The structure described by Mo(SeCl6)2 is Indium-like structured and crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight Mo(SeCl6)2 clusters. Mo(1) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. Se(1) is bonded in a 5-coordinate geometry to one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second Cl site, Cl(2) is bonded in a distorted water-like geometry to one Mo(1) and one Se(1) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Mo(1) and one Se(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Se(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Se(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Se(1) atom. is represented by the CIF file [CIF]
data_Mo(SeCl6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.945
_cell_length_b   12.802
_cell_length_c   9.003
_cell_angle_alpha   70.388
_cell_angle_beta   68.682
_cell_angle_gamma   40.930
_symmetry_Int_Tables_number   1
_cell_volume   906.051
_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
  Mo  Mo0  1  0.124  0.124  0.376  1.0
  Mo  Mo1  1  0.874  0.874  0.126  1.0
  Se  Se2  1  0.473  0.938  0.572  1.0
  Se  Se3  1  0.678  0.233  0.777  1.0
  Se  Se4  1  0.938  0.473  0.017  1.0
  Se  Se5  1  0.233  0.678  0.312  1.0
  Cl  Cl6  1  0.090  0.012  0.262  1.0
  Cl  Cl7  1  0.169  0.233  0.483  1.0
  Cl  Cl8  1  0.233  0.169  0.115  1.0
  Cl  Cl9  1  0.923  0.831  0.387  1.0
  Cl  Cl10  1  0.054  0.502  0.778  1.0
  Cl  Cl11  1  0.614  0.988  0.238  1.0
  Cl  Cl12  1  0.449  0.314  0.899  1.0
  Cl  Cl13  1  0.713  0.689  0.579  1.0
  Cl  Cl14  1  0.913  0.351  0.936  1.0
  Cl  Cl15  1  0.472  0.584  0.196  1.0
  Cl  Cl16  1  0.314  0.449  0.337  1.0
  Cl  Cl17  1  0.391  0.863  0.419  1.0
  Cl  Cl18  1  0.584  0.472  0.748  1.0
  Cl  Cl19  1  0.988  0.614  0.160  1.0
  Cl  Cl20  1  0.671  0.230  0.537  1.0
  Cl  Cl21  1  0.502  0.054  0.666  1.0
  Cl  Cl22  1  0.135  0.767  0.017  1.0
  Cl  Cl23  1  0.689  0.713  0.020  1.0
  Cl  Cl24  1  0.767  0.135  0.081  1.0
  Cl  Cl25  1  0.012  0.090  0.636  1.0
  Cl  Cl26  1  0.351  0.913  0.801  1.0
  Cl  Cl27  1  0.863  0.391  0.327  1.0
  Cl  Cl28  1  0.230  0.671  0.561  1.0
  Cl  Cl29  1  0.831  0.923  0.859  1.0
[/CIF]
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The structure described by Mo(SeCl6)2 is Indium-like structured and crystallizes in the orthorhombic Fdd2 space group. The structure is zero-dimensional and consists of eight Mo(SeCl6)2 clusters. Mo(1) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. Se(1) is bonded in a 5-coordinate geometry to one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second Cl site, Cl(2) is bonded in a distorted water-like geometry to one Mo(1) and one Se(1) atom. In the third Cl site, Cl(3) is bonded in a water-like geometry to one Mo(1) and one Se(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Se(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Se(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one Se(1) atom. is represented by the CIF file [CIF]
data_Mo(SeCl6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.945
_cell_length_b   12.802
_cell_length_c   9.003
_cell_angle_alpha   70.388
_cell_angle_beta   68.682
_cell_angle_gamma   40.930
_symmetry_Int_Tables_number   1
_cell_volume   906.051
_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
  Mo  Mo0  1  0.124  0.124  0.376  1.0
  Mo  Mo1  1  0.874  0.874  0.126  1.0
  Se  Se2  1  0.473  0.938  0.572  1.0
  Se  Se3  1  0.678  0.233  0.777  1.0
  Se  Se4  1  0.938  0.473  0.017  1.0
  Se  Se5  1  0.233  0.678  0.312  1.0
  Cl  Cl6  1  0.090  0.012  0.262  1.0
  Cl  Cl7  1  0.169  0.233  0.483  1.0
  Cl  Cl8  1  0.233  0.169  0.115  1.0
  Cl  Cl9  1  0.923  0.831  0.387  1.0
  Cl  Cl10  1  0.054  0.502  0.778  1.0
  Cl  Cl11  1  0.614  0.988  0.238  1.0
  Cl  Cl12  1  0.449  0.314  0.899  1.0
  Cl  Cl13  1  0.713  0.689  0.579  1.0
  Cl  Cl14  1  0.913  0.351  0.936  1.0
  Cl  Cl15  1  0.472  0.584  0.196  1.0
  Cl  Cl16  1  0.314  0.449  0.337  1.0
  Cl  Cl17  1  0.391  0.863  0.419  1.0
  Cl  Cl18  1  0.584  0.472  0.748  1.0
  Cl  Cl19  1  0.988  0.614  0.160  1.0
  Cl  Cl20  1  0.671  0.230  0.537  1.0
  Cl  Cl21  1  0.502  0.054  0.666  1.0
  Cl  Cl22  1  0.135  0.767  0.017  1.0
  Cl  Cl23  1  0.689  0.713  0.020  1.0
  Cl  Cl24  1  0.767  0.135  0.081  1.0
  Cl  Cl25  1  0.012  0.090  0.636  1.0
  Cl  Cl26  1  0.351  0.913  0.801  1.0
  Cl  Cl27  1  0.863  0.391  0.327  1.0
  Cl  Cl28  1  0.230  0.671  0.561  1.0
  Cl  Cl29  1  0.831  0.923  0.859  1.0
[/CIF]
.