The crystal structure described by CeMoO4F crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. Mo(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ce(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one Mo(1) atom. F(1) is bonded in a distorted linear geometry to two equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeMoO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.622
_cell_length_b   7.045
_cell_length_c   10.148
_cell_angle_alpha   64.307
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.585
_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
  Ce  Ce0  1  0.631  0.803  0.423  1.0
  Ce  Ce1  1  0.869  0.803  0.923  1.0
  Ce  Ce2  1  0.369  0.197  0.577  1.0
  Ce  Ce3  1  0.131  0.197  0.077  1.0
  Mo  Mo4  1  0.636  0.334  0.835  1.0
  Mo  Mo5  1  0.864  0.334  0.335  1.0
  Mo  Mo6  1  0.364  0.666  0.165  1.0
  Mo  Mo7  1  0.136  0.666  0.665  1.0
  O  O8  1  0.663  0.555  0.872  1.0
  O  O9  1  0.837  0.555  0.372  1.0
  O  O10  1  0.337  0.445  0.128  1.0
  O  O11  1  0.163  0.445  0.628  1.0
  O  O12  1  0.901  0.786  0.587  1.0
  O  O13  1  0.599  0.786  0.087  1.0
  O  O14  1  0.099  0.214  0.413  1.0
  O  O15  1  0.401  0.214  0.913  1.0
  O  O16  1  0.608  0.439  0.636  1.0
  O  O17  1  0.892  0.439  0.136  1.0
  O  O18  1  0.392  0.561  0.364  1.0
  O  O19  1  0.108  0.561  0.864  1.0
  O  O20  1  0.859  0.164  0.919  1.0
  O  O21  1  0.641  0.164  0.419  1.0
  O  O22  1  0.141  0.836  0.081  1.0
  O  O23  1  0.359  0.836  0.581  1.0
  F  F24  1  0.883  0.013  0.260  1.0
  F  F25  1  0.617  0.013  0.760  1.0
  F  F26  1  0.117  0.987  0.740  1.0
  F  F27  1  0.383  0.987  0.240  1.0
[/CIF]
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The crystal structure described by CeMoO4F crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. Mo(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ce(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Ce(1) and one Mo(1) atom. F(1) is bonded in a distorted linear geometry to two equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_CeMoO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.622
_cell_length_b   7.045
_cell_length_c   10.148
_cell_angle_alpha   64.307
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.585
_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
  Ce  Ce0  1  0.631  0.803  0.423  1.0
  Ce  Ce1  1  0.869  0.803  0.923  1.0
  Ce  Ce2  1  0.369  0.197  0.577  1.0
  Ce  Ce3  1  0.131  0.197  0.077  1.0
  Mo  Mo4  1  0.636  0.334  0.835  1.0
  Mo  Mo5  1  0.864  0.334  0.335  1.0
  Mo  Mo6  1  0.364  0.666  0.165  1.0
  Mo  Mo7  1  0.136  0.666  0.665  1.0
  O  O8  1  0.663  0.555  0.872  1.0
  O  O9  1  0.837  0.555  0.372  1.0
  O  O10  1  0.337  0.445  0.128  1.0
  O  O11  1  0.163  0.445  0.628  1.0
  O  O12  1  0.901  0.786  0.587  1.0
  O  O13  1  0.599  0.786  0.087  1.0
  O  O14  1  0.099  0.214  0.413  1.0
  O  O15  1  0.401  0.214  0.913  1.0
  O  O16  1  0.608  0.439  0.636  1.0
  O  O17  1  0.892  0.439  0.136  1.0
  O  O18  1  0.392  0.561  0.364  1.0
  O  O19  1  0.108  0.561  0.864  1.0
  O  O20  1  0.859  0.164  0.919  1.0
  O  O21  1  0.641  0.164  0.419  1.0
  O  O22  1  0.141  0.836  0.081  1.0
  O  O23  1  0.359  0.836  0.581  1.0
  F  F24  1  0.883  0.013  0.260  1.0
  F  F25  1  0.617  0.013  0.760  1.0
  F  F26  1  0.117  0.987  0.740  1.0
  F  F27  1  0.383  0.987  0.240  1.0
[/CIF]
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