The material structure described by PMo12 crystallizes in the trigonal R3 space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 12-coordinate geometry to one Mo(2), one Mo(4), one Mo(7), two equivalent Mo(1), two equivalent Mo(3), two equivalent Mo(6), two equivalent Mo(8), and one P(2) atom. In the second Mo site, Mo(2) is bonded in a 11-coordinate geometry to one Mo(1), one Mo(7), one Mo(8), two equivalent Mo(3), two equivalent Mo(4), two equivalent Mo(5), and two equivalent Mo(6) atoms. In the third Mo site, Mo(3) is bonded in a 11-coordinate geometry to one Mo(4), one Mo(5), one Mo(6), two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(7), and two equivalent Mo(8) atoms. In the fourth Mo site, Mo(4) is bonded in a 1-coordinate geometry to one Mo(1), one Mo(3), one Mo(6), two equivalent Mo(2), two equivalent Mo(7), and one P(1) atom. In the fifth Mo site, Mo(5) is bonded in a 1-coordinate geometry to one Mo(3), one Mo(6), one Mo(8), two equivalent Mo(2), two equivalent Mo(7), and one P(1) atom. In the sixth Mo site, Mo(6) is bonded to one Mo(3), one Mo(4), one Mo(5), two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(7), two equivalent Mo(8), and one P(2) atom to form distorted MoMo11P cuboctahedra that share corners with two equivalent Mo(6)Mo11P cuboctahedra, corners with three equivalent Mo(7)Mo11P cuboctahedra, corners with two equivalent P(1)Mo6 octahedra, edges with two equivalent Mo(7)Mo11P cuboctahedra, edges with four equivalent Mo(6)Mo11P cuboctahedra, and faces with two equivalent Mo(7)Mo11P cuboctahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the seventh Mo site, Mo(7) is bonded to one Mo(1), one Mo(2), one Mo(8), two equivalent Mo(3), two equivalent Mo(4), two equivalent Mo(5), two equivalent Mo(6), and one P(2) atom to form distorted MoMo11P cuboctahedra that share corners with two equivalent Mo(7)Mo11P cuboctahedra, corners with three equivalent Mo(6)Mo11P cuboctahedra,  a cornercorner with one P(1)Mo6 octahedra, edges with two equivalent Mo(6)Mo11P cuboctahedra, edges with four equivalent Mo(7)Mo11P cuboctahedra, faces with two equivalent Mo(6)Mo11P cuboctahedra, and  a faceface with one P(1)Mo6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the eighth Mo site, Mo(8) is bonded in a 11-coordinate geometry to one Mo(2), one Mo(5), one Mo(7), two equivalent Mo(1), two equivalent Mo(3), two equivalent Mo(6), and two equivalent Mo(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Mo(4) and three equivalent Mo(5) atoms to form PMo6 octahedra that share corners with three equivalent Mo(7)Mo11P cuboctahedra, corners with six equivalent Mo(6)Mo11P cuboctahedra, and faces with three equivalent Mo(7)Mo11P cuboctahedra. In the second P site, P(2) is bonded in a distorted q6 geometry to three equivalent Mo(1), three equivalent Mo(6), and three equivalent Mo(7) atoms. is represented by the CIF card [CIF]
data_Mo12P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.584
_cell_length_b   7.584
_cell_length_c   7.584
_cell_angle_alpha   83.353
_cell_angle_beta   83.353
_cell_angle_gamma   83.353
_symmetry_Int_Tables_number   1
_cell_volume   427.982
_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  0.557  0.753  0.432  1.0
  Mo  Mo1  1  0.753  0.432  0.557  1.0
  Mo  Mo2  1  0.432  0.557  0.753  1.0
  Mo  Mo3  1  0.589  0.955  0.116  1.0
  Mo  Mo4  1  0.955  0.116  0.589  1.0
  Mo  Mo5  1  0.116  0.589  0.955  1.0
  Mo  Mo6  1  0.845  0.660  0.184  1.0
  Mo  Mo7  1  0.660  0.184  0.845  1.0
  Mo  Mo8  1  0.184  0.845  0.660  1.0
  Mo  Mo9  1  0.032  0.390  0.309  1.0
  Mo  Mo10  1  0.390  0.309  0.032  1.0
  Mo  Mo11  1  0.309  0.032  0.390  1.0
  Mo  Mo12  1  0.986  0.241  0.899  1.0
  Mo  Mo13  1  0.241  0.899  0.986  1.0
  Mo  Mo14  1  0.899  0.986  0.241  1.0
  Mo  Mo15  1  0.110  0.471  0.624  1.0
  Mo  Mo16  1  0.471  0.624  0.110  1.0
  Mo  Mo17  1  0.624  0.110  0.471  1.0
  Mo  Mo18  1  0.326  0.186  0.697  1.0
  Mo  Mo19  1  0.186  0.697  0.326  1.0
  Mo  Mo20  1  0.697  0.326  0.186  1.0
  Mo  Mo21  1  0.556  0.865  0.774  1.0
  Mo  Mo22  1  0.865  0.774  0.556  1.0
  Mo  Mo23  1  0.774  0.556  0.865  1.0
  P  P24  1  0.146  0.146  0.146  1.0
  P  P25  1  0.438  0.438  0.438  1.0
[/CIF]
.
