The crystal structure described by MoZnF5 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 42°. Zn(1) is bonded in a distorted see-saw-like geometry to two equivalent F(2) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Mo(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_ZnMoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.550
_cell_length_b   5.550
_cell_length_c   7.920
_cell_angle_alpha   69.258
_cell_angle_beta   69.258
_cell_angle_gamma   74.295
_symmetry_Int_Tables_number   1
_cell_volume   210.370
_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
  Zn  Zn0  1  0.496  0.504  0.750  1.0
  Zn  Zn1  1  0.504  0.496  0.250  1.0
  Mo  Mo2  1  0.000  0.000  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.113  0.887  0.250  1.0
  F  F5  1  0.887  0.113  0.750  1.0
  F  F6  1  0.700  0.776  0.143  1.0
  F  F7  1  0.224  0.300  0.357  1.0
  F  F8  1  0.675  0.281  0.454  1.0
  F  F9  1  0.719  0.325  0.046  1.0
  F  F10  1  0.325  0.719  0.546  1.0
  F  F11  1  0.281  0.675  0.954  1.0
  F  F12  1  0.776  0.700  0.643  1.0
  F  F13  1  0.300  0.224  0.857  1.0
[/CIF]
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The crystal structure described by MoZnF5 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 42°. Zn(1) is bonded in a distorted see-saw-like geometry to two equivalent F(2) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the second F site, F(2) is bonded in a linear geometry to one Mo(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_ZnMoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.550
_cell_length_b   5.550
_cell_length_c   7.920
_cell_angle_alpha   69.258
_cell_angle_beta   69.258
_cell_angle_gamma   74.295
_symmetry_Int_Tables_number   1
_cell_volume   210.370
_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
  Zn  Zn0  1  0.496  0.504  0.750  1.0
  Zn  Zn1  1  0.504  0.496  0.250  1.0
  Mo  Mo2  1  0.000  0.000  0.500  1.0
  Mo  Mo3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.113  0.887  0.250  1.0
  F  F5  1  0.887  0.113  0.750  1.0
  F  F6  1  0.700  0.776  0.143  1.0
  F  F7  1  0.224  0.300  0.357  1.0
  F  F8  1  0.675  0.281  0.454  1.0
  F  F9  1  0.719  0.325  0.046  1.0
  F  F10  1  0.325  0.719  0.546  1.0
  F  F11  1  0.281  0.675  0.954  1.0
  F  F12  1  0.776  0.700  0.643  1.0
  F  F13  1  0.300  0.224  0.857  1.0
[/CIF]
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