The material structure described by CaF3 crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to twelve equivalent F(1) atoms to form a mixture of corner and face-sharing CaF12 cuboctahedra. F(1) is bonded in a see-saw-like geometry to four equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_CaF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.942
_cell_length_b   4.942
_cell_length_c   4.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   95.341
_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  0.333  0.667  0.750  1.0
  Ca  Ca1  1  0.667  0.333  0.250  1.0
  F  F2  1  0.176  0.353  0.250  1.0
  F  F3  1  0.647  0.824  0.250  1.0
  F  F4  1  0.176  0.824  0.250  1.0
  F  F5  1  0.824  0.647  0.750  1.0
  F  F6  1  0.353  0.176  0.750  1.0
  F  F7  1  0.824  0.176  0.750  1.0
[/CIF]
.
The material structure described by CaF3 crystallizes in the hexagonal P6_3/mmc space group. Ca(1) is bonded to twelve equivalent F(1) atoms to form a mixture of corner and face-sharing CaF12 cuboctahedra. F(1) is bonded in a see-saw-like geometry to four equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_CaF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.942
_cell_length_b   4.942
_cell_length_c   4.507
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   95.341
_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  0.333  0.667  0.750  1.0
  Ca  Ca1  1  0.667  0.333  0.250  1.0
  F  F2  1  0.176  0.353  0.250  1.0
  F  F3  1  0.647  0.824  0.250  1.0
  F  F4  1  0.176  0.824  0.250  1.0
  F  F5  1  0.824  0.647  0.750  1.0
  F  F6  1  0.353  0.176  0.750  1.0
  F  F7  1  0.824  0.176  0.750  1.0
[/CIF]
.