The material structure described by K2Ni3S4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one S(5), one S(7), three equivalent S(1), and three equivalent S(4) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one S(6), one S(8), three equivalent S(2), and three equivalent S(3) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one S(1), one S(4), three equivalent S(5), and three equivalent S(7) atoms. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one S(2), one S(3), three equivalent S(6), and three equivalent S(8) atoms. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the third Ni site, Ni(3) is bonded in a square co-planar geometry to one S(5), one S(6), one S(7), and one S(8) atom. In the fourth Ni site, Ni(4) is bonded in a distorted square co-planar geometry to one S(5), one S(6), one S(7), and one S(8) atom. In the fifth Ni site, Ni(5) is bonded in a square co-planar geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the sixth Ni site, Ni(6) is bonded in a square co-planar geometry to one S(5), one S(6), one S(7), and one S(8) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one K(3), three equivalent K(1), one Ni(1), one Ni(2), and one Ni(5) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one K(4), three equivalent K(2), one Ni(1), one Ni(2), and one Ni(5) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one K(4), three equivalent K(2), one Ni(1), one Ni(2), and one Ni(5) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one K(3), three equivalent K(1), one Ni(1), one Ni(2), and one Ni(5) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one K(1), three equivalent K(3), one Ni(3), one Ni(4), and one Ni(6) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one K(2), three equivalent K(4), one Ni(3), one Ni(4), and one Ni(6) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one K(1), three equivalent K(3), one Ni(3), one Ni(4), and one Ni(6) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one K(2), three equivalent K(4), one Ni(3), one Ni(4), and one Ni(6) atom. is represented by the CIF card [CIF]
data_K2Ni3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.073
_cell_length_b   13.447
_cell_length_c   5.814
_cell_angle_alpha   83.915
_cell_angle_beta   71.829
_cell_angle_gamma   24.256
_symmetry_Int_Tables_number   1
_cell_volume   382.027
_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
  K  K0  1  0.913  0.931  0.079  1.0
  K  K1  1  0.068  0.087  0.929  1.0
  K  K2  1  0.331  0.323  0.166  1.0
  K  K3  1  0.178  0.167  0.318  1.0
  Ni  Ni4  1  0.498  0.500  0.004  1.0
  Ni  Ni5  1  0.007  0.994  0.494  1.0
  Ni  Ni6  1  0.752  0.746  0.258  1.0
  Ni  Ni7  1  0.247  0.251  0.756  1.0
  Ni  Ni8  1  0.500  0.504  0.498  1.0
  Ni  Ni9  1  0.741  0.760  0.753  1.0
  S  S10  1  0.601  0.287  0.722  1.0
  S  S11  1  0.376  0.731  0.288  1.0
  S  S12  1  0.720  0.392  0.603  1.0
  S  S13  1  0.274  0.617  0.390  1.0
  S  S14  1  0.651  0.961  0.522  1.0
  S  S15  1  0.870  0.523  0.961  1.0
  S  S16  1  0.957  0.653  0.871  1.0
  S  S17  1  0.529  0.864  0.646  1.0
[/CIF]
.
The material structure described by K2Ni3S4 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one S(5), one S(7), three equivalent S(1), and three equivalent S(4) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one S(6), one S(8), three equivalent S(2), and three equivalent S(3) atoms. In the third K site, K(3) is bonded in a 8-coordinate geometry to one S(1), one S(4), three equivalent S(5), and three equivalent S(7) atoms. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one S(2), one S(3), three equivalent S(6), and three equivalent S(8) atoms. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted square co-planar geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the third Ni site, Ni(3) is bonded in a square co-planar geometry to one S(5), one S(6), one S(7), and one S(8) atom. In the fourth Ni site, Ni(4) is bonded in a distorted square co-planar geometry to one S(5), one S(6), one S(7), and one S(8) atom. In the fifth Ni site, Ni(5) is bonded in a square co-planar geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the sixth Ni site, Ni(6) is bonded in a square co-planar geometry to one S(5), one S(6), one S(7), and one S(8) atom. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one K(3), three equivalent K(1), one Ni(1), one Ni(2), and one Ni(5) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one K(4), three equivalent K(2), one Ni(1), one Ni(2), and one Ni(5) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one K(4), three equivalent K(2), one Ni(1), one Ni(2), and one Ni(5) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one K(3), three equivalent K(1), one Ni(1), one Ni(2), and one Ni(5) atom. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one K(1), three equivalent K(3), one Ni(3), one Ni(4), and one Ni(6) atom. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one K(2), three equivalent K(4), one Ni(3), one Ni(4), and one Ni(6) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one K(1), three equivalent K(3), one Ni(3), one Ni(4), and one Ni(6) atom. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one K(2), three equivalent K(4), one Ni(3), one Ni(4), and one Ni(6) atom. is represented by the CIF card [CIF]
data_K2Ni3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.073
_cell_length_b   13.447
_cell_length_c   5.814
_cell_angle_alpha   83.915
_cell_angle_beta   71.829
_cell_angle_gamma   24.256
_symmetry_Int_Tables_number   1
_cell_volume   382.027
_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
  K  K0  1  0.913  0.931  0.079  1.0
  K  K1  1  0.068  0.087  0.929  1.0
  K  K2  1  0.331  0.323  0.166  1.0
  K  K3  1  0.178  0.167  0.318  1.0
  Ni  Ni4  1  0.498  0.500  0.004  1.0
  Ni  Ni5  1  0.007  0.994  0.494  1.0
  Ni  Ni6  1  0.752  0.746  0.258  1.0
  Ni  Ni7  1  0.247  0.251  0.756  1.0
  Ni  Ni8  1  0.500  0.504  0.498  1.0
  Ni  Ni9  1  0.741  0.760  0.753  1.0
  S  S10  1  0.601  0.287  0.722  1.0
  S  S11  1  0.376  0.731  0.288  1.0
  S  S12  1  0.720  0.392  0.603  1.0
  S  S13  1  0.274  0.617  0.390  1.0
  S  S14  1  0.651  0.961  0.522  1.0
  S  S15  1  0.870  0.523  0.961  1.0
  S  S16  1  0.957  0.653  0.871  1.0
  S  S17  1  0.529  0.864  0.646  1.0
[/CIF]
.