The material described by MnF3 crystallizes in the tetragonal P4_2/mnm space group. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a water-like 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 Crystallographic Information File (CIF) [CIF]
data_MnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.000
_cell_length_b   5.000
_cell_length_c   8.776
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.382
_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  0.000  0.000  0.826  1.0
  Mn  Mn1  1  0.500  0.500  0.674  1.0
  Mn  Mn2  1  0.500  0.500  0.326  1.0
  Mn  Mn3  1  0.000  0.000  0.174  1.0
  F  F4  1  0.827  0.827  0.000  1.0
  F  F5  1  0.699  0.301  0.814  1.0
  F  F6  1  0.301  0.699  0.814  1.0
  F  F7  1  0.199  0.199  0.686  1.0
  F  F8  1  0.801  0.801  0.686  1.0
  F  F9  1  0.673  0.327  0.500  1.0
  F  F10  1  0.327  0.673  0.500  1.0
  F  F11  1  0.199  0.199  0.314  1.0
  F  F12  1  0.801  0.801  0.314  1.0
  F  F13  1  0.699  0.301  0.186  1.0
  F  F14  1  0.301  0.699  0.186  1.0
  F  F15  1  0.173  0.173  0.000  1.0
[/CIF]
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The material described by MnF3 crystallizes in the tetragonal P4_2/mnm space group. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a water-like 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 Crystallographic Information File (CIF) [CIF]
data_MnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.000
_cell_length_b   5.000
_cell_length_c   8.776
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.382
_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  0.000  0.000  0.826  1.0
  Mn  Mn1  1  0.500  0.500  0.674  1.0
  Mn  Mn2  1  0.500  0.500  0.326  1.0
  Mn  Mn3  1  0.000  0.000  0.174  1.0
  F  F4  1  0.827  0.827  0.000  1.0
  F  F5  1  0.699  0.301  0.814  1.0
  F  F6  1  0.301  0.699  0.814  1.0
  F  F7  1  0.199  0.199  0.686  1.0
  F  F8  1  0.801  0.801  0.686  1.0
  F  F9  1  0.673  0.327  0.500  1.0
  F  F10  1  0.327  0.673  0.500  1.0
  F  F11  1  0.199  0.199  0.314  1.0
  F  F12  1  0.801  0.801  0.314  1.0
  F  F13  1  0.699  0.301  0.186  1.0
  F  F14  1  0.301  0.699  0.186  1.0
  F  F15  1  0.173  0.173  0.000  1.0
[/CIF]
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