The crystal structure described by Cs3Ca crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to eight Cs(1,1,1) and two equivalent Ca(1) atoms. In the second Cs site, Cs(1) is bonded in a 10-coordinate geometry to eight Cs(1,1) and two equivalent Ca(1) atoms. In the third Cs site, Cs(1) is bonded in a 10-coordinate geometry to eight Cs(1,1) and two equivalent Ca(1) atoms. Ca(1) is bonded in a 6-coordinate geometry to six equivalent Cs(1) atoms. is represented by the CIF card [CIF]
data_Cs3Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.191
_cell_length_b   10.191
_cell_length_c   7.967
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   716.632
_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
  Cs  Cs0  1  0.173  0.346  0.250  1.0
  Cs  Cs1  1  0.654  0.827  0.250  1.0
  Cs  Cs2  1  0.173  0.827  0.250  1.0
  Cs  Cs3  1  0.827  0.654  0.750  1.0
  Cs  Cs4  1  0.346  0.173  0.750  1.0
  Cs  Cs5  1  0.827  0.173  0.750  1.0
  Ca  Ca6  1  0.333  0.667  0.750  1.0
  Ca  Ca7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The crystal structure described by Cs3Ca crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to eight Cs(1,1,1) and two equivalent Ca(1) atoms. In the second Cs site, Cs(1) is bonded in a 10-coordinate geometry to eight Cs(1,1) and two equivalent Ca(1) atoms. In the third Cs site, Cs(1) is bonded in a 10-coordinate geometry to eight Cs(1,1) and two equivalent Ca(1) atoms. Ca(1) is bonded in a 6-coordinate geometry to six equivalent Cs(1) atoms. is represented by the CIF card [CIF]
data_Cs3Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.191
_cell_length_b   10.191
_cell_length_c   7.967
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   716.632
_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
  Cs  Cs0  1  0.173  0.346  0.250  1.0
  Cs  Cs1  1  0.654  0.827  0.250  1.0
  Cs  Cs2  1  0.173  0.827  0.250  1.0
  Cs  Cs3  1  0.827  0.654  0.750  1.0
  Cs  Cs4  1  0.346  0.173  0.750  1.0
  Cs  Cs5  1  0.827  0.173  0.750  1.0
  Ca  Ca6  1  0.333  0.667  0.750  1.0
  Ca  Ca7  1  0.667  0.333  0.250  1.0
[/CIF]
.