The material described by MnF3 crystallizes in the orthorhombic Pnma 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 35-36°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees 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   4.993
_cell_length_b   5.486
_cell_length_c   7.293
_cell_angle_alpha   89.998
_cell_angle_beta   89.997
_cell_angle_gamma   90.023
_symmetry_Int_Tables_number   1
_cell_volume   199.805
_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  0.500  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  F  F4  1  0.116  0.511  0.250  1.0
  F  F5  1  0.204  0.822  0.944  1.0
  F  F6  1  0.205  0.822  0.556  1.0
  F  F7  1  0.295  0.322  0.944  1.0
  F  F8  1  0.295  0.322  0.556  1.0
  F  F9  1  0.384  0.012  0.250  1.0
  F  F10  1  0.616  0.988  0.750  1.0
  F  F11  1  0.705  0.678  0.056  1.0
  F  F12  1  0.705  0.678  0.444  1.0
  F  F13  1  0.796  0.178  0.056  1.0
  F  F14  1  0.795  0.178  0.444  1.0
  F  F15  1  0.884  0.489  0.750  1.0
[/CIF]
.
The material described by MnF3 crystallizes in the orthorhombic Pnma 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 35-36°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees 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   4.993
_cell_length_b   5.486
_cell_length_c   7.293
_cell_angle_alpha   89.998
_cell_angle_beta   89.997
_cell_angle_gamma   90.023
_symmetry_Int_Tables_number   1
_cell_volume   199.805
_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  0.500  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  F  F4  1  0.116  0.511  0.250  1.0
  F  F5  1  0.204  0.822  0.944  1.0
  F  F6  1  0.205  0.822  0.556  1.0
  F  F7  1  0.295  0.322  0.944  1.0
  F  F8  1  0.295  0.322  0.556  1.0
  F  F9  1  0.384  0.012  0.250  1.0
  F  F10  1  0.616  0.988  0.750  1.0
  F  F11  1  0.705  0.678  0.056  1.0
  F  F12  1  0.705  0.678  0.444  1.0
  F  F13  1  0.796  0.178  0.056  1.0
  F  F14  1  0.795  0.178  0.444  1.0
  F  F15  1  0.884  0.489  0.750  1.0
[/CIF]
.