The material structure described by Mo10Si5P crystallizes in the tetragonal I422 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Si(2), four equivalent Si(1), and one P(1) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Mo(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Mo(2) and eight equivalent Mo(1) atoms. In the second Si site, Si(2) is bonded in a distorted q6 geometry to eight equivalent Mo(1) and two equivalent P(1) atoms. P(1) is bonded in a 10-coordinate geometry to eight equivalent Mo(1) and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Si5Mo10P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.929
_cell_length_b   7.262
_cell_length_c   7.262
_cell_angle_alpha   96.614
_cell_angle_beta   109.839
_cell_angle_gamma   70.161
_symmetry_Int_Tables_number   1
_cell_volume   230.031
_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
  Si  Si0  1  0.332  0.500  0.165  1.0
  Si  Si1  1  0.668  0.500  0.835  1.0
  Si  Si2  1  0.832  0.835  0.500  1.0
  Si  Si3  1  0.168  0.165  0.500  1.0
  Si  Si4  1  0.750  0.000  0.000  1.0
  Mo  Mo5  1  0.422  0.852  0.701  1.0
  Mo  Mo6  1  0.574  0.148  0.299  1.0
  Mo  Mo7  1  0.926  0.299  0.148  1.0
  Mo  Mo8  1  0.078  0.701  0.852  1.0
  Mo  Mo9  1  0.722  0.701  0.148  1.0
  Mo  Mo10  1  0.275  0.299  0.852  1.0
  Mo  Mo11  1  0.778  0.148  0.701  1.0
  Mo  Mo12  1  0.225  0.852  0.299  1.0
  Mo  Mo13  1  0.250  0.500  0.500  1.0
  Mo  Mo14  1  0.750  0.500  0.500  1.0
  P  P15  1  0.250  0.000  0.000  1.0
[/CIF]
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The material structure described by Mo10Si5P crystallizes in the tetragonal I422 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one Si(2), four equivalent Si(1), and one P(1) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Mo(2) and four equivalent Si(1) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Mo(2) and eight equivalent Mo(1) atoms. In the second Si site, Si(2) is bonded in a distorted q6 geometry to eight equivalent Mo(1) and two equivalent P(1) atoms. P(1) is bonded in a 10-coordinate geometry to eight equivalent Mo(1) and two equivalent Si(2) atoms. is represented by the CIF file [CIF]
data_Si5Mo10P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.929
_cell_length_b   7.262
_cell_length_c   7.262
_cell_angle_alpha   96.614
_cell_angle_beta   109.839
_cell_angle_gamma   70.161
_symmetry_Int_Tables_number   1
_cell_volume   230.031
_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
  Si  Si0  1  0.332  0.500  0.165  1.0
  Si  Si1  1  0.668  0.500  0.835  1.0
  Si  Si2  1  0.832  0.835  0.500  1.0
  Si  Si3  1  0.168  0.165  0.500  1.0
  Si  Si4  1  0.750  0.000  0.000  1.0
  Mo  Mo5  1  0.422  0.852  0.701  1.0
  Mo  Mo6  1  0.574  0.148  0.299  1.0
  Mo  Mo7  1  0.926  0.299  0.148  1.0
  Mo  Mo8  1  0.078  0.701  0.852  1.0
  Mo  Mo9  1  0.722  0.701  0.148  1.0
  Mo  Mo10  1  0.275  0.299  0.852  1.0
  Mo  Mo11  1  0.778  0.148  0.701  1.0
  Mo  Mo12  1  0.225  0.852  0.299  1.0
  Mo  Mo13  1  0.250  0.500  0.500  1.0
  Mo  Mo14  1  0.750  0.500  0.500  1.0
  P  P15  1  0.250  0.000  0.000  1.0
[/CIF]
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