The crystal structure described by SmMoO4Cl crystallizes in the monoclinic C2/m space group. Sm(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), four equivalent O(1), and two equivalent Cl(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Sm(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Sm(1) and one Mo(1) atom. Cl(1) is bonded in a water-like geometry to two equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmMoClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.432
_cell_length_b   6.432
_cell_length_c   7.006
_cell_angle_alpha   76.386
_cell_angle_beta   76.386
_cell_angle_gamma   71.062
_symmetry_Int_Tables_number   1
_cell_volume   262.479
_cell_formula_units_Z   2
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  0.778  0.778  0.113  1.0
  Sm  Sm1  1  0.222  0.222  0.887  1.0
  Mo  Mo2  1  0.363  0.363  0.268  1.0
  Mo  Mo3  1  0.637  0.637  0.732  1.0
  Cl  Cl4  1  0.989  0.989  0.765  1.0
  Cl  Cl5  1  0.011  0.011  0.235  1.0
  O  O6  1  0.884  0.510  0.849  1.0
  O  O7  1  0.293  0.293  0.531  1.0
  O  O8  1  0.540  0.540  0.207  1.0
  O  O9  1  0.707  0.707  0.469  1.0
  O  O10  1  0.460  0.460  0.793  1.0
  O  O11  1  0.490  0.116  0.151  1.0
  O  O12  1  0.116  0.490  0.151  1.0
  O  O13  1  0.510  0.884  0.849  1.0
[/CIF]
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The crystal structure described by SmMoO4Cl crystallizes in the monoclinic C2/m space group. Sm(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), four equivalent O(1), and two equivalent Cl(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Sm(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Sm(1) and one Mo(1) atom. Cl(1) is bonded in a water-like geometry to two equivalent Sm(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmMoClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.432
_cell_length_b   6.432
_cell_length_c   7.006
_cell_angle_alpha   76.386
_cell_angle_beta   76.386
_cell_angle_gamma   71.062
_symmetry_Int_Tables_number   1
_cell_volume   262.479
_cell_formula_units_Z   2
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  0.778  0.778  0.113  1.0
  Sm  Sm1  1  0.222  0.222  0.887  1.0
  Mo  Mo2  1  0.363  0.363  0.268  1.0
  Mo  Mo3  1  0.637  0.637  0.732  1.0
  Cl  Cl4  1  0.989  0.989  0.765  1.0
  Cl  Cl5  1  0.011  0.011  0.235  1.0
  O  O6  1  0.884  0.510  0.849  1.0
  O  O7  1  0.293  0.293  0.531  1.0
  O  O8  1  0.540  0.540  0.207  1.0
  O  O9  1  0.707  0.707  0.469  1.0
  O  O10  1  0.460  0.460  0.793  1.0
  O  O11  1  0.490  0.116  0.151  1.0
  O  O12  1  0.116  0.490  0.151  1.0
  O  O13  1  0.510  0.884  0.849  1.0
[/CIF]
.