The structure described by MoCl5 is Indium-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four MoCl5 clusters. Mo(1) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom to form edge-sharing MoCl6 octahedra. 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 single-bond geometry to one Mo(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Mo(1) atom. In the fifth Cl site, Cl(5) is bonded in a water-like geometry to two equivalent Mo(1) atoms. In the sixth Cl site, Cl(6) is bonded in a water-like geometry to two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.155
_cell_length_b   11.688
_cell_length_c   17.857
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   1284.724
_cell_formula_units_Z   8
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  0.911  0.876  0.857  1.0
  Mo  Mo1  1  0.589  0.376  0.857  1.0
  Mo  Mo2  1  0.411  0.624  0.143  1.0
  Mo  Mo3  1  0.089  0.124  0.143  1.0
  Mo  Mo4  1  0.089  0.124  0.357  1.0
  Mo  Mo5  1  0.589  0.376  0.643  1.0
  Mo  Mo6  1  0.911  0.876  0.643  1.0
  Mo  Mo7  1  0.411  0.624  0.357  1.0
  Cl  Cl8  1  0.620  0.759  0.656  1.0
  Cl  Cl9  1  0.924  0.238  0.058  1.0
  Cl  Cl10  1  0.120  0.741  0.156  1.0
  Cl  Cl11  1  0.380  0.241  0.156  1.0
  Cl  Cl12  1  0.200  0.994  0.844  1.0
  Cl  Cl13  1  0.254  0.010  0.057  1.0
  Cl  Cl14  1  0.076  0.762  0.942  1.0
  Cl  Cl15  1  0.800  0.006  0.344  1.0
  Cl  Cl16  1  0.300  0.494  0.844  1.0
  Cl  Cl17  1  0.076  0.762  0.558  1.0
  Cl  Cl18  1  0.926  0.237  0.250  1.0
  Cl  Cl19  1  0.424  0.262  0.942  1.0
  Cl  Cl20  1  0.746  0.988  0.750  1.0
  Cl  Cl21  1  0.753  0.490  0.557  1.0
  Cl  Cl22  1  0.380  0.241  0.344  1.0
  Cl  Cl23  1  0.254  0.012  0.250  1.0
  Cl  Cl24  1  0.754  0.488  0.750  1.0
  Cl  Cl25  1  0.746  0.990  0.557  1.0
  Cl  Cl26  1  0.247  0.510  0.057  1.0
  Cl  Cl27  1  0.426  0.263  0.750  1.0
  Cl  Cl28  1  0.246  0.512  0.250  1.0
  Cl  Cl29  1  0.574  0.737  0.250  1.0
  Cl  Cl30  1  0.880  0.259  0.844  1.0
  Cl  Cl31  1  0.880  0.259  0.656  1.0
  Cl  Cl32  1  0.746  0.990  0.943  1.0
  Cl  Cl33  1  0.254  0.010  0.443  1.0
  Cl  Cl34  1  0.924  0.238  0.442  1.0
  Cl  Cl35  1  0.753  0.490  0.943  1.0
  Cl  Cl36  1  0.800  0.006  0.156  1.0
  Cl  Cl37  1  0.074  0.763  0.750  1.0
  Cl  Cl38  1  0.424  0.262  0.558  1.0
  Cl  Cl39  1  0.120  0.741  0.344  1.0
  Cl  Cl40  1  0.247  0.510  0.443  1.0
  Cl  Cl41  1  0.576  0.738  0.058  1.0
  Cl  Cl42  1  0.576  0.738  0.442  1.0
  Cl  Cl43  1  0.620  0.759  0.844  1.0
  Cl  Cl44  1  0.200  0.994  0.656  1.0
  Cl  Cl45  1  0.700  0.506  0.344  1.0
  Cl  Cl46  1  0.300  0.494  0.656  1.0
  Cl  Cl47  1  0.700  0.506  0.156  1.0
[/CIF]
.
