The crystal structure described by YbSeO3Cl crystallizes in the orthorhombic Pnma space group. Yb(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 YbCl2O5 pentagonal bipyramids. Se(1) is bonded in a 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 3-coordinate geometry to two equivalent Yb(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Yb(1) and one Se(1) atom. Cl(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.244
_cell_length_b   7.453
_cell_length_c   8.665
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.791
_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
  Yb  Yb0  1  0.750  0.110  0.553  1.0
  Yb  Yb1  1  0.750  0.610  0.947  1.0
  Yb  Yb2  1  0.250  0.890  0.447  1.0
  Yb  Yb3  1  0.250  0.390  0.053  1.0
  Se  Se4  1  0.250  0.770  0.881  1.0
  Se  Se5  1  0.750  0.730  0.381  1.0
  Se  Se6  1  0.750  0.230  0.119  1.0
  Se  Se7  1  0.250  0.270  0.619  1.0
  Cl  Cl8  1  0.250  0.527  0.353  1.0
  Cl  Cl9  1  0.750  0.473  0.647  1.0
  Cl  Cl10  1  0.250  0.027  0.147  1.0
  Cl  Cl11  1  0.750  0.973  0.853  1.0
  O  O12  1  0.071  0.140  0.558  1.0
  O  O13  1  0.071  0.640  0.942  1.0
  O  O14  1  0.929  0.860  0.442  1.0
  O  O15  1  0.571  0.360  0.058  1.0
  O  O16  1  0.571  0.860  0.442  1.0
  O  O17  1  0.750  0.228  0.313  1.0
  O  O18  1  0.429  0.140  0.558  1.0
  O  O19  1  0.750  0.728  0.187  1.0
  O  O20  1  0.250  0.772  0.687  1.0
  O  O21  1  0.250  0.272  0.813  1.0
  O  O22  1  0.929  0.360  0.058  1.0
  O  O23  1  0.429  0.640  0.942  1.0
[/CIF]
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The crystal structure described by YbSeO3Cl crystallizes in the orthorhombic Pnma space group. Yb(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 YbCl2O5 pentagonal bipyramids. Se(1) is bonded in a 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 3-coordinate geometry to two equivalent Yb(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Yb(1) and one Se(1) atom. Cl(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Yb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.244
_cell_length_b   7.453
_cell_length_c   8.665
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.791
_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
  Yb  Yb0  1  0.750  0.110  0.553  1.0
  Yb  Yb1  1  0.750  0.610  0.947  1.0
  Yb  Yb2  1  0.250  0.890  0.447  1.0
  Yb  Yb3  1  0.250  0.390  0.053  1.0
  Se  Se4  1  0.250  0.770  0.881  1.0
  Se  Se5  1  0.750  0.730  0.381  1.0
  Se  Se6  1  0.750  0.230  0.119  1.0
  Se  Se7  1  0.250  0.270  0.619  1.0
  Cl  Cl8  1  0.250  0.527  0.353  1.0
  Cl  Cl9  1  0.750  0.473  0.647  1.0
  Cl  Cl10  1  0.250  0.027  0.147  1.0
  Cl  Cl11  1  0.750  0.973  0.853  1.0
  O  O12  1  0.071  0.140  0.558  1.0
  O  O13  1  0.071  0.640  0.942  1.0
  O  O14  1  0.929  0.860  0.442  1.0
  O  O15  1  0.571  0.360  0.058  1.0
  O  O16  1  0.571  0.860  0.442  1.0
  O  O17  1  0.750  0.228  0.313  1.0
  O  O18  1  0.429  0.140  0.558  1.0
  O  O19  1  0.750  0.728  0.187  1.0
  O  O20  1  0.250  0.772  0.687  1.0
  O  O21  1  0.250  0.272  0.813  1.0
  O  O22  1  0.929  0.360  0.058  1.0
  O  O23  1  0.429  0.640  0.942  1.0
[/CIF]
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