The crystal structure described by Mo is beta Plutonium-like structured and crystallizes in the monoclinic P2_1 space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(4), one Mo(5), two equivalent Mo(1), three equivalent Mo(2), and three equivalent Mo(8) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(4), one Mo(8), two equivalent Mo(2), three equivalent Mo(1), and three equivalent Mo(5) atoms. In the third Mo site, Mo(3) is bonded in a 12-coordinate geometry to one Mo(1), one Mo(2), one Mo(8), two equivalent Mo(4), two equivalent Mo(5), two equivalent Mo(7), and three equivalent Mo(6) atoms. In the fourth Mo site, Mo(4) is bonded in a 12-coordinate geometry to one Mo(1), one Mo(2), one Mo(5), two equivalent Mo(3), two equivalent Mo(6), two equivalent Mo(8), and three equivalent Mo(7) atoms. In the fifth Mo site, Mo(5) is bonded in a 11-coordinate geometry to one Mo(1), one Mo(4), one Mo(6), one Mo(7), two equivalent Mo(3), two equivalent Mo(8), and three equivalent Mo(2) atoms. In the sixth Mo site, Mo(6) is bonded in a 13-coordinate geometry to one Mo(5), one Mo(8), two equivalent Mo(4), two equivalent Mo(6), three equivalent Mo(3), and four equivalent Mo(7) atoms. In the seventh Mo site, Mo(7) is bonded in a 13-coordinate geometry to one Mo(5), one Mo(8), two equivalent Mo(3), two equivalent Mo(7), three equivalent Mo(4), and four equivalent Mo(6) atoms. In the eighth Mo site, Mo(8) is bonded in a 8-coordinate geometry to one Mo(2), one Mo(3), one Mo(6), one Mo(7), two equivalent Mo(4), two equivalent Mo(5), and three equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.069
_cell_length_b   5.193
_cell_length_c   5.039
_cell_angle_alpha   90.000
_cell_angle_beta   97.754
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.120
_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  0.563  0.518  0.978  1.0
  Mo  Mo1  1  0.437  0.018  0.022  1.0
  Mo  Mo2  1  0.562  0.266  0.479  1.0
  Mo  Mo3  1  0.438  0.766  0.521  1.0
  Mo  Mo4  1  0.808  0.291  0.367  1.0
  Mo  Mo5  1  0.192  0.791  0.633  1.0
  Mo  Mo6  1  0.809  0.472  0.864  1.0
  Mo  Mo7  1  0.191  0.972  0.136  1.0
  Mo  Mo8  1  0.687  0.776  0.428  1.0
  Mo  Mo9  1  0.313  0.276  0.572  1.0
  Mo  Mo10  1  0.936  0.831  0.317  1.0
  Mo  Mo11  1  0.064  0.331  0.683  1.0
  Mo  Mo12  1  0.936  0.927  0.817  1.0
  Mo  Mo13  1  0.064  0.427  0.183  1.0
  Mo  Mo14  1  0.688  0.999  0.925  1.0
  Mo  Mo15  1  0.312  0.499  0.075  1.0
[/CIF]
.
The crystal structure described by Mo is beta Plutonium-like structured and crystallizes in the monoclinic P2_1 space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(4), one Mo(5), two equivalent Mo(1), three equivalent Mo(2), and three equivalent Mo(8) atoms. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Mo(3), one Mo(4), one Mo(8), two equivalent Mo(2), three equivalent Mo(1), and three equivalent Mo(5) atoms. In the third Mo site, Mo(3) is bonded in a 12-coordinate geometry to one Mo(1), one Mo(2), one Mo(8), two equivalent Mo(4), two equivalent Mo(5), two equivalent Mo(7), and three equivalent Mo(6) atoms. In the fourth Mo site, Mo(4) is bonded in a 12-coordinate geometry to one Mo(1), one Mo(2), one Mo(5), two equivalent Mo(3), two equivalent Mo(6), two equivalent Mo(8), and three equivalent Mo(7) atoms. In the fifth Mo site, Mo(5) is bonded in a 11-coordinate geometry to one Mo(1), one Mo(4), one Mo(6), one Mo(7), two equivalent Mo(3), two equivalent Mo(8), and three equivalent Mo(2) atoms. In the sixth Mo site, Mo(6) is bonded in a 13-coordinate geometry to one Mo(5), one Mo(8), two equivalent Mo(4), two equivalent Mo(6), three equivalent Mo(3), and four equivalent Mo(7) atoms. In the seventh Mo site, Mo(7) is bonded in a 13-coordinate geometry to one Mo(5), one Mo(8), two equivalent Mo(3), two equivalent Mo(7), three equivalent Mo(4), and four equivalent Mo(6) atoms. In the eighth Mo site, Mo(8) is bonded in a 8-coordinate geometry to one Mo(2), one Mo(3), one Mo(6), one Mo(7), two equivalent Mo(4), two equivalent Mo(5), and three equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.069
_cell_length_b   5.193
_cell_length_c   5.039
_cell_angle_alpha   90.000
_cell_angle_beta   97.754
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.120
_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  0.563  0.518  0.978  1.0
  Mo  Mo1  1  0.437  0.018  0.022  1.0
  Mo  Mo2  1  0.562  0.266  0.479  1.0
  Mo  Mo3  1  0.438  0.766  0.521  1.0
  Mo  Mo4  1  0.808  0.291  0.367  1.0
  Mo  Mo5  1  0.192  0.791  0.633  1.0
  Mo  Mo6  1  0.809  0.472  0.864  1.0
  Mo  Mo7  1  0.191  0.972  0.136  1.0
  Mo  Mo8  1  0.687  0.776  0.428  1.0
  Mo  Mo9  1  0.313  0.276  0.572  1.0
  Mo  Mo10  1  0.936  0.831  0.317  1.0
  Mo  Mo11  1  0.064  0.331  0.683  1.0
  Mo  Mo12  1  0.936  0.927  0.817  1.0
  Mo  Mo13  1  0.064  0.427  0.183  1.0
  Mo  Mo14  1  0.688  0.999  0.925  1.0
  Mo  Mo15  1  0.312  0.499  0.075  1.0
[/CIF]
.