The material structure described by Ni4Mo crystallizes in the tetragonal I4/m space group. Mo(1) is bonded to twelve Ni(1,1) atoms to form MoNi12 cuboctahedra that share corners with twelve Ni(1,1)Ni9Mo3 cuboctahedra; edges with eight equivalent Mo(1)Ni12 cuboctahedra; edges with sixteen Ni(1,1)Ni9Mo3 cuboctahedra; faces with two equivalent Mo(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)Ni9Mo3 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Mo(1) and nine Ni(1,1) atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent Mo(1)Ni12 cuboctahedra; corners with nine Ni(1,1)Ni9Mo3 cuboctahedra; edges with four equivalent Mo(1)Ni12 cuboctahedra; edges with twenty Ni(1,1)Ni9Mo3 cuboctahedra; faces with four equivalent Mo(1)Ni12 cuboctahedra; and faces with fourteen Ni(1,1)Ni9Mo3 cuboctahedra. In the second Ni site, Ni(1) is bonded to three equivalent Mo(1) and nine equivalent Ni(1) atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent Mo(1)Ni12 cuboctahedra; corners with nine equivalent Ni(1)Ni9Mo3 cuboctahedra; edges with four equivalent Mo(1)Ni12 cuboctahedra; edges with twenty equivalent Ni(1)Ni9Mo3 cuboctahedra; faces with four equivalent Mo(1)Ni12 cuboctahedra; and faces with fourteen Ni(1,1)Ni9Mo3 cuboctahedra. is represented by the CIF card [CIF]
data_Ni4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.522
_cell_length_b   4.381
_cell_length_c   4.381
_cell_angle_alpha   80.698
_cell_angle_beta   66.295
_cell_angle_gamma   66.296
_symmetry_Int_Tables_number   1
_cell_volume   56.668
_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  0.801  0.798  0.599  1.0
  Ni  Ni1  1  0.199  0.202  0.401  1.0
  Ni  Ni2  1  0.599  0.599  0.202  1.0
  Ni  Ni3  1  0.401  0.401  0.798  1.0
  Mo  Mo4  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Ni4Mo crystallizes in the tetragonal I4/m space group. Mo(1) is bonded to twelve Ni(1,1) atoms to form MoNi12 cuboctahedra that share corners with twelve Ni(1,1)Ni9Mo3 cuboctahedra; edges with eight equivalent Mo(1)Ni12 cuboctahedra; edges with sixteen Ni(1,1)Ni9Mo3 cuboctahedra; faces with two equivalent Mo(1)Ni12 cuboctahedra; and faces with sixteen Ni(1,1)Ni9Mo3 cuboctahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent Mo(1) and nine Ni(1,1) atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent Mo(1)Ni12 cuboctahedra; corners with nine Ni(1,1)Ni9Mo3 cuboctahedra; edges with four equivalent Mo(1)Ni12 cuboctahedra; edges with twenty Ni(1,1)Ni9Mo3 cuboctahedra; faces with four equivalent Mo(1)Ni12 cuboctahedra; and faces with fourteen Ni(1,1)Ni9Mo3 cuboctahedra. In the second Ni site, Ni(1) is bonded to three equivalent Mo(1) and nine equivalent Ni(1) atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent Mo(1)Ni12 cuboctahedra; corners with nine equivalent Ni(1)Ni9Mo3 cuboctahedra; edges with four equivalent Mo(1)Ni12 cuboctahedra; edges with twenty equivalent Ni(1)Ni9Mo3 cuboctahedra; faces with four equivalent Mo(1)Ni12 cuboctahedra; and faces with fourteen Ni(1,1)Ni9Mo3 cuboctahedra. is represented by the CIF card [CIF]
data_Ni4Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.522
_cell_length_b   4.381
_cell_length_c   4.381
_cell_angle_alpha   80.698
_cell_angle_beta   66.295
_cell_angle_gamma   66.296
_symmetry_Int_Tables_number   1
_cell_volume   56.668
_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  0.801  0.798  0.599  1.0
  Ni  Ni1  1  0.199  0.202  0.401  1.0
  Ni  Ni2  1  0.599  0.599  0.202  1.0
  Ni  Ni3  1  0.401  0.401  0.798  1.0
  Mo  Mo4  1  0.000  0.000  0.000  1.0
[/CIF]
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