The compound described by PMo12 is gamma-brass-like structured and crystallizes in the trigonal R3 space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 13-coordinate geometry to one Mo(2), one Mo(4), one Mo(5), 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(4), one Mo(7), two equivalent Mo(3), two equivalent Mo(5), two equivalent Mo(6), and two equivalent Mo(8) 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 12-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(6), two equivalent Mo(4), two equivalent Mo(5), two equivalent Mo(7), one P(1), and one P(2) atom. In the fifth Mo site, Mo(5) is bonded in a 1-coordinate geometry to one Mo(1), one Mo(3), one Mo(6), one Mo(8), two equivalent Mo(2), two equivalent Mo(4), two equivalent Mo(7), and one P(1) atom. In the sixth Mo site, Mo(6) is bonded in a 11-coordinate geometry to one Mo(3), one Mo(4), one Mo(5), one Mo(8), two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(7), and one P(2) atom. In the seventh Mo site, Mo(7) is bonded in a 12-coordinate geometry 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. In the eighth Mo site, Mo(8) is bonded in a 11-coordinate geometry to one Mo(5), one Mo(6), one Mo(7), two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(3), and two equivalent Mo(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to three equivalent Mo(4) and three equivalent Mo(5) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Mo(4), 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   7.533
_cell_length_b   7.533
_cell_length_c   7.533
_cell_angle_alpha   86.786
_cell_angle_beta   86.786
_cell_angle_gamma   86.786
_symmetry_Int_Tables_number   1
_cell_volume   425.444
_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  0.441  0.573  0.242  1.0
  Mo  Mo1  1  0.242  0.441  0.573  1.0
  Mo  Mo2  1  0.573  0.242  0.441  1.0
  Mo  Mo3  1  0.369  0.884  0.050  1.0
  Mo  Mo4  1  0.050  0.369  0.884  1.0
  Mo  Mo5  1  0.884  0.050  0.369  1.0
  Mo  Mo6  1  0.140  0.767  0.376  1.0
  Mo  Mo7  1  0.376  0.140  0.767  1.0
  Mo  Mo8  1  0.767  0.376  0.140  1.0
  Mo  Mo9  1  0.953  0.713  0.672  1.0
  Mo  Mo10  1  0.672  0.953  0.713  1.0
  Mo  Mo11  1  0.713  0.672  0.953  1.0
  Mo  Mo12  1  0.027  0.098  0.659  1.0
  Mo  Mo13  1  0.659  0.027  0.098  1.0
  Mo  Mo14  1  0.098  0.659  0.027  1.0
  Mo  Mo15  1  0.870  0.403  0.525  1.0
  Mo  Mo16  1  0.525  0.870  0.403  1.0
  Mo  Mo17  1  0.403  0.525  0.870  1.0
  Mo  Mo18  1  0.688  0.307  0.808  1.0
  Mo  Mo19  1  0.808  0.688  0.307  1.0
  Mo  Mo20  1  0.307  0.808  0.688  1.0
  Mo  Mo21  1  0.378  0.276  0.095  1.0
  Mo  Mo22  1  0.095  0.378  0.276  1.0
  Mo  Mo23  1  0.276  0.095  0.378  1.0
  P  P24  1  0.932  0.932  0.932  1.0
  P  P25  1  0.618  0.618  0.618  1.0
[/CIF]
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The compound described by PMo12 is gamma-brass-like structured and crystallizes in the trigonal R3 space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 13-coordinate geometry to one Mo(2), one Mo(4), one Mo(5), 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(4), one Mo(7), two equivalent Mo(3), two equivalent Mo(5), two equivalent Mo(6), and two equivalent Mo(8) 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 12-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(6), two equivalent Mo(4), two equivalent Mo(5), two equivalent Mo(7), one P(1), and one P(2) atom. In the fifth Mo site, Mo(5) is bonded in a 1-coordinate geometry to one Mo(1), one Mo(3), one Mo(6), one Mo(8), two equivalent Mo(2), two equivalent Mo(4), two equivalent Mo(7), and one P(1) atom. In the sixth Mo site, Mo(6) is bonded in a 11-coordinate geometry to one Mo(3), one Mo(4), one Mo(5), one Mo(8), two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(7), and one P(2) atom. In the seventh Mo site, Mo(7) is bonded in a 12-coordinate geometry 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. In the eighth Mo site, Mo(8) is bonded in a 11-coordinate geometry to one Mo(5), one Mo(6), one Mo(7), two equivalent Mo(1), two equivalent Mo(2), two equivalent Mo(3), and two equivalent Mo(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to three equivalent Mo(4) and three equivalent Mo(5) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Mo(1), three equivalent Mo(4), 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   7.533
_cell_length_b   7.533
_cell_length_c   7.533
_cell_angle_alpha   86.786
_cell_angle_beta   86.786
_cell_angle_gamma   86.786
_symmetry_Int_Tables_number   1
_cell_volume   425.444
_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  0.441  0.573  0.242  1.0
  Mo  Mo1  1  0.242  0.441  0.573  1.0
  Mo  Mo2  1  0.573  0.242  0.441  1.0
  Mo  Mo3  1  0.369  0.884  0.050  1.0
  Mo  Mo4  1  0.050  0.369  0.884  1.0
  Mo  Mo5  1  0.884  0.050  0.369  1.0
  Mo  Mo6  1  0.140  0.767  0.376  1.0
  Mo  Mo7  1  0.376  0.140  0.767  1.0
  Mo  Mo8  1  0.767  0.376  0.140  1.0
  Mo  Mo9  1  0.953  0.713  0.672  1.0
  Mo  Mo10  1  0.672  0.953  0.713  1.0
  Mo  Mo11  1  0.713  0.672  0.953  1.0
  Mo  Mo12  1  0.027  0.098  0.659  1.0
  Mo  Mo13  1  0.659  0.027  0.098  1.0
  Mo  Mo14  1  0.098  0.659  0.027  1.0
  Mo  Mo15  1  0.870  0.403  0.525  1.0
  Mo  Mo16  1  0.525  0.870  0.403  1.0
  Mo  Mo17  1  0.403  0.525  0.870  1.0
  Mo  Mo18  1  0.688  0.307  0.808  1.0
  Mo  Mo19  1  0.808  0.688  0.307  1.0
  Mo  Mo20  1  0.307  0.808  0.688  1.0
  Mo  Mo21  1  0.378  0.276  0.095  1.0
  Mo  Mo22  1  0.095  0.378  0.276  1.0
  Mo  Mo23  1  0.276  0.095  0.378  1.0
  P  P24  1  0.932  0.932  0.932  1.0
  P  P25  1  0.618  0.618  0.618  1.0
[/CIF]
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