The structure described by ZrNF is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. Zr(1) is bonded to four equivalent N(1) and three equivalent F(1) atoms to form a mixture of distorted edge and corner-sharing ZrN4F3 pentagonal bipyramids. N(1) is bonded to four equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NZr4 tetrahedra. F(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrNF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   5.376
_cell_length_c   5.395
_cell_angle_alpha   80.119
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.084
_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
  Zr  Zr0  1  0.478  0.680  0.715  1.0
  Zr  Zr1  1  0.522  0.320  0.285  1.0
  Zr  Zr2  1  0.978  0.320  0.785  1.0
  Zr  Zr3  1  0.022  0.680  0.215  1.0
  N  N4  1  0.247  0.462  0.509  1.0
  N  N5  1  0.753  0.538  0.491  1.0
  N  N6  1  0.747  0.538  0.991  1.0
  N  N7  1  0.253  0.462  0.009  1.0
  F  F8  1  0.171  0.951  0.841  1.0
  F  F9  1  0.829  0.049  0.159  1.0
  F  F10  1  0.671  0.049  0.659  1.0
  F  F11  1  0.329  0.951  0.341  1.0
[/CIF]
.
The structure described by ZrNF is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. Zr(1) is bonded to four equivalent N(1) and three equivalent F(1) atoms to form a mixture of distorted edge and corner-sharing ZrN4F3 pentagonal bipyramids. N(1) is bonded to four equivalent Zr(1) atoms to form a mixture of edge and corner-sharing NZr4 tetrahedra. F(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrNF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.323
_cell_length_b   5.376
_cell_length_c   5.395
_cell_angle_alpha   80.119
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   152.084
_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
  Zr  Zr0  1  0.478  0.680  0.715  1.0
  Zr  Zr1  1  0.522  0.320  0.285  1.0
  Zr  Zr2  1  0.978  0.320  0.785  1.0
  Zr  Zr3  1  0.022  0.680  0.215  1.0
  N  N4  1  0.247  0.462  0.509  1.0
  N  N5  1  0.753  0.538  0.491  1.0
  N  N6  1  0.747  0.538  0.991  1.0
  N  N7  1  0.253  0.462  0.009  1.0
  F  F8  1  0.171  0.951  0.841  1.0
  F  F9  1  0.829  0.049  0.159  1.0
  F  F10  1  0.671  0.049  0.659  1.0
  F  F11  1  0.329  0.951  0.341  1.0
[/CIF]
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