The material structure described by SmSeO3Cl crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded to one O(2), four equivalent O(1), and two equivalent Cl(1) atoms to form a mixture of edge and corner-sharing SmCl2O5 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 distorted trigonal planar geometry to two equivalent Sm(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sm(1) and one Se(1) atom. Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.185
_cell_length_b   7.407
_cell_length_c   9.055
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   481.911
_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
  Sm  Sm0  1  0.250  0.110  0.539  1.0
  Sm  Sm1  1  0.750  0.390  0.039  1.0
  Sm  Sm2  1  0.750  0.890  0.461  1.0
  Sm  Sm3  1  0.250  0.610  0.961  1.0
  Se  Se4  1  0.750  0.788  0.869  1.0
  Se  Se5  1  0.250  0.712  0.369  1.0
  Se  Se6  1  0.750  0.288  0.631  1.0
  Se  Se7  1  0.250  0.212  0.131  1.0
  Cl  Cl8  1  0.750  0.551  0.320  1.0
  Cl  Cl9  1  0.250  0.949  0.820  1.0
  Cl  Cl10  1  0.250  0.449  0.680  1.0
  Cl  Cl11  1  0.750  0.051  0.180  1.0
  O  O12  1  0.425  0.857  0.433  1.0
  O  O13  1  0.575  0.143  0.567  1.0
  O  O14  1  0.250  0.753  0.184  1.0
  O  O15  1  0.750  0.247  0.816  1.0
  O  O16  1  0.575  0.643  0.933  1.0
  O  O17  1  0.925  0.143  0.567  1.0
  O  O18  1  0.075  0.357  0.067  1.0
  O  O19  1  0.750  0.747  0.684  1.0
  O  O20  1  0.925  0.643  0.933  1.0
  O  O21  1  0.075  0.857  0.433  1.0
  O  O22  1  0.425  0.357  0.067  1.0
  O  O23  1  0.250  0.253  0.316  1.0
[/CIF]
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The material structure described by SmSeO3Cl crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded to one O(2), four equivalent O(1), and two equivalent Cl(1) atoms to form a mixture of edge and corner-sharing SmCl2O5 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 distorted trigonal planar geometry to two equivalent Sm(1) and one Se(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Sm(1) and one Se(1) atom. Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmSeClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.185
_cell_length_b   7.407
_cell_length_c   9.055
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   481.911
_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
  Sm  Sm0  1  0.250  0.110  0.539  1.0
  Sm  Sm1  1  0.750  0.390  0.039  1.0
  Sm  Sm2  1  0.750  0.890  0.461  1.0
  Sm  Sm3  1  0.250  0.610  0.961  1.0
  Se  Se4  1  0.750  0.788  0.869  1.0
  Se  Se5  1  0.250  0.712  0.369  1.0
  Se  Se6  1  0.750  0.288  0.631  1.0
  Se  Se7  1  0.250  0.212  0.131  1.0
  Cl  Cl8  1  0.750  0.551  0.320  1.0
  Cl  Cl9  1  0.250  0.949  0.820  1.0
  Cl  Cl10  1  0.250  0.449  0.680  1.0
  Cl  Cl11  1  0.750  0.051  0.180  1.0
  O  O12  1  0.425  0.857  0.433  1.0
  O  O13  1  0.575  0.143  0.567  1.0
  O  O14  1  0.250  0.753  0.184  1.0
  O  O15  1  0.750  0.247  0.816  1.0
  O  O16  1  0.575  0.643  0.933  1.0
  O  O17  1  0.925  0.143  0.567  1.0
  O  O18  1  0.075  0.357  0.067  1.0
  O  O19  1  0.750  0.747  0.684  1.0
  O  O20  1  0.925  0.643  0.933  1.0
  O  O21  1  0.075  0.857  0.433  1.0
  O  O22  1  0.425  0.357  0.067  1.0
  O  O23  1  0.250  0.253  0.316  1.0
[/CIF]
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