The material structure described by ZnBiF5 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded in a 5-coordinate geometry to one F(1), two equivalent F(2), and two equivalent F(3) atoms. Bi(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing BiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent Bi(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Zn(1) and one Bi(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Zn(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_ZnBiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.790
_cell_length_b   5.790
_cell_length_c   8.598
_cell_angle_alpha   67.711
_cell_angle_beta   67.711
_cell_angle_gamma   72.042
_symmetry_Int_Tables_number   1
_cell_volume   242.201
_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  0.508  0.492  0.250  1.0
  Zn  Zn1  1  0.492  0.508  0.750  1.0
  Bi  Bi2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.140  0.860  0.750  1.0
  F  F5  1  0.860  0.140  0.250  1.0
  F  F6  1  0.213  0.327  0.853  1.0
  F  F7  1  0.673  0.787  0.647  1.0
  F  F8  1  0.715  0.335  0.565  1.0
  F  F9  1  0.665  0.285  0.935  1.0
  F  F10  1  0.285  0.665  0.435  1.0
  F  F11  1  0.335  0.715  0.065  1.0
  F  F12  1  0.327  0.213  0.353  1.0
  F  F13  1  0.787  0.673  0.147  1.0
[/CIF]
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The material structure described by ZnBiF5 crystallizes in the monoclinic C2/c space group. Zn(1) is bonded in a 5-coordinate geometry to one F(1), two equivalent F(2), and two equivalent F(3) atoms. Bi(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing BiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Zn(1) and two equivalent Bi(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Zn(1) and one Bi(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Zn(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_ZnBiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.790
_cell_length_b   5.790
_cell_length_c   8.598
_cell_angle_alpha   67.711
_cell_angle_beta   67.711
_cell_angle_gamma   72.042
_symmetry_Int_Tables_number   1
_cell_volume   242.201
_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  0.508  0.492  0.250  1.0
  Zn  Zn1  1  0.492  0.508  0.750  1.0
  Bi  Bi2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.140  0.860  0.750  1.0
  F  F5  1  0.860  0.140  0.250  1.0
  F  F6  1  0.213  0.327  0.853  1.0
  F  F7  1  0.673  0.787  0.647  1.0
  F  F8  1  0.715  0.335  0.565  1.0
  F  F9  1  0.665  0.285  0.935  1.0
  F  F10  1  0.285  0.665  0.435  1.0
  F  F11  1  0.335  0.715  0.065  1.0
  F  F12  1  0.327  0.213  0.353  1.0
  F  F13  1  0.787  0.673  0.147  1.0
[/CIF]
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