The compound described by CeF4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and two equivalent F(7) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) atoms. In the second F site, F(1) is bonded in a linear geometry to two equivalent Ce(1) atoms. In the third F site, F(2) is bonded in a linear geometry to one Ce(1) and one Ce(2) atom. In the fourth F site, F(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. In the fifth F site, F(4) is bonded in a linear geometry to two equivalent Ce(1) atoms. In the sixth F site, F(5) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. In the seventh F site, F(6) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. is represented by the CIF file [CIF]
data_CeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.308
_cell_length_b   8.299
_cell_length_c   8.299
_cell_angle_alpha   80.292
_cell_angle_beta   63.085
_cell_angle_gamma   63.085
_symmetry_Int_Tables_number   1
_cell_volume   454.477
_cell_formula_units_Z   6
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
  Ce  Ce0  1  0.670  0.632  0.776  1.0
  Ce  Ce1  1  0.830  0.224  0.368  1.0
  Ce  Ce2  1  0.330  0.368  0.224  1.0
  Ce  Ce3  1  0.170  0.776  0.632  1.0
  Ce  Ce4  1  0.750  0.788  0.212  1.0
  Ce  Ce5  1  0.250  0.212  0.788  1.0
  F  F6  1  0.750  0.396  0.604  1.0
  F  F7  1  0.250  0.604  0.396  1.0
  F  F8  1  0.782  0.503  0.261  1.0
  F  F9  1  0.718  0.739  0.497  1.0
  F  F10  1  0.218  0.497  0.739  1.0
  F  F11  1  0.282  0.261  0.503  1.0
  F  F12  1  0.652  0.724  0.029  1.0
  F  F13  1  0.848  0.971  0.276  1.0
  F  F14  1  0.348  0.276  0.971  1.0
  F  F15  1  0.152  0.029  0.724  1.0
  F  F16  1  0.500  0.500  0.000  1.0
  F  F17  1  0.000  0.000  0.500  1.0
  F  F18  1  0.956  0.826  0.934  1.0
  F  F19  1  0.544  0.066  0.174  1.0
  F  F20  1  0.044  0.174  0.066  1.0
  F  F21  1  0.456  0.934  0.826  1.0
  F  F22  1  0.928  0.403  0.815  1.0
  F  F23  1  0.572  0.185  0.597  1.0
  F  F24  1  0.072  0.597  0.185  1.0
  F  F25  1  0.428  0.815  0.403  1.0
  F  F26  1  0.896  0.740  0.682  1.0
  F  F27  1  0.604  0.318  0.260  1.0
  F  F28  1  0.104  0.260  0.318  1.0
  F  F29  1  0.396  0.682  0.740  1.0
[/CIF]
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The compound described by CeF4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and two equivalent F(7) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent F(2), two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a bent 150 degrees geometry to two equivalent Ce(1) atoms. In the second F site, F(1) is bonded in a linear geometry to two equivalent Ce(1) atoms. In the third F site, F(2) is bonded in a linear geometry to one Ce(1) and one Ce(2) atom. In the fourth F site, F(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. In the fifth F site, F(4) is bonded in a linear geometry to two equivalent Ce(1) atoms. In the sixth F site, F(5) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. In the seventh F site, F(6) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(2) atom. is represented by the CIF file [CIF]
data_CeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.308
_cell_length_b   8.299
_cell_length_c   8.299
_cell_angle_alpha   80.292
_cell_angle_beta   63.085
_cell_angle_gamma   63.085
_symmetry_Int_Tables_number   1
_cell_volume   454.477
_cell_formula_units_Z   6
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
  Ce  Ce0  1  0.670  0.632  0.776  1.0
  Ce  Ce1  1  0.830  0.224  0.368  1.0
  Ce  Ce2  1  0.330  0.368  0.224  1.0
  Ce  Ce3  1  0.170  0.776  0.632  1.0
  Ce  Ce4  1  0.750  0.788  0.212  1.0
  Ce  Ce5  1  0.250  0.212  0.788  1.0
  F  F6  1  0.750  0.396  0.604  1.0
  F  F7  1  0.250  0.604  0.396  1.0
  F  F8  1  0.782  0.503  0.261  1.0
  F  F9  1  0.718  0.739  0.497  1.0
  F  F10  1  0.218  0.497  0.739  1.0
  F  F11  1  0.282  0.261  0.503  1.0
  F  F12  1  0.652  0.724  0.029  1.0
  F  F13  1  0.848  0.971  0.276  1.0
  F  F14  1  0.348  0.276  0.971  1.0
  F  F15  1  0.152  0.029  0.724  1.0
  F  F16  1  0.500  0.500  0.000  1.0
  F  F17  1  0.000  0.000  0.500  1.0
  F  F18  1  0.956  0.826  0.934  1.0
  F  F19  1  0.544  0.066  0.174  1.0
  F  F20  1  0.044  0.174  0.066  1.0
  F  F21  1  0.456  0.934  0.826  1.0
  F  F22  1  0.928  0.403  0.815  1.0
  F  F23  1  0.572  0.185  0.597  1.0
  F  F24  1  0.072  0.597  0.185  1.0
  F  F25  1  0.428  0.815  0.403  1.0
  F  F26  1  0.896  0.740  0.682  1.0
  F  F27  1  0.604  0.318  0.260  1.0
  F  F28  1  0.104  0.260  0.318  1.0
  F  F29  1  0.396  0.682  0.740  1.0
[/CIF]
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