.145  0.578  0.161  1.0
  O  O23  1  0.578  0.145  0.661  1.0
  O  O24  1  0.829  0.759  0.117  1.0
  O  O25  1  0.759  0.829  0.617  1.0
  O  O26  1  0.029  0.176  0.120  1.0
  O  O27  1  0.176  0.029  0.620  1.0
  O  O28  1  0.346  0.894  0.373  1.0
  O  O29  1  0.894  0.346  0.873  1.0
  O  O30  1  0.293  0.444  0.349  1.0
  O  O31  1  0.444  0.293  0.849  1.0
[/CIF]
.