The material described by MnZn3F6 crystallizes in the triclinic P-1 space group. Mn(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Zn site, Zn(2) is bonded in a distorted square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. In the third Zn site, Zn(3) is bonded in a linear geometry to two equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one 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 one Mn(1), one Zn(1), and one Zn(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_MnZn3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.418
_cell_length_b   5.906
_cell_length_c   6.770
_cell_angle_alpha   75.454
_cell_angle_beta   131.898
_cell_angle_gamma   111.961
_symmetry_Int_Tables_number   1
_cell_volume   149.566
_cell_formula_units_Z   1
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  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.500  0.000  1.0
  F  F4  1  0.082  0.280  0.712  1.0
  F  F5  1  0.918  0.720  0.288  1.0
  F  F6  1  0.816  0.797  0.675  1.0
  F  F7  1  0.184  0.203  0.325  1.0
  F  F8  1  0.465  0.862  0.815  1.0
  F  F9  1  0.535  0.138  0.185  1.0
[/CIF]
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The material described by MnZn3F6 crystallizes in the triclinic P-1 space group. Mn(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Zn site, Zn(2) is bonded in a distorted square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. In the third Zn site, Zn(3) is bonded in a linear geometry to two equivalent F(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one 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 one Mn(1), one Zn(1), and one Zn(3) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Zn(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_MnZn3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.418
_cell_length_b   5.906
_cell_length_c   6.770
_cell_angle_alpha   75.454
_cell_angle_beta   131.898
_cell_angle_gamma   111.961
_symmetry_Int_Tables_number   1
_cell_volume   149.566
_cell_formula_units_Z   1
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  0.000  1.0
  Zn  Zn1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.500  0.000  1.0
  F  F4  1  0.082  0.280  0.712  1.0
  F  F5  1  0.918  0.720  0.288  1.0
  F  F6  1  0.816  0.797  0.675  1.0
  F  F7  1  0.184  0.203  0.325  1.0
  F  F8  1  0.465  0.862  0.815  1.0
  F  F9  1  0.535  0.138  0.185  1.0
[/CIF]
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