The structure described by MnZnF4 crystallizes in the monoclinic C2 space group. Mn(1) is bonded in a body-centered cubic geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form distorted edge-sharing ZnF6 tetrahedra. In the second Zn site, Zn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted edge-sharing ZnF6 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1), one Zn(1), and one Zn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Zn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Mn(1), one Zn(1), and one Zn(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.331
_cell_length_b   6.331
_cell_length_c   5.202
_cell_angle_alpha   67.091
_cell_angle_beta   67.091
_cell_angle_gamma   49.377
_symmetry_Int_Tables_number   1
_cell_volume   143.001
_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  0.997  0.502  0.251  1.0
  Mn  Mn1  1  0.498  0.003  0.749  1.0
  Zn  Zn2  1  0.737  0.263  0.000  1.0
  Zn  Zn3  1  0.258  0.742  0.500  1.0
  F  F4  1  0.678  0.567  0.654  1.0
  F  F5  1  0.920  0.827  0.416  1.0
  F  F6  1  0.317  0.433  0.853  1.0
  F  F7  1  0.433  0.322  0.346  1.0
  F  F8  1  0.073  0.175  0.085  1.0
  F  F9  1  0.173  0.080  0.584  1.0
  F  F10  1  0.567  0.683  0.147  1.0
  F  F11  1  0.825  0.927  0.915  1.0
[/CIF]
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The structure described by MnZnF4 crystallizes in the monoclinic C2 space group. Mn(1) is bonded in a body-centered cubic geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form distorted edge-sharing ZnF6 tetrahedra. In the second Zn site, Zn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted edge-sharing ZnF6 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1), one Zn(1), and one Zn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Zn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Mn(1), one Zn(1), and one Zn(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.331
_cell_length_b   6.331
_cell_length_c   5.202
_cell_angle_alpha   67.091
_cell_angle_beta   67.091
_cell_angle_gamma   49.377
_symmetry_Int_Tables_number   1
_cell_volume   143.001
_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  0.997  0.502  0.251  1.0
  Mn  Mn1  1  0.498  0.003  0.749  1.0
  Zn  Zn2  1  0.737  0.263  0.000  1.0
  Zn  Zn3  1  0.258  0.742  0.500  1.0
  F  F4  1  0.678  0.567  0.654  1.0
  F  F5  1  0.920  0.827  0.416  1.0
  F  F6  1  0.317  0.433  0.853  1.0
  F  F7  1  0.433  0.322  0.346  1.0
  F  F8  1  0.073  0.175  0.085  1.0
  F  F9  1  0.173  0.080  0.584  1.0
  F  F10  1  0.567  0.683  0.147  1.0
  F  F11  1  0.825  0.927  0.915  1.0
[/CIF]
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