The material structure described by MoP4 is Hausmannite-like structured and crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to two equivalent P(1) and four equivalent P(2) atoms to form MoP6 octahedra that share corners with six equivalent P(2)Mo2P2 tetrahedra, corners with eight equivalent P(1)MoP3 trigonal pyramids, and edges with two equivalent Mo(1)P6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one Mo(1), one P(2), and two equivalent P(1) atoms to form distorted PMoP3 trigonal pyramids that share corners with four equivalent Mo(1)P6 octahedra, corners with seven equivalent P(2)Mo2P2 tetrahedra, and corners with three equivalent P(1)MoP3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 54-68°. In the second P site, P(2) is bonded to two equivalent Mo(1), one P(1), and one P(2) atom to form PMo2P2 tetrahedra that share corners with three equivalent Mo(1)P6 octahedra, corners with four equivalent P(2)Mo2P2 tetrahedra, corners with seven equivalent P(1)MoP3 trigonal pyramids, and  an edgeedge with one P(2)Mo2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.318
_cell_length_b   5.858
_cell_length_c   6.180
_cell_angle_alpha   81.196
_cell_angle_beta   64.518
_cell_angle_gamma   69.159
_symmetry_Int_Tables_number   1
_cell_volume   162.407
_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  0.060  0.250  0.881  1.0
  Mo  Mo1  1  0.940  0.750  0.119  1.0
  P  P2  1  0.502  0.311  0.553  1.0
  P  P3  1  0.945  0.189  0.553  1.0
  P  P4  1  0.186  0.316  0.187  1.0
  P  P5  1  0.627  0.184  0.187  1.0
  P  P6  1  0.814  0.684  0.813  1.0
  P  P7  1  0.373  0.816  0.813  1.0
  P  P8  1  0.055  0.811  0.447  1.0
  P  P9  1  0.498  0.689  0.447  1.0
[/CIF]
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The material structure described by MoP4 is Hausmannite-like structured and crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to two equivalent P(1) and four equivalent P(2) atoms to form MoP6 octahedra that share corners with six equivalent P(2)Mo2P2 tetrahedra, corners with eight equivalent P(1)MoP3 trigonal pyramids, and edges with two equivalent Mo(1)P6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one Mo(1), one P(2), and two equivalent P(1) atoms to form distorted PMoP3 trigonal pyramids that share corners with four equivalent Mo(1)P6 octahedra, corners with seven equivalent P(2)Mo2P2 tetrahedra, and corners with three equivalent P(1)MoP3 trigonal pyramids. The corner-sharing octahedral tilt angles range from 54-68°. In the second P site, P(2) is bonded to two equivalent Mo(1), one P(1), and one P(2) atom to form PMo2P2 tetrahedra that share corners with three equivalent Mo(1)P6 octahedra, corners with four equivalent P(2)Mo2P2 tetrahedra, corners with seven equivalent P(1)MoP3 trigonal pyramids, and  an edgeedge with one P(2)Mo2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MoP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.318
_cell_length_b   5.858
_cell_length_c   6.180
_cell_angle_alpha   81.196
_cell_angle_beta   64.518
_cell_angle_gamma   69.159
_symmetry_Int_Tables_number   1
_cell_volume   162.407
_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  0.060  0.250  0.881  1.0
  Mo  Mo1  1  0.940  0.750  0.119  1.0
  P  P2  1  0.502  0.311  0.553  1.0
  P  P3  1  0.945  0.189  0.553  1.0
  P  P4  1  0.186  0.316  0.187  1.0
  P  P5  1  0.627  0.184  0.187  1.0
  P  P6  1  0.814  0.684  0.813  1.0
  P  P7  1  0.373  0.816  0.813  1.0
  P  P8  1  0.055  0.811  0.447  1.0
  P  P9  1  0.498  0.689  0.447  1.0
[/CIF]
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