The structure described by CaCrF6 crystallizes in the triclinic P-1 space group. Ca(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CaF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. Cr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CrF6 octahedra that share corners with six equivalent Ca(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one Cr(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.627
_cell_length_b   5.633
_cell_length_c   5.641
_cell_angle_alpha   55.453
_cell_angle_beta   55.455
_cell_angle_gamma   55.376
_symmetry_Int_Tables_number   1
_cell_volume   113.022
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.353  0.085  0.786  1.0
  F  F3  1  0.086  0.785  0.353  1.0
  F  F4  1  0.216  0.647  0.914  1.0
  F  F5  1  0.914  0.215  0.647  1.0
  F  F6  1  0.647  0.915  0.214  1.0
  F  F7  1  0.784  0.353  0.086  1.0
[/CIF]
.
The structure described by CaCrF6 crystallizes in the triclinic P-1 space group. Ca(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CaF6 octahedra that share corners with six equivalent Cr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. Cr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CrF6 octahedra that share corners with six equivalent Ca(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Ca(1) and one Cr(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one Cr(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCrF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.627
_cell_length_b   5.633
_cell_length_c   5.641
_cell_angle_alpha   55.453
_cell_angle_beta   55.455
_cell_angle_gamma   55.376
_symmetry_Int_Tables_number   1
_cell_volume   113.022
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.353  0.085  0.786  1.0
  F  F3  1  0.086  0.785  0.353  1.0
  F  F4  1  0.216  0.647  0.914  1.0
  F  F5  1  0.914  0.215  0.647  1.0
  F  F6  1  0.647  0.915  0.214  1.0
  F  F7  1  0.784  0.353  0.086  1.0
[/CIF]
.