The compound described by Ni3Bi2S2 crystallizes in the cubic I2_13 space group. Ni(1) is bonded in a distorted linear geometry to four equivalent Bi(1) and two equivalent S(1) atoms. Bi(1) is bonded in a 7-coordinate geometry to six equivalent Ni(1) and one S(1) atom. S(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_Ni3(BiS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.919
_cell_length_b   6.919
_cell_length_c   6.919
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   254.948
_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
  Ni  Ni0  1  0.519  0.269  0.250  1.0
  Ni  Ni1  1  0.981  0.231  0.750  1.0
  Ni  Ni2  1  0.750  0.981  0.231  1.0
  Ni  Ni3  1  0.231  0.750  0.981  1.0
  Ni  Ni4  1  0.250  0.519  0.269  1.0
  Ni  Ni5  1  0.269  0.250  0.519  1.0
  Bi  Bi6  1  0.008  0.008  0.008  1.0
  Bi  Bi7  1  0.492  0.500  0.000  1.0
  Bi  Bi8  1  0.000  0.492  0.500  1.0
  Bi  Bi9  1  0.500  0.000  0.492  1.0
  S  S10  1  0.000  0.961  0.500  1.0
  S  S11  1  0.961  0.500  0.000  1.0
  S  S12  1  0.500  0.000  0.961  1.0
  S  S13  1  0.539  0.539  0.539  1.0
[/CIF]
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The compound described by Ni3Bi2S2 crystallizes in the cubic I2_13 space group. Ni(1) is bonded in a distorted linear geometry to four equivalent Bi(1) and two equivalent S(1) atoms. Bi(1) is bonded in a 7-coordinate geometry to six equivalent Ni(1) and one S(1) atom. S(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) and one Bi(1) atom. is represented by the CIF file [CIF]
data_Ni3(BiS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.919
_cell_length_b   6.919
_cell_length_c   6.919
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   254.948
_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
  Ni  Ni0  1  0.519  0.269  0.250  1.0
  Ni  Ni1  1  0.981  0.231  0.750  1.0
  Ni  Ni2  1  0.750  0.981  0.231  1.0
  Ni  Ni3  1  0.231  0.750  0.981  1.0
  Ni  Ni4  1  0.250  0.519  0.269  1.0
  Ni  Ni5  1  0.269  0.250  0.519  1.0
  Bi  Bi6  1  0.008  0.008  0.008  1.0
  Bi  Bi7  1  0.492  0.500  0.000  1.0
  Bi  Bi8  1  0.000  0.492  0.500  1.0
  Bi  Bi9  1  0.500  0.000  0.492  1.0
  S  S10  1  0.000  0.961  0.500  1.0
  S  S11  1  0.961  0.500  0.000  1.0
  S  S12  1  0.500  0.000  0.961  1.0
  S  S13  1  0.539  0.539  0.539  1.0
[/CIF]
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