The material described by MnF3 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. There are three 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. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.829
_cell_length_b   4.810
_cell_length_c   10.107
_cell_angle_alpha   65.185
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.082
_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  0.497  0.325  0.172  1.0
  Mn  Mn1  1  0.997  0.675  0.328  1.0
  Mn  Mn2  1  0.003  0.325  0.672  1.0
  Mn  Mn3  1  0.503  0.675  0.828  1.0
  F  F4  1  0.680  0.298  0.015  1.0
  F  F5  1  0.225  0.047  0.173  1.0
  F  F6  1  0.789  0.596  0.185  1.0
  F  F7  1  0.289  0.404  0.315  1.0
  F  F8  1  0.725  0.953  0.327  1.0
  F  F9  1  0.180  0.702  0.485  1.0
  F  F10  1  0.820  0.298  0.515  1.0
  F  F11  1  0.275  0.047  0.673  1.0
  F  F12  1  0.711  0.596  0.685  1.0
  F  F13  1  0.211  0.404  0.815  1.0
  F  F14  1  0.775  0.953  0.827  1.0
  F  F15  1  0.320  0.702  0.985  1.0
[/CIF]
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The material described by MnF3 crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. There are three 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. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MnF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.829
_cell_length_b   4.810
_cell_length_c   10.107
_cell_angle_alpha   65.185
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   213.082
_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  0.497  0.325  0.172  1.0
  Mn  Mn1  1  0.997  0.675  0.328  1.0
  Mn  Mn2  1  0.003  0.325  0.672  1.0
  Mn  Mn3  1  0.503  0.675  0.828  1.0
  F  F4  1  0.680  0.298  0.015  1.0
  F  F5  1  0.225  0.047  0.173  1.0
  F  F6  1  0.789  0.596  0.185  1.0
  F  F7  1  0.289  0.404  0.315  1.0
  F  F8  1  0.725  0.953  0.327  1.0
  F  F9  1  0.180  0.702  0.485  1.0
  F  F10  1  0.820  0.298  0.515  1.0
  F  F11  1  0.275  0.047  0.673  1.0
  F  F12  1  0.711  0.596  0.685  1.0
  F  F13  1  0.211  0.404  0.815  1.0
  F  F14  1  0.775  0.953  0.827  1.0
  F  F15  1  0.320  0.702  0.985  1.0
[/CIF]
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