The crystal structure described by ErSeO3F crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), three equivalent O(2), and two equivalent F(1) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Er(1) and one Se(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Er(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Er(1) and one Se(1) atom. F(1) is bonded in a bent 120 degrees geometry to two equivalent Er(1) atoms. is represented by the CIF file [CIF]
data_ErSeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.947
_cell_length_b   6.619
_cell_length_c   7.207
_cell_angle_alpha   81.500
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   327.794
_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
  Er  Er0  1  0.640  0.861  0.324  1.0
  Er  Er1  1  0.860  0.861  0.824  1.0
  Er  Er2  1  0.140  0.139  0.176  1.0
  Er  Er3  1  0.360  0.139  0.676  1.0
  Se  Se4  1  0.119  0.649  0.289  1.0
  Se  Se5  1  0.381  0.649  0.789  1.0
  Se  Se6  1  0.619  0.351  0.211  1.0
  Se  Se7  1  0.881  0.351  0.711  1.0
  O  O8  1  0.194  0.826  0.779  1.0
  O  O9  1  0.531  0.827  0.648  1.0
  O  O10  1  0.314  0.484  0.639  1.0
  O  O11  1  0.031  0.173  0.852  1.0
  O  O12  1  0.306  0.826  0.279  1.0
  O  O13  1  0.814  0.516  0.861  1.0
  O  O14  1  0.694  0.174  0.721  1.0
  O  O15  1  0.969  0.827  0.148  1.0
  O  O16  1  0.469  0.173  0.352  1.0
  O  O17  1  0.806  0.174  0.221  1.0
  O  O18  1  0.686  0.516  0.361  1.0
  O  O19  1  0.186  0.484  0.139  1.0
  F  F20  1  0.881  0.833  0.525  1.0
  F  F21  1  0.619  0.833  0.025  1.0
  F  F22  1  0.119  0.167  0.475  1.0
  F  F23  1  0.381  0.167  0.975  1.0
[/CIF]
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The crystal structure described by ErSeO3F crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 8-coordinate geometry to one O(3), two equivalent O(1), three equivalent O(2), and two equivalent F(1) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Er(1) and one Se(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent Er(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Er(1) and one Se(1) atom. F(1) is bonded in a bent 120 degrees geometry to two equivalent Er(1) atoms. is represented by the CIF file [CIF]
data_ErSeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.947
_cell_length_b   6.619
_cell_length_c   7.207
_cell_angle_alpha   81.500
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   327.794
_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
  Er  Er0  1  0.640  0.861  0.324  1.0
  Er  Er1  1  0.860  0.861  0.824  1.0
  Er  Er2  1  0.140  0.139  0.176  1.0
  Er  Er3  1  0.360  0.139  0.676  1.0
  Se  Se4  1  0.119  0.649  0.289  1.0
  Se  Se5  1  0.381  0.649  0.789  1.0
  Se  Se6  1  0.619  0.351  0.211  1.0
  Se  Se7  1  0.881  0.351  0.711  1.0
  O  O8  1  0.194  0.826  0.779  1.0
  O  O9  1  0.531  0.827  0.648  1.0
  O  O10  1  0.314  0.484  0.639  1.0
  O  O11  1  0.031  0.173  0.852  1.0
  O  O12  1  0.306  0.826  0.279  1.0
  O  O13  1  0.814  0.516  0.861  1.0
  O  O14  1  0.694  0.174  0.721  1.0
  O  O15  1  0.969  0.827  0.148  1.0
  O  O16  1  0.469  0.173  0.352  1.0
  O  O17  1  0.806  0.174  0.221  1.0
  O  O18  1  0.686  0.516  0.361  1.0
  O  O19  1  0.186  0.484  0.139  1.0
  F  F20  1  0.881  0.833  0.525  1.0
  F  F21  1  0.619  0.833  0.025  1.0
  F  F22  1  0.119  0.167  0.475  1.0
  F  F23  1  0.381  0.167  0.975  1.0
[/CIF]
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