The structure described by CeAsO4F crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), four equivalent O(1), and two equivalent F(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one As(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one As(1) atom. F(1) is bonded in a linear geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAsO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.708
_cell_length_b   7.199
_cell_length_c   8.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.284
_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  0.852  0.250  0.456  1.0
  Ce  Ce1  1  0.648  0.250  0.956  1.0
  Ce  Ce2  1  0.148  0.750  0.544  1.0
  Ce  Ce3  1  0.352  0.750  0.044  1.0
  As  As4  1  0.176  0.250  0.104  1.0
  As  As5  1  0.324  0.250  0.604  1.0
  As  As6  1  0.824  0.750  0.896  1.0
  As  As7  1  0.676  0.750  0.396  1.0
  O  O8  1  0.338  0.067  0.070  1.0
  O  O9  1  0.162  0.433  0.570  1.0
  O  O10  1  0.662  0.567  0.930  1.0
  O  O11  1  0.838  0.933  0.430  1.0
  O  O12  1  0.662  0.933  0.930  1.0
  O  O13  1  0.838  0.567  0.430  1.0
  O  O14  1  0.338  0.433  0.070  1.0
  O  O15  1  0.162  0.067  0.570  1.0
  O  O16  1  0.981  0.250  0.981  1.0
  O  O17  1  0.519  0.250  0.481  1.0
  O  O18  1  0.019  0.750  0.019  1.0
  O  O19  1  0.481  0.750  0.519  1.0
  O  O20  1  0.101  0.250  0.288  1.0
  O  O21  1  0.399  0.250  0.788  1.0
  O  O22  1  0.899  0.750  0.712  1.0
  O  O23  1  0.601  0.750  0.212  1.0
  F  F24  1  0.799  0.250  0.710  1.0
  F  F25  1  0.701  0.250  0.210  1.0
  F  F26  1  0.201  0.750  0.290  1.0
  F  F27  1  0.299  0.750  0.790  1.0
[/CIF]
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The structure described by CeAsO4F crystallizes in the orthorhombic Pnma space group. Ce(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), four equivalent O(1), and two equivalent F(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ce(1) and one As(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ce(1) and one As(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one As(1) atom. F(1) is bonded in a linear geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAsO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.708
_cell_length_b   7.199
_cell_length_c   8.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   426.284
_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  0.852  0.250  0.456  1.0
  Ce  Ce1  1  0.648  0.250  0.956  1.0
  Ce  Ce2  1  0.148  0.750  0.544  1.0
  Ce  Ce3  1  0.352  0.750  0.044  1.0
  As  As4  1  0.176  0.250  0.104  1.0
  As  As5  1  0.324  0.250  0.604  1.0
  As  As6  1  0.824  0.750  0.896  1.0
  As  As7  1  0.676  0.750  0.396  1.0
  O  O8  1  0.338  0.067  0.070  1.0
  O  O9  1  0.162  0.433  0.570  1.0
  O  O10  1  0.662  0.567  0.930  1.0
  O  O11  1  0.838  0.933  0.430  1.0
  O  O12  1  0.662  0.933  0.930  1.0
  O  O13  1  0.838  0.567  0.430  1.0
  O  O14  1  0.338  0.433  0.070  1.0
  O  O15  1  0.162  0.067  0.570  1.0
  O  O16  1  0.981  0.250  0.981  1.0
  O  O17  1  0.519  0.250  0.481  1.0
  O  O18  1  0.019  0.750  0.019  1.0
  O  O19  1  0.481  0.750  0.519  1.0
  O  O20  1  0.101  0.250  0.288  1.0
  O  O21  1  0.399  0.250  0.788  1.0
  O  O22  1  0.899  0.750  0.712  1.0
  O  O23  1  0.601  0.750  0.212  1.0
  F  F24  1  0.799  0.250  0.710  1.0
  F  F25  1  0.701  0.250  0.210  1.0
  F  F26  1  0.201  0.750  0.290  1.0
  F  F27  1  0.299  0.750  0.790  1.0
[/CIF]
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