The structure described by CoF3 is alpha Rhenium trioxide structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(3), one F(4), two equivalent F(2), and two equivalent F(6) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Co site, Co(2) is bonded to one F(4), one F(5), two equivalent F(1), and two equivalent F(6) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a linear geometry to two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Co(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Co(1) and one Co(2) atom. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Co(2) atoms. In the sixth F site, F(6) is bonded in a linear geometry to one Co(1) and one Co(2) atom. is represented by the CIF card [CIF]
data_CoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.824
_cell_length_b   3.844
_cell_length_c   3.874
_cell_angle_alpha   89.737
_cell_angle_beta   89.861
_cell_angle_gamma   89.934
_symmetry_Int_Tables_number   1
_cell_volume   56.949
_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
  Co  Co0  1  1.000  0.000  0.000  1.0
  F  F1  1  0.000  1.000  0.500  1.0
  F  F2  1  0.000  0.500  1.000  1.0
  F  F3  1  0.500  0.000  0.000  1.0
[/CIF]
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The structure described by CoF3 is alpha Rhenium trioxide structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(3), one F(4), two equivalent F(2), and two equivalent F(6) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second Co site, Co(2) is bonded to one F(4), one F(5), two equivalent F(1), and two equivalent F(6) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are six inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Co(2) atoms. In the second F site, F(2) is bonded in a linear geometry to two equivalent Co(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Co(1) atoms. In the fourth F site, F(4) is bonded in a linear geometry to one Co(1) and one Co(2) atom. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Co(2) atoms. In the sixth F site, F(6) is bonded in a linear geometry to one Co(1) and one Co(2) atom. is represented by the CIF card [CIF]
data_CoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.824
_cell_length_b   3.844
_cell_length_c   3.874
_cell_angle_alpha   89.737
_cell_angle_beta   89.861
_cell_angle_gamma   89.934
_symmetry_Int_Tables_number   1
_cell_volume   56.949
_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
  Co  Co0  1  1.000  0.000  0.000  1.0
  F  F1  1  0.000  1.000  0.500  1.0
  F  F2  1  0.000  0.500  1.000  1.0
  F  F3  1  0.500  0.000  0.000  1.0
[/CIF]
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