The crystal structure described by MnZnF4 crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted tetrahedral geometry to one F(1), one F(3), one F(4), one F(5), one F(7), and one F(8) atom. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), 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 one Mn(1), one Mn(2), and one Zn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom. In the fourth F site, F(4) is bonded in a distorted tetrahedral geometry to one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Zn(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Zn(2) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), 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   5.289
_cell_length_b   5.202
_cell_length_c   6.474
_cell_angle_alpha   115.018
_cell_angle_beta   114.861
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   142.985
_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  0.002  0.503  0.005  1.0
  Mn  Mn1  1  0.500  0.999  0.999  1.0
  Zn  Zn2  1  0.241  0.245  0.503  1.0
  Zn  Zn3  1  0.761  0.756  0.503  1.0
  F  F4  1  0.937  0.353  0.258  1.0
  F  F5  1  0.677  0.088  0.756  1.0
  F  F6  1  0.070  0.649  0.753  1.0
  F  F7  1  0.164  0.137  0.740  1.0
  F  F8  1  0.329  0.919  0.256  1.0
  F  F9  1  0.432  0.416  0.241  1.0
  F  F10  1  0.824  0.846  0.248  1.0
  F  F11  1  0.568  0.585  0.746  1.0
[/CIF]
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The crystal structure described by MnZnF4 crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), and one F(8) atom. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted tetrahedral geometry to one F(1), one F(3), one F(4), one F(5), one F(7), and one F(8) atom. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), 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 one Mn(1), one Mn(2), and one Zn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom. In the fourth F site, F(4) is bonded in a distorted tetrahedral geometry to one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Zn(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Zn(2) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Zn(1), and one Zn(2) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), 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   5.289
_cell_length_b   5.202
_cell_length_c   6.474
_cell_angle_alpha   115.018
_cell_angle_beta   114.861
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   142.985
_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  0.002  0.503  0.005  1.0
  Mn  Mn1  1  0.500  0.999  0.999  1.0
  Zn  Zn2  1  0.241  0.245  0.503  1.0
  Zn  Zn3  1  0.761  0.756  0.503  1.0
  F  F4  1  0.937  0.353  0.258  1.0
  F  F5  1  0.677  0.088  0.756  1.0
  F  F6  1  0.070  0.649  0.753  1.0
  F  F7  1  0.164  0.137  0.740  1.0
  F  F8  1  0.329  0.919  0.256  1.0
  F  F9  1  0.432  0.416  0.241  1.0
  F  F10  1  0.824  0.846  0.248  1.0
  F  F11  1  0.568  0.585  0.746  1.0
[/CIF]
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