The crystal structure described by CaBr2 is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. Ca(1) is bonded to six equivalent Br(1) atoms to form a mixture of corner and edge-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles are 50°. Br(1) is bonded in a distorted trigonal planar geometry to three equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_CaBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.366
_cell_length_b   6.655
_cell_length_c   6.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.634
_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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  Br  Br2  1  0.000  0.275  0.327  1.0
  Br  Br3  1  0.000  0.725  0.673  1.0
  Br  Br4  1  0.500  0.775  0.173  1.0
  Br  Br5  1  0.500  0.225  0.827  1.0
[/CIF]
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The crystal structure described by CaBr2 is Hydrophilite structured and crystallizes in the orthorhombic Pnnm space group. Ca(1) is bonded to six equivalent Br(1) atoms to form a mixture of corner and edge-sharing CaBr6 octahedra. The corner-sharing octahedral tilt angles are 50°. Br(1) is bonded in a distorted trigonal planar geometry to three equivalent Ca(1) atoms. is represented by the CIF file [CIF]
data_CaBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.366
_cell_length_b   6.655
_cell_length_c   6.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.634
_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  0.000  0.000  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.500  1.0
  Br  Br2  1  0.000  0.275  0.327  1.0
  Br  Br3  1  0.000  0.725  0.673  1.0
  Br  Br4  1  0.500  0.775  0.173  1.0
  Br  Br5  1  0.500  0.225  0.827  1.0
[/CIF]
.