The crystal structure described by CoF3 is alpha Rhenium trioxide structured and crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(10), one F(12), one F(3), one F(4), one F(5), and one F(6) atom to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Co site, Co(2) is bonded to one F(1), one F(11), one F(4), one F(6), one F(7), and one F(9) atom to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third Co site, Co(3) is bonded to one F(1), one F(10), one F(12), one F(2), one F(7), and one F(8) atom to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth Co site, Co(4) is bonded to one F(11), one F(2), one F(3), one F(5), one F(8), and one F(9) atom to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Co(2) and one Co(3) atom. In the second F site, F(2) is bonded in a linear geometry to one Co(3) and one Co(4) atom. In the third F site, F(3) is bonded in a linear geometry to one Co(1) and one Co(4) atom. 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 one Co(1) and one Co(4) atom. In the sixth F site, F(6) is bonded in a linear geometry to one Co(1) and one Co(2) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Co(2) and one Co(3) atom. In the eighth F site, F(8) is bonded in a linear geometry to one Co(3) and one Co(4) atom. In the ninth F site, F(9) is bonded in a linear geometry to one Co(2) and one Co(4) atom. In the tenth F site, F(10) is bonded in a linear geometry to one Co(1) and one Co(3) atom. In the eleventh F site, F(11) is bonded in a linear geometry to one Co(2) and one Co(4) atom. In the twelfth F site, F(12) is bonded in a linear geometry to one Co(1) and one Co(3) atom. is represented by the CIF card [CIF]
data_CoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.843
_cell_length_b   3.848
_cell_length_c   3.864
_cell_angle_alpha   90.004
_cell_angle_beta   90.035
_cell_angle_gamma   90.568
_symmetry_Int_Tables_number   1
_cell_volume   57.132
_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  0.001  1.000  0.001  1.0
  F  F1  1  0.499  0.000  0.999  1.0
  F  F2  1  0.999  0.000  0.499  1.0
  F  F3  1  1.000  0.500  0.000  1.0
[/CIF]
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The crystal structure described by CoF3 is alpha Rhenium trioxide structured and crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one F(10), one F(12), one F(3), one F(4), one F(5), and one F(6) atom to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Co site, Co(2) is bonded to one F(1), one F(11), one F(4), one F(6), one F(7), and one F(9) atom to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third Co site, Co(3) is bonded to one F(1), one F(10), one F(12), one F(2), one F(7), and one F(8) atom to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth Co site, Co(4) is bonded to one F(11), one F(2), one F(3), one F(5), one F(8), and one F(9) atom to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Co(2) and one Co(3) atom. In the second F site, F(2) is bonded in a linear geometry to one Co(3) and one Co(4) atom. In the third F site, F(3) is bonded in a linear geometry to one Co(1) and one Co(4) atom. 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 one Co(1) and one Co(4) atom. In the sixth F site, F(6) is bonded in a linear geometry to one Co(1) and one Co(2) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Co(2) and one Co(3) atom. In the eighth F site, F(8) is bonded in a linear geometry to one Co(3) and one Co(4) atom. In the ninth F site, F(9) is bonded in a linear geometry to one Co(2) and one Co(4) atom. In the tenth F site, F(10) is bonded in a linear geometry to one Co(1) and one Co(3) atom. In the eleventh F site, F(11) is bonded in a linear geometry to one Co(2) and one Co(4) atom. In the twelfth F site, F(12) is bonded in a linear geometry to one Co(1) and one Co(3) atom. is represented by the CIF card [CIF]
data_CoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.843
_cell_length_b   3.848
_cell_length_c   3.864
_cell_angle_alpha   90.004
_cell_angle_beta   90.035
_cell_angle_gamma   90.568
_symmetry_Int_Tables_number   1
_cell_volume   57.132
_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  0.001  1.000  0.001  1.0
  F  F1  1  0.499  0.000  0.999  1.0
  F  F2  1  0.999  0.000  0.499  1.0
  F  F3  1  1.000  0.500  0.000  1.0
[/CIF]
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