The compound described by CaCoF4 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Co(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Co(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCoF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   6.521
_cell_length_c   5.446
_cell_angle_alpha   66.133
_cell_angle_beta   66.133
_cell_angle_gamma   49.345
_symmetry_Int_Tables_number   1
_cell_volume   157.306
_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  0.745  0.255  0.750  1.0
  Ca  Ca1  1  0.255  0.745  0.250  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  F  F4  1  0.680  0.572  0.322  1.0
  F  F5  1  0.936  0.822  0.055  1.0
  F  F6  1  0.320  0.428  0.678  1.0
  F  F7  1  0.428  0.320  0.178  1.0
  F  F8  1  0.064  0.178  0.945  1.0
  F  F9  1  0.178  0.064  0.445  1.0
  F  F10  1  0.572  0.680  0.822  1.0
  F  F11  1  0.822  0.936  0.555  1.0
[/CIF]
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The compound described by CaCoF4 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. Co(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Co(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaCoF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.521
_cell_length_b   6.521
_cell_length_c   5.446
_cell_angle_alpha   66.133
_cell_angle_beta   66.133
_cell_angle_gamma   49.345
_symmetry_Int_Tables_number   1
_cell_volume   157.306
_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  0.745  0.255  0.750  1.0
  Ca  Ca1  1  0.255  0.745  0.250  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  F  F4  1  0.680  0.572  0.322  1.0
  F  F5  1  0.936  0.822  0.055  1.0
  F  F6  1  0.320  0.428  0.678  1.0
  F  F7  1  0.428  0.320  0.178  1.0
  F  F8  1  0.064  0.178  0.945  1.0
  F  F9  1  0.178  0.064  0.445  1.0
  F  F10  1  0.572  0.680  0.822  1.0
  F  F11  1  0.822  0.936  0.555  1.0
[/CIF]
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