The crystal structure described by WZnF5 crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second W site, W(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 53°. Zn(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Zn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one W(2) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one W(1) and one Zn(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one W(1) and one Zn(1) atom. In the fifth F site, F(5) is bonded in a distorted bent 150 degrees geometry to one W(2) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnWF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.227
_cell_length_b   5.229
_cell_length_c   7.479
_cell_angle_alpha   74.365
_cell_angle_beta   74.451
_cell_angle_gamma   77.089
_symmetry_Int_Tables_number   1
_cell_volume   187.093
_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  0.517  0.483  0.250  1.0
  Zn  Zn1  1  0.483  0.517  0.750  1.0
  W  W2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.000  0.000  0.500  1.0
  F  F4  1  0.142  0.858  0.750  1.0
  F  F5  1  0.858  0.142  0.250  1.0
  F  F6  1  0.686  0.809  0.667  1.0
  F  F7  1  0.190  0.314  0.832  1.0
  F  F8  1  0.665  0.284  0.957  1.0
  F  F9  1  0.716  0.335  0.542  1.0
  F  F10  1  0.335  0.716  0.043  1.0
  F  F11  1  0.284  0.665  0.458  1.0
  F  F12  1  0.810  0.686  0.168  1.0
  F  F13  1  0.314  0.191  0.333  1.0
[/CIF]
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The crystal structure described by WZnF5 crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second W site, W(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(5) atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 53°. Zn(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Zn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one W(2) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one W(1) and one Zn(1) atom. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to one W(1) and one Zn(1) atom. In the fifth F site, F(5) is bonded in a distorted bent 150 degrees geometry to one W(2) and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnWF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.227
_cell_length_b   5.229
_cell_length_c   7.479
_cell_angle_alpha   74.365
_cell_angle_beta   74.451
_cell_angle_gamma   77.089
_symmetry_Int_Tables_number   1
_cell_volume   187.093
_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  0.517  0.483  0.250  1.0
  Zn  Zn1  1  0.483  0.517  0.750  1.0
  W  W2  1  0.000  0.000  0.000  1.0
  W  W3  1  0.000  0.000  0.500  1.0
  F  F4  1  0.142  0.858  0.750  1.0
  F  F5  1  0.858  0.142  0.250  1.0
  F  F6  1  0.686  0.809  0.667  1.0
  F  F7  1  0.190  0.314  0.832  1.0
  F  F8  1  0.665  0.284  0.957  1.0
  F  F9  1  0.716  0.335  0.542  1.0
  F  F10  1  0.335  0.716  0.043  1.0
  F  F11  1  0.284  0.665  0.458  1.0
  F  F12  1  0.810  0.686  0.168  1.0
  F  F13  1  0.314  0.191  0.333  1.0
[/CIF]
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