The material described by CoF3 is alpha Rhenium trioxide structured and crystallizes in the monoclinic C2/c space group. Co(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Co(1) 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 two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_CoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.835
_cell_length_b   3.835
_cell_length_c   3.854
_cell_angle_alpha   89.685
_cell_angle_beta   89.684
_cell_angle_gamma   90.087
_symmetry_Int_Tables_number   1
_cell_volume   56.672
_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  0.000  0.000  0.000  1.0
  F  F1  1  0.000  0.500  1.000  1.0
  F  F2  1  0.000  1.000  0.500  1.0
  F  F3  1  0.500  0.000  0.000  1.0
[/CIF]
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The material described by CoF3 is alpha Rhenium trioxide structured and crystallizes in the monoclinic C2/c space group. Co(1) is bonded to one F(3), one F(4), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing CoF6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Co(1) 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 two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_CoF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.835
_cell_length_b   3.835
_cell_length_c   3.854
_cell_angle_alpha   89.685
_cell_angle_beta   89.684
_cell_angle_gamma   90.087
_symmetry_Int_Tables_number   1
_cell_volume   56.672
_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  0.000  0.000  0.000  1.0
  F  F1  1  0.000  0.500  1.000  1.0
  F  F2  1  0.000  1.000  0.500  1.0
  F  F3  1  0.500  0.000  0.000  1.0
[/CIF]
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