The material described by ZrF4 crystallizes in the monoclinic P2_1/c space group. Zr(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to two equivalent Zr(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Zr(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Zr(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.581
_cell_length_b   5.605
_cell_length_c   7.973
_cell_angle_alpha   90.000
_cell_angle_beta   106.056
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.691
_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  0.788  0.333  0.330  1.0
  Zr  Zr1  1  0.212  0.833  0.170  1.0
  Zr  Zr2  1  0.212  0.667  0.670  1.0
  Zr  Zr3  1  0.788  0.167  0.830  1.0
  F  F4  1  0.142  0.342  0.522  1.0
  F  F5  1  0.858  0.842  0.978  1.0
  F  F6  1  0.858  0.658  0.478  1.0
  F  F7  1  0.142  0.158  0.022  1.0
  F  F8  1  0.004  0.540  0.208  1.0
  F  F9  1  0.996  0.040  0.292  1.0
  F  F10  1  0.996  0.460  0.792  1.0
  F  F11  1  0.004  0.960  0.708  1.0
  F  F12  1  0.481  0.542  0.234  1.0
  F  F13  1  0.519  0.042  0.266  1.0
  F  F14  1  0.519  0.458  0.766  1.0
  F  F15  1  0.481  0.958  0.734  1.0
  F  F16  1  0.686  0.241  0.548  1.0
  F  F17  1  0.314  0.741  0.952  1.0
  F  F18  1  0.314  0.759  0.452  1.0
  F  F19  1  0.686  0.259  0.048  1.0
[/CIF]
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The material described by ZrF4 crystallizes in the monoclinic P2_1/c space group. Zr(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to two equivalent Zr(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Zr(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Zr(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.581
_cell_length_b   5.605
_cell_length_c   7.973
_cell_angle_alpha   90.000
_cell_angle_beta   106.056
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   239.691
_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  0.788  0.333  0.330  1.0
  Zr  Zr1  1  0.212  0.833  0.170  1.0
  Zr  Zr2  1  0.212  0.667  0.670  1.0
  Zr  Zr3  1  0.788  0.167  0.830  1.0
  F  F4  1  0.142  0.342  0.522  1.0
  F  F5  1  0.858  0.842  0.978  1.0
  F  F6  1  0.858  0.658  0.478  1.0
  F  F7  1  0.142  0.158  0.022  1.0
  F  F8  1  0.004  0.540  0.208  1.0
  F  F9  1  0.996  0.040  0.292  1.0
  F  F10  1  0.996  0.460  0.792  1.0
  F  F11  1  0.004  0.960  0.708  1.0
  F  F12  1  0.481  0.542  0.234  1.0
  F  F13  1  0.519  0.042  0.266  1.0
  F  F14  1  0.519  0.458  0.766  1.0
  F  F15  1  0.481  0.958  0.734  1.0
  F  F16  1  0.686  0.241  0.548  1.0
  F  F17  1  0.314  0.741  0.952  1.0
  F  F18  1  0.314  0.759  0.452  1.0
  F  F19  1  0.686  0.259  0.048  1.0
[/CIF]
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