The material structure described by Nb2SiTe4 crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one Te(1), one Te(3), two equivalent Te(2), and two equivalent Te(4) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one Te(2), one Te(4), two equivalent Te(1), and two equivalent Te(3) atoms. Si(1) is bonded in a 3-coordinate geometry to one Te(1), one Te(3), and two equivalent Te(4) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent Nb(2), and one Si(1) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(1) atoms. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent Nb(2), and one Si(1) atom. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to one Nb(2), two equivalent Nb(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Nb2SiTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.713
_cell_length_b   6.740
_cell_length_c   8.044
_cell_angle_alpha   110.208
_cell_angle_beta   99.889
_cell_angle_gamma   89.900
_symmetry_Int_Tables_number   1
_cell_volume   185.775
_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
  Nb  Nb0  1  0.597  0.172  0.355  1.0
  Nb  Nb1  1  0.094  0.515  0.330  1.0
  Si  Si2  1  0.438  0.880  0.906  1.0
  Te  Te3  1  0.494  0.314  0.056  1.0
  Te  Te4  1  0.196  0.384  0.622  1.0
  Te  Te5  1  0.667  0.846  0.533  1.0
  Te  Te6  1  0.016  0.838  0.145  1.0
[/CIF]
.
The material structure described by Nb2SiTe4 crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one Te(1), one Te(3), two equivalent Te(2), and two equivalent Te(4) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one Te(2), one Te(4), two equivalent Te(1), and two equivalent Te(3) atoms. Si(1) is bonded in a 3-coordinate geometry to one Te(1), one Te(3), and two equivalent Te(4) atoms. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent Nb(2), and one Si(1) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one Nb(2) and two equivalent Nb(1) atoms. In the third Te site, Te(3) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent Nb(2), and one Si(1) atom. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to one Nb(2), two equivalent Nb(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_Nb2SiTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.713
_cell_length_b   6.740
_cell_length_c   8.044
_cell_angle_alpha   110.208
_cell_angle_beta   99.889
_cell_angle_gamma   89.900
_symmetry_Int_Tables_number   1
_cell_volume   185.775
_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
  Nb  Nb0  1  0.597  0.172  0.355  1.0
  Nb  Nb1  1  0.094  0.515  0.330  1.0
  Si  Si2  1  0.438  0.880  0.906  1.0
  Te  Te3  1  0.494  0.314  0.056  1.0
  Te  Te4  1  0.196  0.384  0.622  1.0
  Te  Te5  1  0.667  0.846  0.533  1.0
  Te  Te6  1  0.016  0.838  0.145  1.0
[/CIF]
.