The structure described by MoCl4 is Indium-like structured and crystallizes in the trigonal P-31m space group. The structure is zero-dimensional and consists of one MoCl4 cluster. Mo(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form edge-sharing MoCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in an L-shaped geometry to two equivalent Mo(1) atoms. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Mo(1) atom. In the third Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.398
_cell_length_b   12.399
_cell_length_c   6.100
_cell_angle_alpha   90.004
_cell_angle_beta   90.002
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   812.071
_cell_formula_units_Z   6
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  0.827  0.655  0.000  1.0
  Mo  Mo1  1  0.173  0.827  0.000  1.0
  Mo  Mo2  1  0.173  0.345  0.000  1.0
  Mo  Mo3  1  0.827  0.173  0.000  1.0
  Mo  Mo4  1  0.345  0.173  0.000  1.0
  Mo  Mo5  1  0.655  0.827  0.000  1.0
  Cl  Cl6  1  0.167  0.480  0.760  1.0
  Cl  Cl7  1  0.000  0.670  0.778  1.0
  Cl  Cl8  1  0.833  0.314  0.760  1.0
  Cl  Cl9  1  0.169  1.000  0.794  1.0
  Cl  Cl10  1  0.833  0.520  0.240  1.0
  Cl  Cl11  1  0.670  0.670  0.222  1.0
  Cl  Cl12  1  0.000  0.831  0.206  1.0
  Cl  Cl13  1  1.000  0.169  0.794  1.0
  Cl  Cl14  1  0.480  0.167  0.760  1.0
  Cl  Cl15  1  0.167  0.686  0.240  1.0
  Cl  Cl16  1  0.330  1.000  0.222  1.0
  Cl  Cl17  1  0.330  0.330  0.778  1.0
  Cl  Cl18  1  0.686  0.167  0.240  1.0
  Cl  Cl19  1  0.314  0.833  0.760  1.0
  Cl  Cl20  1  0.169  0.169  0.206  1.0
  Cl  Cl21  1  0.314  0.480  0.240  1.0
  Cl  Cl22  1  0.670  0.000  0.778  1.0
  Cl  Cl23  1  0.520  0.686  0.760  1.0
  Cl  Cl24  1  0.831  0.831  0.794  1.0
  Cl  Cl25  1  0.480  0.314  0.240  1.0
  Cl  Cl26  1  0.520  0.833  0.240  1.0
  Cl  Cl27  1  0.686  0.520  0.760  1.0
  Cl  Cl28  1  0.831  0.000  0.206  1.0
  Cl  Cl29  1  1.000  0.330  0.222  1.0
[/CIF]
.
The structure described by MoCl4 is Indium-like structured and crystallizes in the trigonal P-31m space group. The structure is zero-dimensional and consists of one MoCl4 cluster. Mo(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form edge-sharing MoCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in an L-shaped geometry to two equivalent Mo(1) atoms. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Mo(1) atom. In the third Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.398
_cell_length_b   12.399
_cell_length_c   6.100
_cell_angle_alpha   90.004
_cell_angle_beta   90.002
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   812.071
_cell_formula_units_Z   6
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  0.827  0.655  0.000  1.0
  Mo  Mo1  1  0.173  0.827  0.000  1.0
  Mo  Mo2  1  0.173  0.345  0.000  1.0
  Mo  Mo3  1  0.827  0.173  0.000  1.0
  Mo  Mo4  1  0.345  0.173  0.000  1.0
  Mo  Mo5  1  0.655  0.827  0.000  1.0
  Cl  Cl6  1  0.167  0.480  0.760  1.0
  Cl  Cl7  1  0.000  0.670  0.778  1.0
  Cl  Cl8  1  0.833  0.314  0.760  1.0
  Cl  Cl9  1  0.169  1.000  0.794  1.0
  Cl  Cl10  1  0.833  0.520  0.240  1.0
  Cl  Cl11  1  0.670  0.670  0.222  1.0
  Cl  Cl12  1  0.000  0.831  0.206  1.0
  Cl  Cl13  1  1.000  0.169  0.794  1.0
  Cl  Cl14  1  0.480  0.167  0.760  1.0
  Cl  Cl15  1  0.167  0.686  0.240  1.0
  Cl  Cl16  1  0.330  1.000  0.222  1.0
  Cl  Cl17  1  0.330  0.330  0.778  1.0
  Cl  Cl18  1  0.686  0.167  0.240  1.0
  Cl  Cl19  1  0.314  0.833  0.760  1.0
  Cl  Cl20  1  0.169  0.169  0.206  1.0
  Cl  Cl21  1  0.314  0.480  0.240  1.0
  Cl  Cl22  1  0.670  0.000  0.778  1.0
  Cl  Cl23  1  0.520  0.686  0.760  1.0
  Cl  Cl24  1  0.831  0.831  0.794  1.0
  Cl  Cl25  1  0.480  0.314  0.240  1.0
  Cl  Cl26  1  0.520  0.833  0.240  1.0
  Cl  Cl27  1  0.686  0.520  0.760  1.0
  Cl  Cl28  1  0.831  0.000  0.206  1.0
  Cl  Cl29  1  1.000  0.330  0.222  1.0
[/CIF]
.