The material structure described by DySeO3Cl crystallizes in the orthorhombic Pnma space group. Dy(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 DyCl2O5 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 Dy(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Dy(1) and one Se(1) atom. Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Dy(1) atoms. is represented by the CIF card [CIF]
data_DySeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.022
_cell_length_b   7.298
_cell_length_c   8.888
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   455.506
_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
  Dy  Dy0  1  0.750  0.395  0.039  1.0
  Dy  Dy1  1  0.750  0.895  0.461  1.0
  Dy  Dy2  1  0.250  0.605  0.961  1.0
  Dy  Dy3  1  0.250  0.105  0.539  1.0
  Se  Se4  1  0.750  0.291  0.633  1.0
  Se  Se5  1  0.250  0.709  0.367  1.0
  Se  Se6  1  0.750  0.791  0.867  1.0
  Se  Se7  1  0.250  0.209  0.133  1.0
  Cl  Cl8  1  0.250  0.443  0.682  1.0
  Cl  Cl9  1  0.750  0.057  0.182  1.0
  Cl  Cl10  1  0.250  0.943  0.818  1.0
  Cl  Cl11  1  0.750  0.557  0.318  1.0
  O  O12  1  0.927  0.642  0.933  1.0
  O  O13  1  0.573  0.642  0.933  1.0
  O  O14  1  0.750  0.748  0.679  1.0
  O  O15  1  0.073  0.358  0.067  1.0
  O  O16  1  0.073  0.858  0.433  1.0
  O  O17  1  0.250  0.752  0.179  1.0
  O  O18  1  0.927  0.142  0.567  1.0
  O  O19  1  0.250  0.252  0.321  1.0
  O  O20  1  0.427  0.358  0.067  1.0
  O  O21  1  0.573  0.142  0.567  1.0
  O  O22  1  0.750  0.248  0.821  1.0
  O  O23  1  0.427  0.858  0.433  1.0
[/CIF]
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The material structure described by DySeO3Cl crystallizes in the orthorhombic Pnma space group. Dy(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 DyCl2O5 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 Dy(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Dy(1) and one Se(1) atom. Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Dy(1) atoms. is represented by the CIF card [CIF]
data_DySeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.022
_cell_length_b   7.298
_cell_length_c   8.888
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   455.506
_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
  Dy  Dy0  1  0.750  0.395  0.039  1.0
  Dy  Dy1  1  0.750  0.895  0.461  1.0
  Dy  Dy2  1  0.250  0.605  0.961  1.0
  Dy  Dy3  1  0.250  0.105  0.539  1.0
  Se  Se4  1  0.750  0.291  0.633  1.0
  Se  Se5  1  0.250  0.709  0.367  1.0
  Se  Se6  1  0.750  0.791  0.867  1.0
  Se  Se7  1  0.250  0.209  0.133  1.0
  Cl  Cl8  1  0.250  0.443  0.682  1.0
  Cl  Cl9  1  0.750  0.057  0.182  1.0
  Cl  Cl10  1  0.250  0.943  0.818  1.0
  Cl  Cl11  1  0.750  0.557  0.318  1.0
  O  O12  1  0.927  0.642  0.933  1.0
  O  O13  1  0.573  0.642  0.933  1.0
  O  O14  1  0.750  0.748  0.679  1.0
  O  O15  1  0.073  0.358  0.067  1.0
  O  O16  1  0.073  0.858  0.433  1.0
  O  O17  1  0.250  0.752  0.179  1.0
  O  O18  1  0.927  0.142  0.567  1.0
  O  O19  1  0.250  0.252  0.321  1.0
  O  O20  1  0.427  0.358  0.067  1.0
  O  O21  1  0.573  0.142  0.567  1.0
  O  O22  1  0.750  0.248  0.821  1.0
  O  O23  1  0.427  0.858  0.433  1.0
[/CIF]
.