The material structure described by ZnOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. Zn(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing ZnO3F3 octahedra. The corner-sharing octahedral tilt angles are 55°. O(1) is bonded in a trigonal planar geometry to three equivalent Zn(1) atoms. F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.153
_cell_length_b   4.497
_cell_length_c   10.318
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.293
_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
  Zn  Zn0  1  0.250  0.058  0.139  1.0
  Zn  Zn1  1  0.750  0.942  0.861  1.0
  Zn  Zn2  1  0.750  0.558  0.361  1.0
  Zn  Zn3  1  0.250  0.442  0.639  1.0
  O  O4  1  0.250  0.800  0.298  1.0
  O  O5  1  0.750  0.200  0.702  1.0
  O  O6  1  0.750  0.300  0.202  1.0
  O  O7  1  0.250  0.700  0.798  1.0
  F  F8  1  0.250  0.199  0.944  1.0
  F  F9  1  0.750  0.801  0.056  1.0
  F  F10  1  0.750  0.699  0.556  1.0
  F  F11  1  0.250  0.301  0.444  1.0
[/CIF]
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The material structure described by ZnOF is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. Zn(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of edge and corner-sharing ZnO3F3 octahedra. The corner-sharing octahedral tilt angles are 55°. O(1) is bonded in a trigonal planar geometry to three equivalent Zn(1) atoms. F(1) is bonded in a trigonal non-coplanar geometry to three equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.153
_cell_length_b   4.497
_cell_length_c   10.318
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   146.293
_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
  Zn  Zn0  1  0.250  0.058  0.139  1.0
  Zn  Zn1  1  0.750  0.942  0.861  1.0
  Zn  Zn2  1  0.750  0.558  0.361  1.0
  Zn  Zn3  1  0.250  0.442  0.639  1.0
  O  O4  1  0.250  0.800  0.298  1.0
  O  O5  1  0.750  0.200  0.702  1.0
  O  O6  1  0.750  0.300  0.202  1.0
  O  O7  1  0.250  0.700  0.798  1.0
  F  F8  1  0.250  0.199  0.944  1.0
  F  F9  1  0.750  0.801  0.056  1.0
  F  F10  1  0.750  0.699  0.556  1.0
  F  F11  1  0.250  0.301  0.444  1.0
[/CIF]
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