The material structure described by PMo12 crystallizes in the trigonal R3 space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 12-coordinate geometry to one Mo(2), one Mo(4), one Mo(7), two equivalent Mo(1), two equivalent Mo(3), two equivalent Mo(6), two equivalent Mo(8), and one P(2) atom. In the second Mo site, Mo(2) is bonded in a 11-coordinate geometry to one Mo(1), one Mo(7), one Mo(8), two equivalent Mo(3), two equivalent Mo(4), two equivalent Mo(5), and two equivalent Mo(6) atoms. In the third Mo site, Mo(3) is bonded in a 11-coordinate geometry to one Mo(4), one Mo(5), one Mo(6), two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(7), and two equivalent Mo(8) atoms. In the fourth Mo site, Mo(4) is bonded in a 1-coordinate geometry to one Mo(1), one Mo(3), one Mo(6), two equivalent Mo(2), two equivalent Mo(7), and one P(1) atom. In the fifth Mo site, Mo(5) is bonded in a 1-coordinate geometry to one Mo(3), one Mo(6), one Mo(8), two equivalent Mo(2), two equivalent Mo(7), and one P(1) atom. In the sixth Mo site, Mo(6) is bonded to one Mo(3), one Mo(4), one Mo(5), two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(7), two equivalent Mo(8), and one P(2) atom to form distorted MoMo11P cuboctahedra that share corners with two equivalent Mo(6)Mo11P cuboctahedra, corners with three equivalent Mo(7)Mo11P cuboctahedra, corners with two equivalent P(1)Mo6 octahedra, edges with two equivalent Mo(7)Mo11P cuboctahedra, edges with four equivalent Mo(6)Mo11P cuboctahedra, and faces with two equivalent Mo(7)Mo11P cuboctahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the seventh Mo site, Mo(7) is bonded to one Mo(1), one Mo(2), one Mo(8), two equivalent Mo(3), two equivalent Mo(4), two equivalent Mo(5), two equivalent Mo(6), and one P(2) atom to form distorted MoMo11P cuboctahedra that share corners with two equivalent Mo(7)Mo11P cuboctahedra, corners with three equivalent Mo(6)Mo11P cuboctahedra,  a cornercorner with one P(1)Mo6 octahedra, edges with two equivalent Mo(6)Mo11P cuboctahedra, edges with four equivalent Mo(7)Mo11P cuboctahedra, faces with two equivalent Mo(6)Mo11P cuboctahedra, and  a faceface with one P(1)Mo6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the eighth Mo site, Mo(8) is bonded in a 11-coordinate geometry to one Mo(2), one Mo(5), one Mo(7), two equivalent Mo(1), two equivalent Mo(3), two equivalent Mo(6), and two equivalent Mo(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Mo(4) and three equivalent Mo(5) atoms to form PMo6 octahedra that share corners with three equivalent Mo(7)Mo11P cuboctahedra, corners with six equivalent Mo(6)Mo11P cuboctahedra, and faces with three equivalent Mo(7)Mo11P cuboctahedra. In the second P site, P(2) is bonded in a distorted q6 geometry to three equivalent Mo(1), three equivalent Mo(6), and three equivalent Mo(7) atoms. is represented by the CIF card [CIF]
data_Mo12P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.584
_cell_length_b   7.584
_cell_length_c   7.584
_cell_angle_alpha   83.353
_cell_angle_beta   83.353
_cell_angle_gamma   83.353
_symmetry_Int_Tables_number   1
_cell_volume   427.982
_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  0.557  0.753  0.432  1.0
  Mo  Mo1  1  0.753  0.432  0.557  1.0
  Mo  Mo2  1  0.432  0.557  0.753  1.0
  Mo  Mo3  1  0.589  0.955  0.116  1.0
  Mo  Mo4  1  0.955  0.116  0.589  1.0
  Mo  Mo5  1  0.116  0.589  0.955  1.0
  Mo  Mo6  1  0.845  0.660  0.184  1.0
  Mo  Mo7  1  0.660  0.184  0.845  1.0
  Mo  Mo8  1  0.184  0.845  0.660  1.0
  Mo  Mo9  1  0.032  0.390  0.309  1.0
  Mo  Mo10  1  0.390  0.309  0.032  1.0
  Mo  Mo11  1  0.309  0.032  0.390  1.0
  Mo  Mo12  1  0.986  0.241  0.899  1.0
  Mo  Mo13  1  0.241  0.899  0.986  1.0
  Mo  Mo14  1  0.899  0.986  0.241  1.0
  Mo  Mo15  1  0.110  0.471  0.624  1.0
  Mo  Mo16  1  0.471  0.624  0.110  1.0
  Mo  Mo17  1  0.624  0.110  0.471  1.0
  Mo  Mo18  1  0.326  0.186  0.697  1.0
  Mo  Mo19  1  0.186  0.697  0.326  1.0
  Mo  Mo20  1  0.697  0.326  0.186  1.0
  Mo  Mo21  1  0.556  0.865  0.774  1.0
  Mo  Mo22  1  0.865  0.774  0.556  1.0
  Mo  Mo23  1  0.774  0.556  0.865  1.0
  P  P24  1  0.146  0.146  0.146  1.0
  P  P25  1  0.438  0.438  0.438  1.0
[/CIF]
.