The structure described by ErSeO3Cl crystallizes in the orthorhombic Pnma space group. Er(1) is bonded to one O(2), four equivalent O(1), and two equivalent Cl(1) atoms to form a mixture of distorted corner and edge-sharing ErCl2O5 pentagonal bipyramids. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two 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 bent 150 degrees geometry to one Er(1) and one Se(1) atom. Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Er(1) atoms. is represented by the CIF card [CIF]
data_ErSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.961
_cell_length_b   7.303
_cell_length_c   8.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.407
_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  0.250  0.602  0.960  1.0
  Er  Er1  1  0.750  0.398  0.040  1.0
  Er  Er2  1  0.250  0.102  0.540  1.0
  Er  Er3  1  0.750  0.898  0.460  1.0
  Se  Se4  1  0.250  0.210  0.133  1.0
  Se  Se5  1  0.750  0.790  0.867  1.0
  Se  Se6  1  0.750  0.290  0.633  1.0
  Se  Se7  1  0.250  0.710  0.367  1.0
  Cl  Cl8  1  0.750  0.563  0.317  1.0
  Cl  Cl9  1  0.750  0.063  0.183  1.0
  Cl  Cl10  1  0.250  0.437  0.683  1.0
  Cl  Cl11  1  0.250  0.937  0.817  1.0
  O  O12  1  0.928  0.640  0.932  1.0
  O  O13  1  0.428  0.360  0.068  1.0
  O  O14  1  0.572  0.140  0.568  1.0
  O  O15  1  0.072  0.860  0.432  1.0
  O  O16  1  0.072  0.360  0.068  1.0
  O  O17  1  0.572  0.640  0.932  1.0
  O  O18  1  0.428  0.860  0.432  1.0
  O  O19  1  0.750  0.749  0.677  1.0
  O  O20  1  0.250  0.751  0.177  1.0
  O  O21  1  0.750  0.249  0.823  1.0
  O  O22  1  0.250  0.251  0.323  1.0
  O  O23  1  0.928  0.140  0.568  1.0
[/CIF]
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The structure described by ErSeO3Cl crystallizes in the orthorhombic Pnma space group. Er(1) is bonded to one O(2), four equivalent O(1), and two equivalent Cl(1) atoms to form a mixture of distorted corner and edge-sharing ErCl2O5 pentagonal bipyramids. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(1) atoms. There are two 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 bent 150 degrees geometry to one Er(1) and one Se(1) atom. Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Er(1) atoms. is represented by the CIF card [CIF]
data_ErSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.961
_cell_length_b   7.303
_cell_length_c   8.801
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.407
_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  0.250  0.602  0.960  1.0
  Er  Er1  1  0.750  0.398  0.040  1.0
  Er  Er2  1  0.250  0.102  0.540  1.0
  Er  Er3  1  0.750  0.898  0.460  1.0
  Se  Se4  1  0.250  0.210  0.133  1.0
  Se  Se5  1  0.750  0.790  0.867  1.0
  Se  Se6  1  0.750  0.290  0.633  1.0
  Se  Se7  1  0.250  0.710  0.367  1.0
  Cl  Cl8  1  0.750  0.563  0.317  1.0
  Cl  Cl9  1  0.750  0.063  0.183  1.0
  Cl  Cl10  1  0.250  0.437  0.683  1.0
  Cl  Cl11  1  0.250  0.937  0.817  1.0
  O  O12  1  0.928  0.640  0.932  1.0
  O  O13  1  0.428  0.360  0.068  1.0
  O  O14  1  0.572  0.140  0.568  1.0
  O  O15  1  0.072  0.860  0.432  1.0
  O  O16  1  0.072  0.360  0.068  1.0
  O  O17  1  0.572  0.640  0.932  1.0
  O  O18  1  0.428  0.860  0.432  1.0
  O  O19  1  0.750  0.749  0.677  1.0
  O  O20  1  0.250  0.751  0.177  1.0
  O  O21  1  0.750  0.249  0.823  1.0
  O  O22  1  0.250  0.251  0.323  1.0
  O  O23  1  0.928  0.140  0.568  1.0
[/CIF]
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