The compound described by BaCaI4 crystallizes in the tetragonal I4_1/a space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent I(1) atoms. Ca(1) is bonded in a tetrahedral geometry to four equivalent I(1) atoms. I(1) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Ca(1) atom. is represented by the CIF card [CIF]
data_BaCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.318
_cell_length_b   10.318
_cell_length_c   10.318
_cell_angle_alpha   133.396
_cell_angle_beta   133.396
_cell_angle_gamma   68.033
_symmetry_Int_Tables_number   1
_cell_volume   569.855
_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
  Ba  Ba0  1  0.250  0.750  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Ca  Ca2  1  0.000  0.000  0.000  1.0
  Ca  Ca3  1  0.750  0.250  0.500  1.0
  I  I4  1  0.109  0.162  0.599  1.0
  I  I5  1  0.912  0.812  0.552  1.0
  I  I6  1  0.260  0.359  0.448  1.0
  I  I7  1  0.188  0.740  0.099  1.0
  I  I8  1  0.562  0.510  0.401  1.0
  I  I9  1  0.490  0.891  0.052  1.0
  I  I10  1  0.838  0.438  0.948  1.0
  I  I11  1  0.641  0.088  0.901  1.0
[/CIF]
.
The compound described by BaCaI4 crystallizes in the tetragonal I4_1/a space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent I(1) atoms. Ca(1) is bonded in a tetrahedral geometry to four equivalent I(1) atoms. I(1) is bonded in a trigonal planar geometry to two equivalent Ba(1) and one Ca(1) atom. is represented by the CIF card [CIF]
data_BaCaI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.318
_cell_length_b   10.318
_cell_length_c   10.318
_cell_angle_alpha   133.396
_cell_angle_beta   133.396
_cell_angle_gamma   68.033
_symmetry_Int_Tables_number   1
_cell_volume   569.855
_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
  Ba  Ba0  1  0.250  0.750  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Ca  Ca2  1  0.000  0.000  0.000  1.0
  Ca  Ca3  1  0.750  0.250  0.500  1.0
  I  I4  1  0.109  0.162  0.599  1.0
  I  I5  1  0.912  0.812  0.552  1.0
  I  I6  1  0.260  0.359  0.448  1.0
  I  I7  1  0.188  0.740  0.099  1.0
  I  I8  1  0.562  0.510  0.401  1.0
  I  I9  1  0.490  0.891  0.052  1.0
  I  I10  1  0.838  0.438  0.948  1.0
  I  I11  1  0.641  0.088  0.901  1.0
[/CIF]
.