The material structure described by Mo17Ni15P12 crystallizes in the triclinic P-1 space group. There are nine inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to one Mo(9), one Ni(1), one Ni(2), one Ni(3), one Ni(4), one Ni(5), one P(1), one P(3), one P(5), and one P(6) atom. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Mo(4), one Ni(1), one Ni(2), one Ni(3), one Ni(4), one Ni(5), one Ni(8), one P(2), one P(4), one P(5), and one P(6) atom. In the third Mo site, Mo(3) is bonded in a 9-coordinate geometry to one Ni(4), one Ni(5), one Ni(8), two equivalent Ni(7), one P(4), one P(5), and two equivalent P(2) atoms. In the fourth Mo site, Mo(4) is bonded in a 13-coordinate geometry to one Mo(2), one Mo(4), one Mo(6), one Mo(7), one Mo(9), one Ni(3), one Ni(5), two equivalent Ni(6), one P(3), one P(6), and two equivalent P(1) atoms. In the fifth Mo site, Mo(5) is bonded in a 9-coordinate geometry to one Ni(3), one Ni(5), one Ni(8), two equivalent Ni(7), one P(2), one P(5), and two equivalent P(4) atoms. In the sixth Mo site, Mo(6) is bonded in a 13-coordinate geometry to one Mo(4), one Mo(6), one Mo(7), one Mo(9), one Ni(2), one Ni(4), one Ni(5), two equivalent Ni(6), one P(1), one P(6), and two equivalent P(3) atoms. In the seventh Mo site, Mo(7) is bonded in a 8-coordinate geometry to one Mo(4), one Mo(6), one Mo(9), one Ni(1), one Ni(2), two equivalent Ni(6), one P(1), one P(3), and two equivalent P(6) atoms. In the eighth Mo site, Mo(8) is bonded in a 9-coordinate geometry to one Ni(1), one Ni(2), one Ni(8), two equivalent Ni(7), one P(2), one P(4), and two equivalent P(5) atoms. In the ninth Mo site, Mo(9) is bonded in a distorted octahedral geometry to two equivalent Mo(1), two equivalent Mo(4), two equivalent Mo(6), two equivalent Mo(7), two equivalent P(1), two equivalent P(3), and two equivalent P(6) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Mo(7), one Mo(8), one P(1), and one P(4) atom. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Mo(6), one Mo(7), one Mo(8), one P(2), and one P(3) atom. In the third Ni site, Ni(3) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Mo(4), one Mo(5), one P(3), and one P(5) atom. In the fourth Ni site, Ni(4) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(6), one P(4), and one P(6) atom. In the fifth Ni site, Ni(5) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(4), one Mo(5), one Mo(6), one P(1), and one P(2) atom. In the sixth Ni site, Ni(6) is bonded in a 3-coordinate geometry to two equivalent Mo(4), two equivalent Mo(6), two equivalent Mo(7), one P(1), one P(3), and one P(6) atom. In the seventh Ni site, Ni(7) is bonded in a 3-coordinate geometry to two equivalent Mo(3), two equivalent Mo(5), two equivalent Mo(8), one P(2), one P(4), and one P(5) atom. In the eighth Ni site, Ni(8) is bonded in a 14-coordinate geometry to two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(5), two equivalent Mo(8), two equivalent P(2), two equivalent P(4), and two equivalent P(5) atoms. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(6), one Mo(7), one Mo(9), two equivalent Mo(4), one Ni(1), one Ni(5), and one Ni(6) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(5), one Mo(8), two equivalent Mo(3), one Ni(2), one Ni(5), one Ni(7), and one Ni(8) atom. In the third P site, P(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(4), one Mo(7), one Mo(9), two equivalent Mo(6), one Ni(2), one Ni(3), and one Ni(6) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(3), one Mo(8), two equivalent Mo(5), one Ni(1), one Ni(4), one Ni(7), and one Ni(8) atom. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(5), two equivalent Mo(8), one Ni(3), one Ni(7), and one Ni(8) atom. In the sixth P site, P(6) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(2), one Mo(4), one Mo(6), one Mo(9), two equivalent Mo(7), one Ni(4), and one Ni(6) atom. is represented by the CIF file [CIF]
data_Ni15Mo17P12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.038
_cell_length_b   7.058
_cell_length_c   13.335
