The material described by Nb2Ni5Te6 crystallizes in the triclinic P-1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), two equivalent Ni(4), one Te(2), one Te(3), one Te(4), one Te(5), and one Te(6) atom. In the second Nb site, Nb(2) is bonded in a 11-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), one Ni(5), two equivalent Ni(3), one Te(1), one Te(3), one Te(4), one Te(5), and one Te(6) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Nb(1), one Nb(2), one Ni(1), one Ni(2), two equivalent Ni(5), one Te(2), one Te(3), and two equivalent Te(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Nb(1), one Nb(2), one Ni(1), one Ni(2), one Ni(5), one Te(1), one Te(4), and two equivalent Te(2) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Nb(1), two equivalent Nb(2), one Ni(3), one Ni(4), one Te(3), one Te(6), and two equivalent Te(5) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to one Nb(2), two equivalent Nb(1), one Ni(3), one Ni(4), one Te(4), one Te(5), and two equivalent Te(6) atoms. In the fifth Ni site, Ni(5) is bonded in a 9-coordinate geometry to one Nb(2), one Ni(2), two equivalent Ni(1), one Te(1), one Te(2), one Te(3), and two equivalent Te(4) atoms. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Nb(2), one Ni(2), one Ni(5), and two equivalent Ni(1) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Nb(1), one Ni(1), one Ni(5), and two equivalent Ni(2) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one Nb(1), one Nb(2), one Ni(1), one Ni(3), and one Ni(5) atom. In the fourth Te site, Te(4) is bonded in a distorted hexagonal planar geometry to one Nb(1), one Nb(2), one Ni(2), one Ni(4), and two equivalent Ni(5) atoms. In the fifth Te site, Te(5) is bonded in a 5-coordinate geometry to one Nb(1), one Nb(2), one Ni(4), and two equivalent Ni(3) atoms. In the sixth Te site, Te(6) is bonded in a 5-coordinate geometry to one Nb(1), one Nb(2), one Ni(3), and two equivalent Ni(4) atoms. is represented by the CIF card [CIF]
data_Nb2Ni5Te6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.575
_cell_length_b   10.752
_cell_length_c   8.428
_cell_angle_alpha   113.278
_cell_angle_beta   116.600
_cell_angle_gamma   69.503
_symmetry_Int_Tables_number   1
_cell_volume   551.126
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.874  0.798  0.297  1.0
  Nb  Nb1  1  0.374  0.790  0.289  1.0
  Nb  Nb2  1  0.626  0.202  0.703  1.0
  Nb  Nb3  1  0.126  0.210  0.711  1.0
  Ni  Ni4  1  0.367  0.413  0.902  1.0
  Ni  Ni5  1  0.871  0.411  0.898  1.0
  Ni  Ni6  1  0.133  0.587  0.098  1.0
  Ni  Ni7  1  0.629  0.589  0.102  1.0
  Ni  Ni8  1  0.317  0.069  0.456  1.0
  Ni  Ni9  1  0.820  0.071  0.456  1.0
  Ni  Ni10  1  0.183  0.931  0.544  1.0
  Ni  Ni11  1  0.680  0.929  0.544  1.0
  Ni  Ni12  1  0.516  0.498  0.278  1.0
  Ni  Ni13  1  0.984  0.502  0.722  1.0
  Te  Te14  1  0.255  0.670  0.916  1.0
  Te  Te15  1  0.749  0.668  0.926  1.0
  Te  Te16  1  0.245  0.330  0.084  1.0
  Te  Te17  1  0.751  0.332  0.074  1.0
  Te  Te18  1  0.230  0.338  0.539  1.0
  Te  Te19  1  0.719  0.339  0.533  1.0
  Te  Te20  1  0.270  0.662  0.461  1.0
  Te  Te21  1  0.781  0.661  0.467  1.0
  Te  Te22  1  0.510  0.007  0.780  1.0
  Te  Te23  1  0.011  0.004  0.776  1.0
  Te  Te24  1  0.990  0.993  0.220  1.0
  Te  Te25  1  0.489  0.996  0.224  1.0
[/CIF]
