The material structure described by CaH24(CO)6(Br)2 is Indium-derived structured and crystallizes in the trigonal P-3 space group. The structure is zero-dimensional and consists of two hydrogen bromide atoms and one CaH24(CO)6 cluster. In the CaH24(CO)6 cluster, Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent C(1)H3O tetrahedra. C(1) is bonded to one H(2), one H(3), one H(4), and one O(1) atom to form CH3O tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are four 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 C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(1) atom. O(1) is bonded in a 3-coordinate geometry to one Ca(1), one C(1), and one H(1) atom. is represented by the CIF card [CIF]
data_CaH24C6(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.295
_cell_length_b   8.606
_cell_length_c   8.606
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.925
_cell_formula_units_Z   1
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  0.500  0.000  0.000  1.0
  H  H1  1  0.323  0.117  0.363  1.0
  H  H2  1  0.323  0.637  0.754  1.0
  H  H3  1  0.323  0.246  0.883  1.0
  H  H4  1  0.677  0.883  0.637  1.0
  H  H5  1  0.677  0.363  0.246  1.0
  H  H6  1  0.677  0.754  0.117  1.0
  H  H7  1  0.308  0.806  0.293  1.0
  H  H8  1  0.308  0.707  0.514  1.0
  H  H9  1  0.308  0.486  0.194  1.0
  H  H10  1  0.692  0.194  0.707  1.0
  H  H11  1  0.692  0.293  0.486  1.0
  H  H12  1  0.692  0.514  0.806  1.0
  H  H13  1  0.094  0.918  0.312  1.0
  H  H14  1  0.094  0.688  0.606  1.0
  H  H15  1  0.094  0.394  0.082  1.0
  H  H16  1  0.906  0.082  0.688  1.0
  H  H17  1  0.906  0.312  0.394  1.0
  H  H18  1  0.906  0.606  0.918  1.0
  H  H19  1  0.190  0.771  0.096  1.0
  H  H20  1  0.190  0.904  0.675  1.0
  H  H21  1  0.190  0.325  0.229  1.0
  H  H22  1  0.810  0.229  0.904  1.0
  H  H23  1  0.810  0.096  0.325  1.0
  H  H24  1  0.810  0.675  0.771  1.0
  C  C25  1  0.222  0.870  0.236  1.0
  C  C26  1  0.222  0.764  0.634  1.0
  C  C27  1  0.222  0.366  0.130  1.0
  C  C28  1  0.778  0.130  0.764  1.0
  C  C29  1  0.778  0.236  0.366  1.0
  C  C30  1  0.778  0.634  0.870  1.0
  Br  Br31  1  0.283  0.333  0.667  1.0
  Br  Br32  1  0.717  0.667  0.333  1.0
  O  O33  1  0.320  0.017  0.237  1.0
  O  O34  1  0.320  0.763  0.780  1.0
  O  O35  1  0.320  0.220  0.983  1.0
  O  O36  1  0.680  0.983  0.763  1.0
  O  O37  1  0.680  0.237  0.220  1.0
  O  O38  1  0.680  0.780  0.017  1.0
[/CIF]
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The material structure described by CaH24(CO)6(Br)2 is Indium-derived structured and crystallizes in the trigonal P-3 space group. The structure is zero-dimensional and consists of two hydrogen bromide atoms and one CaH24(CO)6 cluster. In the CaH24(CO)6 cluster, Ca(1) is bonded to six equivalent O(1) atoms to form CaO6 octahedra that share corners with six equivalent C(1)H3O tetrahedra. C(1) is bonded to one H(2), one H(3), one H(4), and one O(1) atom to form CH3O tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are four 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 C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(1) atom. O(1) is bonded in a 3-coordinate geometry to one Ca(1), one C(1), and one H(1) atom. is represented by the CIF card [CIF]
data_CaH24C6(BrO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.295
_cell_length_b   8.606
_cell_length_c   8.606
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.925
_cell_formula_units_Z   1
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  0.500  0.000  0.000  1.0
  H  H1  1  0.323  0.117  0.363  1.0
  H  H2  1  0.323  0.637  0.754  1.0
  H  H3  1  0.323  0.246  0.883  1.0
  H  H4  1  0.677  0.883  0.637  1.0
  H  H5  1  0.677  0.363  0.246  1.0
  H  H6  1  0.677  0.754  0.117  1.0
  H  H7  1  0.308  0.806  0.293  1.0
  H  H8  1  0.308  0.707  0.514  1.0
  H  H9  1  0.308  0.486  0.194  1.0
  H  H10  1  0.692  0.194  0.707  1.0
  H  H11  1  0.692  0.293  0.486  1.0
  H  H12  1  0.692  0.514  0.806  1.0
  H  H13  1  0.094  0.918  0.312  1.0
  H  H14  1  0.094  0.688  0.606  1.0
  H  H15  1  0.094  0.394  0.082  1.0
  H  H16  1  0.906  0.082  0.688  1.0
  H  H17  1  0.906  0.312  0.394  1.0
  H  H18  1  0.906  0.606  0.918  1.0
  H  H19  1  0.190  0.771  0.096  1.0
  H  H20  1  0.190  0.904  0.675  1.0
  H  H21  1  0.190  0.325  0.229  1.0
  H  H22  1  0.810  0.229  0.904  1.0
  H  H23  1  0.810  0.096  0.325  1.0
  H  H24  1  0.810  0.675  0.771  1.0
  C  C25  1  0.222  0.870  0.236  1.0
  C  C26  1  0.222  0.764  0.634  1.0
  C  C27  1  0.222  0.366  0.130  1.0
  C  C28  1  0.778  0.130  0.764  1.0
  C  C29  1  0.778  0.236  0.366  1.0
  C  C30  1  0.778  0.634  0.870  1.0
  Br  Br31  1  0.283  0.333  0.667  1.0
  Br  Br32  1  0.717  0.667  0.333  1.0
  O  O33  1  0.320  0.017  0.237  1.0
  O  O34  1  0.320  0.763  0.780  1.0
  O  O35  1  0.320  0.220  0.983  1.0
  O  O36  1  0.680  0.983  0.763  1.0
  O  O37  1  0.680  0.237  0.220  1.0
  O  O38  1  0.680  0.780  0.017  1.0
[/CIF]
.