_cell_angle_alpha   98.520
_cell_angle_beta   92.954
_cell_angle_gamma   119.705
_symmetry_Int_Tables_number   1
_cell_volume   562.942
_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
  Ni  Ni0  1  0.781  0.169  0.749  1.0
  Ni  Ni1  1  0.780  0.667  0.249  1.0
  Ni  Ni2  1  0.220  0.333  0.751  1.0
  Ni  Ni3  1  0.219  0.831  0.251  1.0
  Ni  Ni4  1  0.365  0.034  0.749  1.0
  Ni  Ni5  1  0.365  0.533  0.249  1.0
  Ni  Ni6  1  0.635  0.467  0.751  1.0
  Ni  Ni7  1  0.635  0.966  0.251  1.0
  Ni  Ni8  1  0.501  0.749  0.749  1.0
  Ni  Ni9  1  0.499  0.251  0.251  1.0
  Ni  Ni10  1  0.644  0.296  0.916  1.0
  Ni  Ni11  1  0.644  0.796  0.415  1.0
  Ni  Ni12  1  0.356  0.204  0.585  1.0
  Ni  Ni13  1  0.356  0.704  0.084  1.0
  Ni  Ni14  1  0.000  0.500  0.500  1.0
  Mo  Mo15  1  0.942  0.915  0.778  1.0
  Mo  Mo16  1  0.942  0.413  0.286  1.0
  Mo  Mo17  1  0.058  0.587  0.714  1.0
  Mo  Mo18  1  0.058  0.085  0.222  1.0
  Mo  Mo19  1  0.703  0.631  0.579  1.0
  Mo  Mo20  1  0.699  0.134  0.081  1.0
  Mo  Mo21  1  0.301  0.866  0.919  1.0
  Mo  Mo22  1  0.297  0.369  0.421  1.0
  Mo  Mo23  1  0.432  0.852  0.571  1.0
  Mo  Mo24  1  0.441  0.358  0.072  1.0
  Mo  Mo25  1  0.559  0.642  0.928  1.0
  Mo  Mo26  1  0.568  0.148  0.429  1.0
  Mo  Mo27  1  0.076  0.391  0.924  1.0
  Mo  Mo28  1  0.075  0.884  0.425  1.0
  Mo  Mo29  1  0.925  0.116  0.575  1.0
  Mo  Mo30  1  0.924  0.609  0.076  1.0
  Mo  Mo31  1  0.000  0.000  0.000  1.0
  P  P32  1  0.702  0.015  0.889  1.0
  P  P33  1  0.708  0.517  0.393  1.0
  P  P34  1  0.292  0.483  0.607  1.0
  P  P35  1  0.298  0.985  0.111  1.0
  P  P36  1  0.299  0.216  0.884  1.0
  P  P37  1  0.299  0.716  0.386  1.0
  P  P38  1  0.701  0.284  0.614  1.0
  P  P39  1  0.701  0.784  0.116  1.0
  P  P40  1  0.097  0.881  0.615  1.0
  P  P41  1  0.097  0.382  0.118  1.0
  P  P42  1  0.903  0.618  0.882  1.0
  P  P43  1  0.903  0.119  0.385  1.0
[/CIF]
.
The material structure described by Mo17Ni15P12 crystallizes in the triclinic P-1 space group. There are nine inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 9-coordinate geometry to one Mo(9), one Ni(1), one Ni(2), one Ni(3), one Ni(4), one Ni(5), one P(1), one P(3), one P(5), and one P(6) atom. In the second Mo site, Mo(2) is bonded in a 10-coordinate geometry to one Mo(4), one Ni(1), one Ni(2), one Ni(3), one Ni(4), one Ni(5), one Ni(8), one P(2), one P(4), one P(5), and one P(6) atom. In the third Mo site, Mo(3) is bonded in a 9-coordinate geometry to one Ni(4), one Ni(5), one Ni(8), two equivalent Ni(7), one P(4), one P(5), and two equivalent P(2) atoms. In the fourth Mo site, Mo(4) is bonded in a 13-coordinate geometry to one Mo(2), one Mo(4), one Mo(6), one Mo(7), one Mo(9), one Ni(3), one Ni(5), two equivalent Ni(6), one P(3), one P(6), and two equivalent P(1) atoms. In the fifth Mo site, Mo(5) is bonded in a 9-coordinate geometry to one Ni(3), one Ni(5), one Ni(8), two equivalent Ni(7), one P(2), one P(5), and two equivalent P(4) atoms. In the sixth Mo site, Mo(6) is bonded in a 13-coordinate geometry to one Mo(4), one Mo(6), one Mo(7), one Mo(9), one Ni(2), one Ni(4), one Ni(5), two equivalent Ni(6), one P(1), one P(6), and two equivalent P(3) atoms. In the seventh Mo site, Mo(7) is bonded in a 8-coordinate geometry to one Mo(4), one Mo(6), one Mo(9), one Ni(1), one Ni(2), two equivalent Ni(6), one P(1), one P(3), and two equivalent P(6) atoms. In the eighth Mo site, Mo(8) is bonded in a 9-coordinate geometry to one Ni(1), one Ni(2), one Ni(8), two equivalent Ni(7), one P(2), one P(4), and two equivalent P(5) atoms. In the ninth Mo site, Mo(9) is bonded in a distorted octahedral geometry to two equivalent Mo(1), two equivalent Mo(4), two equivalent Mo(6), two equivalent Mo(7), two equivalent P(1), two equivalent P(3), and two equivalent P(6) atoms. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Mo(7), one Mo(8), one P(1), and one P(4) atom. