The crystal structure described by Mo crystallizes in the monoclinic P2/c space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 14-coordinate geometry to two equivalent Mo(4), four equivalent Mo(1), four equivalent Mo(2), and four equivalent Mo(3) atoms. In the second Mo site, Mo(3) is bonded in a 12-coordinate geometry to two equivalent Mo(2), two equivalent Mo(3), four equivalent Mo(1), and four equivalent Mo(4) atoms. In the third Mo site, Mo(2) is bonded in a 9-coordinate geometry to one Mo(4), two equivalent Mo(3), three equivalent Mo(2), and four equivalent Mo(1) atoms. In the fourth Mo site, Mo(4) is bonded in a 8-coordinate geometry to one Mo(2), two equivalent Mo(1), three equivalent Mo(4), and four equivalent Mo(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.631
_cell_length_b   7.884
_cell_length_c   13.658
_cell_angle_alpha   101.213
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.872
_cell_formula_units_Z   16
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  0.680  0.943  0.582  1.0
  Mo  Mo1  1  0.680  0.057  0.918  1.0
  Mo  Mo2  1  0.320  0.057  0.418  1.0
  Mo  Mo3  1  0.320  0.943  0.082  1.0
  Mo  Mo4  1  0.166  0.825  0.748  1.0
  Mo  Mo5  1  0.166  0.175  0.752  1.0
  Mo  Mo6  1  0.834  0.175  0.252  1.0
  Mo  Mo7  1  0.834  0.825  0.248  1.0
  Mo  Mo8  1  0.939  0.718  0.912  1.0
  Mo  Mo9  1  0.939  0.282  0.588  1.0
  Mo  Mo10  1  0.061  0.282  0.088  1.0
  Mo  Mo11  1  0.061  0.718  0.412  1.0
  Mo  Mo12  1  0.612  0.607  0.084  1.0
  Mo  Mo13  1  0.612  0.393  0.416  1.0
  Mo  Mo14  1  0.388  0.393  0.916  1.0
  Mo  Mo15  1  0.388  0.607  0.584  1.0
[/CIF]
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The crystal structure described by Mo crystallizes in the monoclinic P2/c space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 14-coordinate geometry to two equivalent Mo(4), four equivalent Mo(1), four equivalent Mo(2), and four equivalent Mo(3) atoms. In the second Mo site, Mo(3) is bonded in a 12-coordinate geometry to two equivalent Mo(2), two equivalent Mo(3), four equivalent Mo(1), and four equivalent Mo(4) atoms. In the third Mo site, Mo(2) is bonded in a 9-coordinate geometry to one Mo(4), two equivalent Mo(3), three equivalent Mo(2), and four equivalent Mo(1) atoms. In the fourth Mo site, Mo(4) is bonded in a 8-coordinate geometry to one Mo(2), two equivalent Mo(1), three equivalent Mo(4), and four equivalent Mo(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.631
_cell_length_b   7.884
_cell_length_c   13.658
_cell_angle_alpha   101.213
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.872
_cell_formula_units_Z   16
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  0.680  0.943  0.582  1.0
  Mo  Mo1  1  0.680  0.057  0.918  1.0
  Mo  Mo2  1  0.320  0.057  0.418  1.0
  Mo  Mo3  1  0.320  0.943  0.082  1.0
  Mo  Mo4  1  0.166  0.825  0.748  1.0
  Mo  Mo5  1  0.166  0.175  0.752  1.0
  Mo  Mo6  1  0.834  0.175  0.252  1.0
  Mo  Mo7  1  0.834  0.825  0.248  1.0
  Mo  Mo8  1  0.939  0.718  0.912  1.0
  Mo  Mo9  1  0.939  0.282  0.588  1.0
  Mo  Mo10  1  0.061  0.282  0.088  1.0
  Mo  Mo11  1  0.061  0.718  0.412  1.0
  Mo  Mo12  1  0.612  0.607  0.084  1.0
  Mo  Mo13  1  0.612  0.393  0.416  1.0
  Mo  Mo14  1  0.388  0.393  0.916  1.0
  Mo  Mo15  1  0.388  0.607  0.584  1.0
[/CIF]
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