The compound described by MnF2 crystallizes in the tetragonal P-42m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of corner and edge-sharing FMn4 tetrahedra. In the second F site, F(2) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. is represented by the CIF file [CIF]
data_MnF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.284
_cell_length_b   5.284
_cell_length_c   5.260
_cell_angle_alpha   90.005
_cell_angle_beta   90.002
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.874
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.500  0.500  1.000  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  1.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  1.000  0.500  1.0
  F  F4  1  0.277  0.723  0.760  1.0
  F  F5  1  0.723  0.277  0.760  1.0
  F  F6  1  0.782  0.782  0.731  1.0
  F  F7  1  0.218  0.218  0.731  1.0
  F  F8  1  0.723  0.723  0.240  1.0
  F  F9  1  0.782  0.218  0.269  1.0
  F  F10  1  0.218  0.782  0.269  1.0
  F  F11  1  0.277  0.277  0.240  1.0
[/CIF]
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The compound described by MnF2 crystallizes in the tetragonal P-42m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of corner and edge-sharing FMn4 tetrahedra. In the second F site, F(2) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. is represented by the CIF file [CIF]
data_MnF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.284
_cell_length_b   5.284
_cell_length_c   5.260
_cell_angle_alpha   90.005
_cell_angle_beta   90.002
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.874
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.500  0.500  1.000  1.0
  Mn  Mn1  1  0.000  0.000  0.000  1.0
  Mn  Mn2  1  1.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  1.000  0.500  1.0
  F  F4  1  0.277  0.723  0.760  1.0
  F  F5  1  0.723  0.277  0.760  1.0
  F  F6  1  0.782  0.782  0.731  1.0
  F  F7  1  0.218  0.218  0.731  1.0
  F  F8  1  0.723  0.723  0.240  1.0
  F  F9  1  0.782  0.218  0.269  1.0
  F  F10  1  0.218  0.782  0.269  1.0
  F  F11  1  0.277  0.277  0.240  1.0
[/CIF]
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