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The material described by Nb2Ni5Te6 crystallizes in the triclinic P-1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 10-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), two equivalent Ni(4), one Te(2), one Te(3), one Te(4), one Te(5), and one Te(6) atom. In the second Nb site, Nb(2) is bonded in a 11-coordinate geometry to one Ni(1), one Ni(2), one Ni(4), one Ni(5), two equivalent Ni(3), one Te(1), one Te(3), one Te(4), one Te(5), and one Te(6) atom. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 10-coordinate geometry to one Nb(1), one Nb(2), one Ni(1), one Ni(2), two equivalent Ni(5), one Te(2), one Te(3), and two equivalent Te(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Nb(1), one Nb(2), one Ni(1), one Ni(2), one Ni(5), one Te(1), one Te(4), and two equivalent Te(2) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Nb(1), two equivalent Nb(2), one Ni(3), one Ni(4), one Te(3), one Te(6), and two equivalent Te(5) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to one Nb(2), two equivalent Nb(1), one Ni(3), one Ni(4), one Te(4), one Te(5), and two equivalent Te(6) atoms. In the fifth Ni site, Ni(5) is bonded in a 9-coordinate geometry to one Nb(2), one Ni(2), two equivalent Ni(1), one Te(1), one Te(2), one Te(3), and two equivalent Te(4) atoms. There are six inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one Nb(2), one Ni(2), one Ni(5), and two equivalent Ni(1) atoms. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to one Nb(1), one Ni(1), one Ni(5), and two equivalent Ni(2) atoms. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one Nb(1), one Nb(2), one Ni(1), one Ni(3), and one Ni(5) atom. In the fourth Te site, Te(4) is bonded in a distorted hexagonal planar geometry to one Nb(1), one Nb(2), one Ni(2), one Ni(4), and two equivalent Ni(5) atoms. In the fifth Te site, Te(5) is bonded in a 5-coordinate geometry to one Nb(1), one Nb(2), one Ni(4), and two equivalent Ni(3) atoms. In the sixth Te site, Te(6) is bonded in a 5-coordinate geometry to one Nb(1), one Nb(2), one Ni(3), and two equivalent Ni(4) atoms. is represented by the CIF card [CIF]
data_Nb2Ni5Te6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.575
_cell_length_b   10.752
_cell_length_c   8.428
_cell_angle_alpha   113.278
_cell_angle_beta   116.600
_cell_angle_gamma   69.503
_symmetry_Int_Tables_number   1
_cell_volume   551.126
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.874  0.798  0.297  1.0
  Nb  Nb1  1  0.374  0.790  0.289  1.0
  Nb  Nb2  1  0.626  0.202  0.703  1.0
  Nb  Nb3  1  0.126  0.210  0.711  1.0
  Ni  Ni4  1  0.367  0.413  0.902  1.0
  Ni  Ni5  1  0.871  0.411  0.898  1.0
  Ni  Ni6  1  0.133  0.587  0.098  1.0
  Ni  Ni7  1  0.629  0.589  0.102  1.0
  Ni  Ni8  1  0.317  0.069  0.456  1.0
  Ni  Ni9  1  0.820  0.071  0.456  1.0
  Ni  Ni10  1  0.183  0.931  0.544  1.0
  Ni  Ni11  1  0.680  0.929  0.544  1.0
  Ni  Ni12  1  0.516  0.498  0.278  1.0
  Ni  Ni13  1  0.984  0.502  0.722  1.0
  Te  Te14  1  0.255  0.670  0.916  1.0
  Te  Te15  1  0.749  0.668  0.926  1.0
  Te  Te16  1  0.245  0.330  0.084  1.0
  Te  Te17  1  0.751  0.332  0.074  1.0
  Te  Te18  1  0.230  0.338  0.539  1.0
  Te  Te19  1  0.719  0.339  0.533  1.0
  Te  Te20  1  0.270  0.662  0.461  1.0
  Te  Te21  1  0.781  0.661  0.467  1.0
  Te  Te22  1  0.510  0.007  0.780  1.0
  Te  Te23  1  0.011  0.004  0.776  1.0
  Te  Te24  1  0.990  0.993  0.220  1.0
  Te  Te25  1  0.489  0.996  0.224  1.0
[/CIF]
.