The crystal structure described by Cs2Ni3S4 crystallizes in the orthorhombic Fmmm space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent S(1) atoms. In the second Ni site, Ni(2) is bonded in a distorted square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded in a 3-coordinate geometry to four equivalent Cs(1), one Ni(1), and two equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Cs2Ni3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.882
_cell_length_b   5.882
_cell_length_c   7.930
_cell_angle_alpha   101.031
_cell_angle_beta   101.031
_cell_angle_gamma   118.951
_symmetry_Int_Tables_number   1
_cell_volume   222.406
_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
  Cs  Cs0  1  0.661  0.661  0.322  1.0
  Cs  Cs1  1  0.339  0.339  0.678  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  S  S5  1  0.736  0.071  0.807  1.0
  S  S6  1  0.929  0.264  0.193  1.0
  S  S7  1  0.071  0.736  0.807  1.0
  S  S8  1  0.264  0.929  0.193  1.0
[/CIF]
.
The crystal structure described by Cs2Ni3S4 crystallizes in the orthorhombic Fmmm space group. Cs(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a square co-planar geometry to four equivalent S(1) atoms. In the second Ni site, Ni(2) is bonded in a distorted square co-planar geometry to four equivalent S(1) atoms. S(1) is bonded in a 3-coordinate geometry to four equivalent Cs(1), one Ni(1), and two equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Cs2Ni3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.882
_cell_length_b   5.882
_cell_length_c   7.930
_cell_angle_alpha   101.031
_cell_angle_beta   101.031
_cell_angle_gamma   118.951
_symmetry_Int_Tables_number   1
_cell_volume   222.406
_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
  Cs  Cs0  1  0.661  0.661  0.322  1.0
  Cs  Cs1  1  0.339  0.339  0.678  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  S  S5  1  0.736  0.071  0.807  1.0
  S  S6  1  0.929  0.264  0.193  1.0
  S  S7  1  0.071  0.736  0.807  1.0
  S  S8  1  0.264  0.929  0.193  1.0
[/CIF]
.