The crystal structure described by TiZnF5 crystallizes in the monoclinic P2_1/c space group. Ti(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 37°. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees 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. In the fourth F site, F(4) is bonded in a linear geometry to one Ti(1) and one Zn(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.948
_cell_length_b   5.320
_cell_length_c   7.586
_cell_angle_alpha   69.959
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.163
_cell_formula_units_Z   4
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  0.754  0.090  0.606  1.0
  Ti  Ti1  1  0.254  0.910  0.894  1.0
  Ti  Ti2  1  0.246  0.910  0.394  1.0
  Ti  Ti3  1  0.746  0.090  0.106  1.0
  Zn  Zn4  1  0.002  0.507  0.751  1.0
  Zn  Zn5  1  0.502  0.493  0.749  1.0
  Zn  Zn6  1  0.998  0.493  0.249  1.0
  Zn  Zn7  1  0.498  0.507  0.251  1.0
  F  F8  1  0.887  0.388  0.570  1.0
  F  F9  1  0.387  0.612  0.930  1.0
  F  F10  1  0.113  0.612  0.430  1.0
  F  F11  1  0.613  0.388  0.070  1.0
  F  F12  1  0.608  0.345  0.497  1.0
  F  F13  1  0.108  0.655  0.003  1.0
  F  F14  1  0.392  0.655  0.503  1.0
  F  F15  1  0.892  0.345  0.997  1.0
  F  F16  1  0.404  0.156  0.800  1.0
  F  F17  1  0.904  0.844  0.700  1.0
  F  F18  1  0.596  0.844  0.200  1.0
  F  F19  1  0.096  0.156  0.300  1.0
  F  F20  1  0.137  0.230  0.840  1.0
  F  F21  1  0.637  0.770  0.660  1.0
  F  F22  1  0.863  0.770  0.160  1.0
  F  F23  1  0.363  0.230  0.340  1.0
  F  F24  1  0.691  0.143  0.841  1.0
  F  F25  1  0.191  0.857  0.659  1.0
  F  F26  1  0.309  0.857  0.159  1.0
  F  F27  1  0.809  0.143  0.341  1.0
[/CIF]
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The crystal structure described by TiZnF5 crystallizes in the monoclinic P2_1/c space group. Ti(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form corner-sharing TiF6 octahedra. The corner-sharing octahedral tilt angles are 37°. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(2), one F(3), and one F(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees 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. In the fourth F site, F(4) is bonded in a linear geometry to one Ti(1) and one Zn(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.948
_cell_length_b   5.320
_cell_length_c   7.586
_cell_angle_alpha   69.959
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   377.163
_cell_formula_units_Z   4
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  0.754  0.090  0.606  1.0
  Ti  Ti1  1  0.254  0.910  0.894  1.0
  Ti  Ti2  1  0.246  0.910  0.394  1.0
  Ti  Ti3  1  0.746  0.090  0.106  1.0
  Zn  Zn4  1  0.002  0.507  0.751  1.0
  Zn  Zn5  1  0.502  0.493  0.749  1.0
  Zn  Zn6  1  0.998  0.493  0.249  1.0
  Zn  Zn7  1  0.498  0.507  0.251  1.0
  F  F8  1  0.887  0.388  0.570  1.0
  F  F9  1  0.387  0.612  0.930  1.0
  F  F10  1  0.113  0.612  0.430  1.0
  F  F11  1  0.613  0.388  0.070  1.0
  F  F12  1  0.608  0.345  0.497  1.0
  F  F13  1  0.108  0.655  0.003  1.0
  F  F14  1  0.392  0.655  0.503  1.0
  F  F15  1  0.892  0.345  0.997  1.0
  F  F16  1  0.404  0.156  0.800  1.0
  F  F17  1  0.904  0.844  0.700  1.0
  F  F18  1  0.596  0.844  0.200  1.0
  F  F19  1  0.096  0.156  0.300  1.0
  F  F20  1  0.137  0.230  0.840  1.0
  F  F21  1  0.637  0.770  0.660  1.0
  F  F22  1  0.863  0.770  0.160  1.0
  F  F23  1  0.363  0.230  0.340  1.0
  F  F24  1  0.691  0.143  0.841  1.0
  F  F25  1  0.191  0.857  0.659  1.0
  F  F26  1  0.309  0.857  0.159  1.0
  F  F27  1  0.809  0.143  0.341  1.0
[/CIF]
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