The crystal structure described by TaMoNi6 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmm2 space group. Ta(1) is bonded to two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), and four equivalent Ni(4) atoms to form TaNi12 cuboctahedra that share corners with two equivalent Ta(1)Ni12 cuboctahedra, corners with eight equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, corners with eight equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ta(1)Ni12 cuboctahedra, edges with four equivalent Mo(1)Ni12 cuboctahedra, edges with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with eight equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Mo(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, and faces with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra. Mo(1) is bonded to two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), and four equivalent Ni(4) atoms to form MoNi12 cuboctahedra that share corners with two equivalent Mo(1)Ni12 cuboctahedra, corners with eight equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, corners with eight equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Mo(1)Ni12 cuboctahedra, edges with four equivalent Ta(1)Ni12 cuboctahedra, edges with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with eight equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Mo(1)Ni12 cuboctahedra, faces with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ta(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, and faces with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ta(1), two equivalent Mo(1), four equivalent Ni(3), and four equivalent Ni(4) atoms to form distorted NiTa2Ni8Mo2 cuboctahedra that share corners with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, corners with eight equivalent Ta(1)Ni12 cuboctahedra, corners with eight equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with eight equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Mo(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, and faces with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Ta(1), two equivalent Mo(1), four equivalent Ni(3), and four equivalent Ni(4) atoms to form distorted NiTa2Ni8Mo2 cuboctahedra that share corners with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, corners with eight equivalent Mo(1)Ni12 cuboctahedra, corners with eight equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with eight equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Mo(1)Ni12 cuboctahedra, faces with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ta(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, and faces with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Ta(1), two equivalent Mo(1), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form distorted NiTa2Ni8Mo2 cuboctahedra that share corners with four equivalent Mo(1)Ni12 cuboctahedra, corners with four equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, corners with ten equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Mo(1)Ni12 cuboctahedra, edges with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ta(1)Ni12 cuboctahedra, edges with four equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with two equivalent Mo(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, and faces with eight equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent Ta(1), two equivalent Mo(1), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form distorted NiTa2Ni8Mo2 cuboctahedra that share corners with four equivalent Ta(1)Ni12 cuboctahedra, corners with four equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, corners with ten equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ta(1)Ni12 cuboctahedra, edges with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Mo(1)Ni12 cuboctahedra, edges with four equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with two equivalent Mo(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, and faces with eight equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra. is represented by the CIF card [CIF]
data_TaNi6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.208
_cell_length_b   4.462
_cell_length_c   5.018
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.221
_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
  Ta  Ta0  1  0.000  0.346  0.000  1.0
  Ni  Ni1  1  0.000  0.332  0.500  1.0
  Ni  Ni2  1  0.500  0.679  0.000  1.0
  Ni  Ni3  1  0.500  0.156  0.746  1.0
  Ni  Ni4  1  0.500  0.156  0.254  1.0
  Ni  Ni5  1  0.000  0.840  0.744  1.0
  Ni  Ni6  1  0.000  0.840  0.256  1.0
  Mo  Mo7  1  0.500  0.650  0.500  1.0
[/CIF]
.
The crystal structure described by TaMoNi6 is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmm2 space group. Ta(1) is bonded to two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), and four equivalent Ni(4) atoms to form TaNi12 cuboctahedra that share corners with two equivalent Ta(1)Ni12 cuboctahedra, corners with eight equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, corners with eight equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ta(1)Ni12 cuboctahedra, edges with four equivalent Mo(1)Ni12 cuboctahedra, edges with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with eight equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Mo(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, and faces with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra. Mo(1) is bonded to two equivalent Ni(1), two equivalent Ni(2), four equivalent Ni(3), and four equivalent Ni(4) atoms to form MoNi12 cuboctahedra that share corners with two equivalent Mo(1)Ni12 cuboctahedra, corners with eight equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, corners with eight equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Mo(1)Ni12 cuboctahedra, edges with four equivalent Ta(1)Ni12 cuboctahedra, edges with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with eight equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Mo(1)Ni12 cuboctahedra, faces with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ta(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, and faces with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent Ta(1), two equivalent Mo(1), four equivalent Ni(3), and four equivalent Ni(4) atoms to form distorted NiTa2Ni8Mo2 cuboctahedra that share corners with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, corners with eight equivalent Ta(1)Ni12 cuboctahedra, corners with eight equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with eight equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Mo(1)Ni12 cuboctahedra, faces with four equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, and faces with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra. In the second Ni site, Ni(2) is bonded to two equivalent Ta(1), two equivalent Mo(1), four equivalent Ni(3), and four equivalent Ni(4) atoms to form distorted NiTa2Ni8Mo2 cuboctahedra that share corners with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, corners with eight equivalent Mo(1)Ni12 cuboctahedra, corners with eight equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with eight equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Mo(1)Ni12 cuboctahedra, faces with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ta(1)Ni12 cuboctahedra, faces with four equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, and faces with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra. In the third Ni site, Ni(3) is bonded to two equivalent Ta(1), two equivalent Mo(1), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form distorted NiTa2Ni8Mo2 cuboctahedra that share corners with four equivalent Mo(1)Ni12 cuboctahedra, corners with four equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, corners with ten equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Mo(1)Ni12 cuboctahedra, edges with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ta(1)Ni12 cuboctahedra, edges with four equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with two equivalent Mo(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, and faces with eight equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent Ta(1), two equivalent Mo(1), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form distorted NiTa2Ni8Mo2 cuboctahedra that share corners with four equivalent Ta(1)Ni12 cuboctahedra, corners with four equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, corners with ten equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ta(1)Ni12 cuboctahedra, edges with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, edges with two equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Mo(1)Ni12 cuboctahedra, edges with four equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, edges with four equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ta(1)Ni12 cuboctahedra, faces with two equivalent Mo(1)Ni12 cuboctahedra, faces with two equivalent Ni(1)Ta2Ni8Mo2 cuboctahedra, faces with two equivalent Ni(2)Ta2Ni8Mo2 cuboctahedra, faces with four equivalent Ni(4)Ta2Ni8Mo2 cuboctahedra, and faces with eight equivalent Ni(3)Ta2Ni8Mo2 cuboctahedra. is represented by the CIF card [CIF]
data_TaNi6Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.208
_cell_length_b   4.462
_cell_length_c   5.018
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.221
_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
  Ta  Ta0  1  0.000  0.346  0.000  1.0
  Ni  Ni1  1  0.000  0.332  0.500  1.0
  Ni  Ni2  1  0.500  0.679  0.000  1.0
  Ni  Ni3  1  0.500  0.156  0.746  1.0
  Ni  Ni4  1  0.500  0.156  0.254  1.0
  Ni  Ni5  1  0.000  0.840  0.744  1.0
  Ni  Ni6  1  0.000  0.840  0.256  1.0
  Mo  Mo7  1  0.500  0.650  0.500  1.0
[/CIF]
.