The compound described by MnF3 crystallizes in the orthorhombic Pbam space group. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.871
_cell_length_b   5.403
_cell_length_c   5.595
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   117.046
_cell_formula_units_Z   2
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  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  F  F2  1  0.000  0.500  0.000  1.0
  F  F3  1  0.500  0.281  0.310  1.0
  F  F4  1  0.500  0.219  0.810  1.0
  F  F5  1  0.000  0.000  0.500  1.0
  F  F6  1  0.500  0.781  0.190  1.0
  F  F7  1  0.500  0.719  0.690  1.0
[/CIF]
.
The compound described by MnF3 crystallizes in the orthorhombic Pbam space group. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 0-21°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.871
_cell_length_b   5.403
_cell_length_c   5.595
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   117.046
_cell_formula_units_Z   2
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  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  F  F2  1  0.000  0.500  0.000  1.0
  F  F3  1  0.500  0.281  0.310  1.0
  F  F4  1  0.500  0.219  0.810  1.0
  F  F5  1  0.000  0.000  0.500  1.0
  F  F6  1  0.500  0.781  0.190  1.0
  F  F7  1  0.500  0.719  0.690  1.0
[/CIF]
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