The crystal structure described by Ni3Te4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to two equivalent Ni(2), two equivalent Te(1), and four equivalent Te(2) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Ni(1), three equivalent Te(1), and three equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ni(1) and three equivalent Ni(2) atoms to form a mixture of distorted corner and edge-sharing TeNi4 trigonal pyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Ni(1) and three equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.620
_cell_length_b   6.620
_cell_length_c   6.714
_cell_angle_alpha   59.672
_cell_angle_beta   59.672
_cell_angle_gamma   34.744
_symmetry_Int_Tables_number   1
_cell_volume   142.272
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.252  0.252  0.761  1.0
  Ni  Ni2  1  0.748  0.748  0.239  1.0
  Te  Te3  1  0.124  0.124  0.217  1.0
  Te  Te4  1  0.630  0.630  0.706  1.0
  Te  Te5  1  0.370  0.370  0.294  1.0
  Te  Te6  1  0.876  0.876  0.783  1.0
[/CIF]
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The crystal structure described by Ni3Te4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 8-coordinate geometry to two equivalent Ni(2), two equivalent Te(1), and four equivalent Te(2) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Ni(1), three equivalent Te(1), and three equivalent Te(2) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ni(1) and three equivalent Ni(2) atoms to form a mixture of distorted corner and edge-sharing TeNi4 trigonal pyramids. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to two equivalent Ni(1) and three equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.620
_cell_length_b   6.620
_cell_length_c   6.714
_cell_angle_alpha   59.672
_cell_angle_beta   59.672
_cell_angle_gamma   34.744
_symmetry_Int_Tables_number   1
_cell_volume   142.272
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.252  0.252  0.761  1.0
  Ni  Ni2  1  0.748  0.748  0.239  1.0
  Te  Te3  1  0.124  0.124  0.217  1.0
  Te  Te4  1  0.630  0.630  0.706  1.0
  Te  Te5  1  0.370  0.370  0.294  1.0
  Te  Te6  1  0.876  0.876  0.783  1.0
[/CIF]
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