The structure described by MoCl5 is Indium-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four MoCl5 clusters. Mo(1) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom to form edge-sharing MoCl6 octahedra. 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 single-bond geometry to one Mo(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Mo(1) atom. In the fifth Cl site, Cl(5) is bonded in a water-like geometry to two equivalent Mo(1) atoms. In the sixth Cl site, Cl(6) is bonded in a water-like geometry to two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.155
_cell_length_b   11.688
_cell_length_c   17.857
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   1284.724
_cell_formula_units_Z   8
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  0.911  0.876  0.857  1.0
  Mo  Mo1  1  0.589  0.376  0.857  1.0
  Mo  Mo2  1  0.411  0.624  0.143  1.0
  Mo  Mo3  1  0.089  0.124  0.143  1.0
  Mo  Mo4  1  0.089  0.124  0.357  1.0
  Mo  Mo5  1  0.589  0.376  0.643  1.0
  Mo  Mo6  1  0.911  0.876  0.643  1.0
  Mo  Mo7  1  0.411  0.624  0.357  1.0
  Cl  Cl8  1  0.620  0.759  0.656  1.0
  Cl  Cl9  1  0.924  0.238  0.058  1.0
  Cl  Cl10  1  0.120  0.741  0.156  1.0
  Cl  Cl11  1  0.380  0.241  0.156  1.0
  Cl  Cl12  1  0.200  0.994  0.844  1.0
  Cl  Cl13  1  0.254  0.010  0.057  1.0
  Cl  Cl14  1  0.076  0.762  0.942  1.0
  Cl  Cl15  1  0.800  0.006  0.344  1.0
  Cl  Cl16  1  0.300  0.494  0.844  1.0
  Cl  Cl17  1  0.076  0.762  0.558  1.0
  Cl  Cl18  1  0.926  0.237  0.250  1.0
  Cl  Cl19  1  0.424  0.262  0.942  1.0
  Cl  Cl20  1  0.746  0.988  0.750  1.0
  Cl  Cl21  1  0.753  0.490  0.557  1.0
  Cl  Cl22  1  0.380  0.241  0.344  1.0
  Cl  Cl23  1  0.254  0.012  0.250  1.0
  Cl  Cl24  1  0.754  0.488  0.750  1.0
  Cl  Cl25  1  0.746  0.990  0.557  1.0
  Cl  Cl26  1  0.247  0.510  0.057  1.0
  Cl  Cl27  1  0.426  0.263  0.750  1.0
  Cl  Cl28  1  0.246  0.512  0.250  1.0
  Cl  Cl29  1  0.574  0.737  0.250  1.0
  Cl  Cl30  1  0.880  0.259  0.844  1.0
  Cl  Cl31  1  0.880  0.259  0.656  1.0
  Cl  Cl32  1  0.746  0.990  0.943  1.0
  Cl  Cl33  1  0.254  0.010  0.443  1.0
  Cl  Cl34  1  0.924  0.238  0.442  1.0
  Cl  Cl35  1  0.753  0.490  0.943  1.0
  Cl  Cl36  1  0.800  0.006  0.156  1.0
  Cl  Cl37  1  0.074  0.763  0.750  1.0
  Cl  Cl38  1  0.424  0.262  0.558  1.0
  Cl  Cl39  1  0.120  0.741  0.344  1.0
  Cl  Cl40  1  0.247  0.510  0.443  1.0
  Cl  Cl41  1  0.576  0.738  0.058  1.0
  Cl  Cl42  1  0.576  0.738  0.442  1.0
  Cl  Cl43  1  0.620  0.759  0.844  1.0
  Cl  Cl44  1  0.200  0.994  0.656  1.0
  Cl  Cl45  1  0.700  0.506  0.344  1.0
  Cl  Cl46  1  0.300  0.494  0.656  1.0
  Cl  Cl47  1  0.700  0.506  0.156  1.0
[/CIF]
.