The crystal structure described by CeAsO5F crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), and two equivalent F(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent 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. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ce(1) atom. F(1) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAsO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.339
_cell_length_b   5.310
_cell_length_c   12.867
_cell_angle_alpha   70.949
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   473.984
_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  0.797  0.953  0.809  1.0
  Ce  Ce1  1  0.203  0.047  0.191  1.0
  Ce  Ce2  1  0.297  0.047  0.691  1.0
  Ce  Ce3  1  0.703  0.953  0.309  1.0
  As  As4  1  0.138  0.392  0.887  1.0
  As  As5  1  0.862  0.608  0.113  1.0
  As  As6  1  0.638  0.608  0.613  1.0
  As  As7  1  0.362  0.392  0.387  1.0
  O  O8  1  0.294  0.291  0.810  1.0
  O  O9  1  0.706  0.709  0.190  1.0
  O  O10  1  0.794  0.709  0.690  1.0
  O  O11  1  0.206  0.291  0.310  1.0
  O  O12  1  0.102  0.732  0.826  1.0
  O  O13  1  0.898  0.268  0.174  1.0
  O  O14  1  0.602  0.268  0.674  1.0
  O  O15  1  0.398  0.732  0.326  1.0
  O  O16  1  0.288  0.331  0.519  1.0
  O  O17  1  0.712  0.669  0.481  1.0
  O  O18  1  0.788  0.669  0.981  1.0
  O  O19  1  0.212  0.331  0.019  1.0
  O  O20  1  0.436  0.777  0.611  1.0
  O  O21  1  0.564  0.223  0.389  1.0
  O  O22  1  0.936  0.223  0.889  1.0
  O  O23  1  0.064  0.777  0.111  1.0
  O  O24  1  0.115  0.821  0.582  1.0
  O  O25  1  0.885  0.179  0.418  1.0
  O  O26  1  0.615  0.179  0.918  1.0
  O  O27  1  0.385  0.821  0.082  1.0
  F  F28  1  0.501  0.809  0.820  1.0
  F  F29  1  0.499  0.191  0.180  1.0
  F  F30  1  0.001  0.191  0.680  1.0
  F  F31  1  0.999  0.809  0.320  1.0
[/CIF]
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The crystal structure described by CeAsO5F crystallizes in the monoclinic P2_1/c space group. Ce(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), and two equivalent F(1) atoms. As(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ce(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent 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. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Ce(1) atom. F(1) is bonded in a bent 120 degrees geometry to two equivalent Ce(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CeAsO5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.339
_cell_length_b   5.310
_cell_length_c   12.867
_cell_angle_alpha   70.949
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   473.984
_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  0.797  0.953  0.809  1.0
  Ce  Ce1  1  0.203  0.047  0.191  1.0
  Ce  Ce2  1  0.297  0.047  0.691  1.0
  Ce  Ce3  1  0.703  0.953  0.309  1.0
  As  As4  1  0.138  0.392  0.887  1.0
  As  As5  1  0.862  0.608  0.113  1.0
  As  As6  1  0.638  0.608  0.613  1.0
  As  As7  1  0.362  0.392  0.387  1.0
  O  O8  1  0.294  0.291  0.810  1.0
  O  O9  1  0.706  0.709  0.190  1.0
  O  O10  1  0.794  0.709  0.690  1.0
  O  O11  1  0.206  0.291  0.310  1.0
  O  O12  1  0.102  0.732  0.826  1.0
  O  O13  1  0.898  0.268  0.174  1.0
  O  O14  1  0.602  0.268  0.674  1.0
  O  O15  1  0.398  0.732  0.326  1.0
  O  O16  1  0.288  0.331  0.519  1.0
  O  O17  1  0.712  0.669  0.481  1.0
  O  O18  1  0.788  0.669  0.981  1.0
  O  O19  1  0.212  0.331  0.019  1.0
  O  O20  1  0.436  0.777  0.611  1.0
  O  O21  1  0.564  0.223  0.389  1.0
  O  O22  1  0.936  0.223  0.889  1.0
  O  O23  1  0.064  0.777  0.111  1.0
  O  O24  1  0.115  0.821  0.582  1.0
  O  O25  1  0.885  0.179  0.418  1.0
  O  O26  1  0.615  0.179  0.918  1.0
  O  O27  1  0.385  0.821  0.082  1.0
  F  F28  1  0.501  0.809  0.820  1.0
  F  F29  1  0.499  0.191  0.180  1.0
  F  F30  1  0.001  0.191  0.680  1.0
  F  F31  1  0.999  0.809  0.320  1.0
[/CIF]
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