The structure described by TiZnF5 crystallizes in the monoclinic C2/c space group. Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TiF6 octahedra that share corners with two equivalent Ti(1)F6 octahedra and corners with six equivalent Zn(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 46°. Zn(1) is bonded to one F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted ZnF5 trigonal bipyramids that share corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 6-67°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Ti(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   5.402
_cell_length_c   7.552
_cell_angle_alpha   69.531
_cell_angle_beta   69.531
_cell_angle_gamma   72.894
_symmetry_Int_Tables_number   1
_cell_volume   189.693
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.521  0.479  0.750  1.0
  Zn  Zn3  1  0.479  0.521  0.250  1.0
  F  F4  1  0.125  0.875  0.250  1.0
  F  F5  1  0.875  0.125  0.750  1.0
  F  F6  1  0.220  0.268  0.372  1.0
  F  F7  1  0.732  0.780  0.128  1.0
  F  F8  1  0.705  0.318  0.045  1.0
  F  F9  1  0.682  0.295  0.455  1.0
  F  F10  1  0.295  0.682  0.955  1.0
  F  F11  1  0.318  0.705  0.545  1.0
  F  F12  1  0.268  0.220  0.872  1.0
  F  F13  1  0.780  0.732  0.628  1.0
[/CIF]
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The structure described by TiZnF5 crystallizes in the monoclinic C2/c space group. Ti(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form TiF6 octahedra that share corners with two equivalent Ti(1)F6 octahedra and corners with six equivalent Zn(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 46°. Zn(1) is bonded to one F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted ZnF5 trigonal bipyramids that share corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 6-67°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Ti(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.402
_cell_length_b   5.402
_cell_length_c   7.552
_cell_angle_alpha   69.531
_cell_angle_beta   69.531
_cell_angle_gamma   72.894
_symmetry_Int_Tables_number   1
_cell_volume   189.693
_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
  Ti  Ti0  1  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.521  0.479  0.750  1.0
  Zn  Zn3  1  0.479  0.521  0.250  1.0
  F  F4  1  0.125  0.875  0.250  1.0
  F  F5  1  0.875  0.125  0.750  1.0
  F  F6  1  0.220  0.268  0.372  1.0
  F  F7  1  0.732  0.780  0.128  1.0
  F  F8  1  0.705  0.318  0.045  1.0
  F  F9  1  0.682  0.295  0.455  1.0
  F  F10  1  0.295  0.682  0.955  1.0
  F  F11  1  0.318  0.705  0.545  1.0
  F  F12  1  0.268  0.220  0.872  1.0
  F  F13  1  0.780  0.732  0.628  1.0
[/CIF]
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