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Mo(6), one Mo(7), one Mo(8), one P(2), and one P(3) atom. In the third Ni site, Ni(3) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Mo(4), one Mo(5), one P(3), and one P(5) atom. In the fourth Ni site, Ni(4) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(6), one P(4), and one P(6) atom. In the fifth Ni site, Ni(5) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(4), one Mo(5), one Mo(6), one P(1), and one P(2) atom. In the sixth Ni site, Ni(6) is bonded in a 3-coordinate geometry to two equivalent Mo(4), two equivalent Mo(6), two equivalent Mo(7), one P(1), one P(3), and one P(6) atom. In the seventh Ni site, Ni(7) is bonded in a 3-coordinate geometry to two equivalent Mo(3), two equivalent Mo(5), two equivalent Mo(8), one P(2), one P(4), and one P(5) atom. In the eighth Ni site, Ni(8) is bonded in a 14-coordinate geometry to two equivalent Mo(2), two equivalent Mo(3), two equivalent Mo(5), two equivalent Mo(8), two equivalent P(2), two equivalent P(4), and two equivalent P(5) atoms. There are six inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(6), one Mo(7), one Mo(9), two equivalent Mo(4), one Ni(1), one Ni(5), and one Ni(6) atom. In the second P site, P(2) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(5), one Mo(8), two equivalent Mo(3), one Ni(2), one Ni(5), one Ni(7), and one Ni(8) atom. In the third P site, P(3) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(4), one Mo(7), one Mo(9), two equivalent Mo(6), one Ni(2), one Ni(3), and one Ni(6) atom. In the fourth P site, P(4) is bonded in a 9-coordinate geometry to one Mo(2), one Mo(3), one Mo(8), two equivalent Mo(5), one Ni(1), one Ni(4), one Ni(7), and one Ni(8) atom. In the fifth P site, P(5) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(5), two equivalent Mo(8), one Ni(3), one Ni(7), and one Ni(8) atom. In the sixth P site, P(6) is bonded in a 9-coordinate geometry to one Mo(1), one Mo(2), one Mo(4), one Mo(6), one Mo(9), two equivalent Mo(7), one Ni(4), and one Ni(6) atom. is represented by the CIF file [CIF]
data_Ni15Mo17P12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.038
_cell_length_b   7.058
_cell_length_c   13.335
_cell_angle_alpha   98.520
_cell_angle_beta   92.954
_cell_angle_gamma   119.705
_symmetry_Int_Tables_number   1
_cell_volume   562.942
_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
  Ni  Ni0  1  0.781  0.169  0.749  1.0
  Ni  Ni1  1  0.780  0.667  0.249  1.0
  Ni  Ni2  1  0.220  0.333  0.751  1.0
  Ni  Ni3  1  0.219  0.831  0.251  1.0
  Ni  Ni4  1  0.365  0.034  0.749  1.0
  Ni  Ni5  1  0.365  0.533  0.249  1.0
  Ni  Ni6  1  0.635  0.467  0.751  1.0
  Ni  Ni7  1  0.635  0.966  0.251  1.0
  Ni  Ni8  1  0.501  0.749  0.749  1.0
  Ni  Ni9  1  0.499  0.251  0.251  1.0
  Ni  Ni10  1  0.644  0.296  0.916  1.0
  Ni  Ni11  1  0.644  0.796  0.415  1.0
  Ni  Ni12  1  0.356  0.204  0.585  1.0
  Ni  Ni13  1  0.356  0.704  0.084  1.0
  Ni  Ni14  1  0.000  0.500  0.500  1.0
  Mo  Mo15  1  0.942  0.915  0.778  1.0
  Mo  Mo16  1  0.942  0.413  0.286  1.0
  Mo  Mo17  1  0.058  0.587  0.714  1.0
  Mo  Mo18  1  0.058  0.085  0.222  1.0
  Mo  Mo19  1  0.703  0.631  0.579  1.0
  Mo  Mo20  1  0.699  0.134  0.081  1.0
  Mo  Mo21  1  0.301  0.866  0.919  1.0
  Mo  Mo22  1  0.297  0.369  0.421  1.0
  Mo  Mo23  1  0.432  0.852  0.571  1.0
  Mo  Mo24  1  0.441  0.358  0.072  1.0
  Mo  Mo25  1  0.559  0.642  0.928  1.0
  Mo  Mo26  1  0.568  0.148  0.429  1.0
  Mo  Mo27  1  0.076  0.391  0.924  1.0
  Mo  Mo28  1  0.075  0.884  0.425  1.0
  Mo  Mo29  1  0.925  0.116  0.575  1.0
  Mo  Mo30  1  0.924  0.609  0.076  1.0
  Mo  Mo31  1  0.000  0.000  0.000  1.0
  P  P32  1  0.702  0.015  0.889  1.0
  P  P33  1  0.708  0.517  0.393  1.0
  P  P34  1  0.292  0.483  0.607  1.0
  P  P35  1  0.298  0.985  0.111  1.0
  P  P36  1  0.299  0.216  0.884  1.0
  P  P37  1  0.299  0.716  0.386  1.0
  P  P38  1  0.701  0.284  0.614  1.0
  P  P39  1  0.701  0.784  0.116  1.0
  P  P40  1  0.097  0.881  0.615  1.0
  P  P41  1  0.097  0.382  0.118  1.0
  P  P42  1  0.903  0.618  0.882  1.0
  P  P43  1  0.903  0.119  0.385  1.0
[/CIF]
.