The material described by MgCoF6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent F(1) atoms to form MgF6 octahedra that share corners with six equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles are 35°. Co(1) is bonded to six equivalent F(1) atoms to form CoF6 octahedra that share corners with six equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles are 35°. F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.295
_cell_length_b   5.295
_cell_length_c   5.295
_cell_angle_alpha   56.579
_cell_angle_beta   56.579
_cell_angle_gamma   56.579
_symmetry_Int_Tables_number   1
_cell_volume   96.650
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.646  0.874  0.240  1.0
  F  F3  1  0.874  0.240  0.646  1.0
  F  F4  1  0.760  0.354  0.126  1.0
  F  F5  1  0.126  0.760  0.354  1.0
  F  F6  1  0.354  0.126  0.760  1.0
  F  F7  1  0.240  0.646  0.874  1.0
[/CIF]
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The material described by MgCoF6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent F(1) atoms to form MgF6 octahedra that share corners with six equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles are 35°. Co(1) is bonded to six equivalent F(1) atoms to form CoF6 octahedra that share corners with six equivalent Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles are 35°. F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.295
_cell_length_b   5.295
_cell_length_c   5.295
_cell_angle_alpha   56.579
_cell_angle_beta   56.579
_cell_angle_gamma   56.579
_symmetry_Int_Tables_number   1
_cell_volume   96.650
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.646  0.874  0.240  1.0
  F  F3  1  0.874  0.240  0.646  1.0
  F  F4  1  0.760  0.354  0.126  1.0
  F  F5  1  0.126  0.760  0.354  1.0
  F  F6  1  0.354  0.126  0.760  1.0
  F  F7  1  0.240  0.646  0.874  1.0
[/CIF]
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