The compound described by MnF4 crystallizes in the trigonal R-3c space group. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Mn(1) atom. 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 Crystallographic Information File (CIF) [CIF]
data_MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.226
_cell_length_b   7.226
_cell_length_c   7.226
_cell_angle_alpha   86.958
_cell_angle_beta   86.958
_cell_angle_gamma   86.958
_symmetry_Int_Tables_number   1
_cell_volume   375.723
_cell_formula_units_Z   6
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  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  F  F6  1  0.943  0.057  0.730  1.0
  F  F7  1  0.943  0.270  0.057  1.0
  F  F8  1  0.443  0.557  0.770  1.0
  F  F9  1  0.250  0.437  0.063  1.0
  F  F10  1  0.938  0.562  0.250  1.0
  F  F11  1  0.438  0.750  0.062  1.0
  F  F12  1  0.230  0.557  0.443  1.0
  F  F13  1  0.730  0.943  0.057  1.0
  F  F14  1  0.557  0.770  0.443  1.0
  F  F15  1  0.937  0.750  0.563  1.0
  F  F16  1  0.437  0.063  0.250  1.0
  F  F17  1  0.250  0.938  0.562  1.0
  F  F18  1  0.750  0.062  0.438  1.0
  F  F19  1  0.563  0.937  0.750  1.0
  F  F20  1  0.063  0.250  0.437  1.0
  F  F21  1  0.443  0.230  0.557  1.0
  F  F22  1  0.270  0.057  0.943  1.0
  F  F23  1  0.770  0.443  0.557  1.0
  F  F24  1  0.562  0.250  0.938  1.0
  F  F25  1  0.062  0.438  0.750  1.0
  F  F26  1  0.750  0.563  0.937  1.0
  F  F27  1  0.557  0.443  0.230  1.0
  F  F28  1  0.057  0.730  0.943  1.0
  F  F29  1  0.057  0.943  0.270  1.0
[/CIF]
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The compound described by MnF4 crystallizes in the trigonal R-3c space group. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Mn(1) atom. 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 Crystallographic Information File (CIF) [CIF]
data_MnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.226
_cell_length_b   7.226
_cell_length_c   7.226
_cell_angle_alpha   86.958
_cell_angle_beta   86.958
_cell_angle_gamma   86.958
_symmetry_Int_Tables_number   1
_cell_volume   375.723
_cell_formula_units_Z   6
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  0.500  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  Mn  Mn2  1  0.000  0.500  0.000  1.0
  Mn  Mn3  1  0.500  0.000  0.500  1.0
  Mn  Mn4  1  0.000  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  F  F6  1  0.943  0.057  0.730  1.0
  F  F7  1  0.943  0.270  0.057  1.0
  F  F8  1  0.443  0.557  0.770  1.0
  F  F9  1  0.250  0.437  0.063  1.0
  F  F10  1  0.938  0.562  0.250  1.0
  F  F11  1  0.438  0.750  0.062  1.0
  F  F12  1  0.230  0.557  0.443  1.0
  F  F13  1  0.730  0.943  0.057  1.0
  F  F14  1  0.557  0.770  0.443  1.0
  F  F15  1  0.937  0.750  0.563  1.0
  F  F16  1  0.437  0.063  0.250  1.0
  F  F17  1  0.250  0.938  0.562  1.0
  F  F18  1  0.750  0.062  0.438  1.0
  F  F19  1  0.563  0.937  0.750  1.0
  F  F20  1  0.063  0.250  0.437  1.0
  F  F21  1  0.443  0.230  0.557  1.0
  F  F22  1  0.270  0.057  0.943  1.0
  F  F23  1  0.770  0.443  0.557  1.0
  F  F24  1  0.562  0.250  0.938  1.0
  F  F25  1  0.062  0.438  0.750  1.0
  F  F26  1  0.750  0.563  0.937  1.0
  F  F27  1  0.557  0.443  0.230  1.0
  F  F28  1  0.057  0.730  0.943  1.0
  F  F29  1  0.057  0.943  0.270  1.0
[/CIF]
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