The crystal structure described by CoF3 crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. In the second Co site, Co(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   5.203
_cell_length_c   5.149
_cell_angle_alpha   55.116
_cell_angle_beta   54.996
_cell_angle_gamma   55.514
_symmetry_Int_Tables_number   1
_cell_volume   86.984
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.750  0.124  0.387  1.0
  F  F3  1  0.395  0.744  0.116  1.0
  F  F4  1  0.120  0.385  0.744  1.0
  F  F5  1  0.250  0.876  0.613  1.0
  F  F6  1  0.605  0.256  0.884  1.0
  F  F7  1  0.880  0.615  0.256  1.0
[/CIF]
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The crystal structure described by CoF3 crystallizes in the triclinic P-1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. In the second Co site, Co(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 39-41°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Co(1) and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   5.203
_cell_length_c   5.149
_cell_angle_alpha   55.116
_cell_angle_beta   54.996
_cell_angle_gamma   55.514
_symmetry_Int_Tables_number   1
_cell_volume   86.984
_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
  Co  Co0  1  0.000  0.000  0.000  1.0
  Co  Co1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.750  0.124  0.387  1.0
  F  F3  1  0.395  0.744  0.116  1.0
  F  F4  1  0.120  0.385  0.744  1.0
  F  F5  1  0.250  0.876  0.613  1.0
  F  F6  1  0.605  0.256  0.884  1.0
  F  F7  1  0.880  0.615  0.256  1.0
[/CIF]
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