The structure described by CaF2 crystallizes in the orthorhombic Pmc2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ca(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to three equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_CaF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.533
_cell_length_b   4.167
_cell_length_c   5.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.002
_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  0.145  0.702  1.0
  Ca  Ca1  1  0.000  0.855  0.202  1.0
  F  F2  1  0.500  0.090  0.980  1.0
  F  F3  1  0.000  0.633  0.851  1.0
  F  F4  1  0.000  0.367  0.351  1.0
  F  F5  1  0.500  0.910  0.480  1.0
[/CIF]
.
The structure described by CaF2 crystallizes in the orthorhombic Pmc2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent F(2) and four equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to four equivalent Ca(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to three equivalent Ca(1) atoms. is represented by the CIF card [CIF]
data_CaF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.533
_cell_length_b   4.167
_cell_length_c   5.978
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.002
_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  0.145  0.702  1.0
  Ca  Ca1  1  0.000  0.855  0.202  1.0
  F  F2  1  0.500  0.090  0.980  1.0
  F  F3  1  0.000  0.633  0.851  1.0
  F  F4  1  0.000  0.367  0.351  1.0
  F  F5  1  0.500  0.910  0.480  1.0
[/CIF]
.