The crystal structure described by BaCaI4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. I(1) is bonded to two equivalent Ba(1) and two equivalent Ca(1) atoms to form a mixture of corner and edge-sharing IBa2Ca2 tetrahedra. is represented by the CIF card [CIF]
data_BaCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   5.700
_cell_length_c   8.168
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.436
_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
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.500  1.0
  I  I2  1  0.000  0.500  0.265  1.0
  I  I3  1  0.500  0.000  0.265  1.0
  I  I4  1  0.000  0.500  0.735  1.0
  I  I5  1  0.500  0.000  0.735  1.0
[/CIF]
.
The crystal structure described by BaCaI4 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent I(1) atoms. I(1) is bonded to two equivalent Ba(1) and two equivalent Ca(1) atoms to form a mixture of corner and edge-sharing IBa2Ca2 tetrahedra. is represented by the CIF card [CIF]
data_BaCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.700
_cell_length_b   5.700
_cell_length_c   8.168
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.436
_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
  Ba  Ba0  1  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.500  1.0
  I  I2  1  0.000  0.500  0.265  1.0
  I  I3  1  0.500  0.000  0.265  1.0
  I  I4  1  0.000  0.500  0.735  1.0
  I  I5  1  0.500  0.000  0.735  1.0
[/CIF]
.