The crystal structure described by Mo8P5 crystallizes in the monoclinic Pm space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one P(2), two equivalent P(3), and two equivalent P(5) atoms to form distorted edge-sharing MoP5 square pyramids. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one P(1), one P(2), and two equivalent P(5) atoms. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(3), and two equivalent P(4) atoms. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(3), and two equivalent P(4) atoms. In the fifth Mo site, Mo(5) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(4), and two equivalent P(5) atoms. In the sixth Mo site, Mo(6) is bonded in a distorted L-shaped geometry to two equivalent P(2) atoms. In the seventh Mo site, Mo(7) is bonded in a 5-coordinate geometry to one P(5), two equivalent P(1), and two equivalent P(2) atoms. In the eighth Mo site, Mo(8) is bonded in a 3-coordinate geometry to one P(3) and two equivalent P(1) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to one Mo(2), one Mo(4), one Mo(5), two equivalent Mo(7), and two equivalent Mo(8) atoms. In the second P site, P(2) is bonded in a 7-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), two equivalent Mo(6), and two equivalent Mo(7) atoms. In the third P site, P(3) is bonded in a 7-coordinate geometry to one Mo(8), two equivalent Mo(1), two equivalent Mo(3), and two equivalent Mo(4) atoms. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to two equivalent Mo(3), two equivalent Mo(4), and two equivalent Mo(5) atoms. In the fifth P site, P(5) is bonded in a 7-coordinate geometry to one Mo(7), two equivalent Mo(1), two equivalent Mo(2), and two equivalent Mo(5) atoms. is represented by the CIF card [CIF]
data_Mo8P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.201
_cell_length_b   6.546
_cell_length_c   9.411
_cell_angle_alpha   109.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.879
_cell_formula_units_Z   1
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  0.000  0.005  0.003  1.0
  Mo  Mo1  1  0.000  0.236  0.780  1.0
  Mo  Mo2  1  0.000  0.789  0.249  1.0
  Mo  Mo3  1  0.000  0.359  0.308  1.0
  Mo  Mo4  1  0.000  0.798  0.571  1.0
  Mo  Mo5  1  0.500  0.398  0.051  1.0
  Mo  Mo6  1  0.500  0.609  0.781  1.0
  Mo  Mo7  1  0.500  0.130  0.498  1.0
  P  P8  1  0.000  0.424  0.575  1.0
  P  P9  1  0.000  0.625  0.982  1.0
  P  P10  1  0.500  0.063  0.209  1.0
  P  P11  1  0.500  0.653  0.376  1.0
  P  P12  1  0.500  0.978  0.789  1.0
[/CIF]
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The crystal structure described by Mo8P5 crystallizes in the monoclinic Pm space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one P(2), two equivalent P(3), and two equivalent P(5) atoms to form distorted edge-sharing MoP5 square pyramids. In the second Mo site, Mo(2) is bonded in a 4-coordinate geometry to one P(1), one P(2), and two equivalent P(5) atoms. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one P(2), two equivalent P(3), and two equivalent P(4) atoms. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(3), and two equivalent P(4) atoms. In the fifth Mo site, Mo(5) is bonded in a 5-coordinate geometry to one P(1), two equivalent P(4), and two equivalent P(5) atoms. In the sixth Mo site, Mo(6) is bonded in a distorted L-shaped geometry to two equivalent P(2) atoms. In the seventh Mo site, Mo(7) is bonded in a 5-coordinate geometry to one P(5), two equivalent P(1), and two equivalent P(2) atoms. In the eighth Mo site, Mo(8) is bonded in a 3-coordinate geometry to one P(3) and two equivalent P(1) atoms. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to one Mo(2), one Mo(4), one Mo(5), two equivalent Mo(7), and two equivalent Mo(8) atoms. In the second P site, P(2) is bonded in a 7-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), two equivalent Mo(6), and two equivalent Mo(7) atoms. In the third P site, P(3) is bonded in a 7-coordinate geometry to one Mo(8), two equivalent Mo(1), two equivalent Mo(3), and two equivalent Mo(4) atoms. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to two equivalent Mo(3), two equivalent Mo(4), and two equivalent Mo(5) atoms. In the fifth P site, P(5) is bonded in a 7-coordinate geometry to one Mo(7), two equivalent Mo(1), two equivalent Mo(2), and two equivalent Mo(5) atoms. is represented by the CIF card [CIF]
data_Mo8P5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.201
_cell_length_b   6.546
_cell_length_c   9.411
_cell_angle_alpha   109.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.879
_cell_formula_units_Z   1
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  0.000  0.005  0.003  1.0
  Mo  Mo1  1  0.000  0.236  0.780  1.0
  Mo  Mo2  1  0.000  0.789  0.249  1.0
  Mo  Mo3  1  0.000  0.359  0.308  1.0
  Mo  Mo4  1  0.000  0.798  0.571  1.0
  Mo  Mo5  1  0.500  0.398  0.051  1.0
  Mo  Mo6  1  0.500  0.609  0.781  1.0
  Mo  Mo7  1  0.500  0.130  0.498  1.0
  P  P8  1  0.000  0.424  0.575  1.0
  P  P9  1  0.000  0.625  0.982  1.0
  P  P10  1  0.500  0.063  0.209  1.0
  P  P11  1  0.500  0.653  0.376  1.0
  P  P12  1  0.500  0.978  0.789  1.0
[/CIF]
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