The structure described by MgNi4(SbS)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 11-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one Ni(4), one Sb(1), one Sb(2), one Sb(3), one Sb(4), one S(1), one S(2), and one S(4) atom. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one Mg(1), one Sb(2), one Sb(3), one Sb(4), one S(3), and one S(4) atom. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one Mg(1), one Sb(1), one Sb(3), one Sb(4), one S(1), and one S(3) atom. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(1), one Sb(2), one Sb(4), one S(1), one S(2), and one S(4) atom. In the fourth Ni site, Ni(4) is bonded in a 6-coordinate geometry to one Mg(1), one Sb(1), one Sb(2), one Sb(3), one S(2), and one S(3) atom. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(2), one Ni(3), one Ni(4), and one S(1) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(3), one Ni(4), and one S(2) atom. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Ni(4), and one S(3) atom. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Ni(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(2), one Ni(3), and one Sb(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(3), one Ni(4), and one Sb(2) atom. In the third S site, S(3) is bonded in a distorted tetrahedral geometry to one Ni(1), one Ni(2), one Ni(4), and one Sb(3) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Ni(3), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNi4(SbS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.250
_cell_length_b   6.258
_cell_length_c   6.275
_cell_angle_alpha   82.570
_cell_angle_beta   97.591
_cell_angle_gamma   97.272
_symmetry_Int_Tables_number   1
_cell_volume   239.738
_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
  Mg  Mg0  1  0.700  0.296  0.799  1.0
  Ni  Ni1  1  0.511  0.969  0.473  1.0
  Ni  Ni2  1  0.028  0.491  0.468  1.0
  Ni  Ni3  1  0.481  0.519  0.019  1.0
  Ni  Ni4  1  0.029  0.975  0.991  1.0
  Sb  Sb5  1  0.103  0.625  0.860  1.0
  Sb  Sb6  1  0.639  0.895  0.124  1.0
  Sb  Sb7  1  0.927  0.076  0.573  1.0
  Sb  Sb8  1  0.379  0.361  0.395  1.0
  S  S9  1  0.835  0.438  0.148  1.0
  S  S10  1  0.349  0.168  0.940  1.0
  S  S11  1  0.151  0.849  0.349  1.0
  S  S12  1  0.561  0.650  0.669  1.0
[/CIF]
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The structure described by MgNi4(SbS)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 11-coordinate geometry to one Ni(1), one Ni(2), one Ni(3), one Ni(4), one Sb(1), one Sb(2), one Sb(3), one Sb(4), one S(1), one S(2), and one S(4) atom. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one Mg(1), one Sb(2), one Sb(3), one Sb(4), one S(3), and one S(4) atom. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one Mg(1), one Sb(1), one Sb(3), one Sb(4), one S(1), and one S(3) atom. In the third Ni site, Ni(3) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(1), one Sb(2), one Sb(4), one S(1), one S(2), and one S(4) atom. In the fourth Ni site, Ni(4) is bonded in a 6-coordinate geometry to one Mg(1), one Sb(1), one Sb(2), one Sb(3), one S(2), and one S(3) atom. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(2), one Ni(3), one Ni(4), and one S(1) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(3), one Ni(4), and one S(2) atom. In the third Sb site, Sb(3) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Ni(4), and one S(3) atom. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Ni(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(2), one Ni(3), and one Sb(1) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(3), one Ni(4), and one Sb(2) atom. In the third S site, S(3) is bonded in a distorted tetrahedral geometry to one Ni(1), one Ni(2), one Ni(4), and one Sb(3) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Ni(3), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNi4(SbS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.250
_cell_length_b   6.258
_cell_length_c   6.275
_cell_angle_alpha   82.570
_cell_angle_beta   97.591
_cell_angle_gamma   97.272
_symmetry_Int_Tables_number   1
_cell_volume   239.738
_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
  Mg  Mg0  1  0.700  0.296  0.799  1.0
  Ni  Ni1  1  0.511  0.969  0.473  1.0
  Ni  Ni2  1  0.028  0.491  0.468  1.0
  Ni  Ni3  1  0.481  0.519  0.019  1.0
  Ni  Ni4  1  0.029  0.975  0.991  1.0
  Sb  Sb5  1  0.103  0.625  0.860  1.0
  Sb  Sb6  1  0.639  0.895  0.124  1.0
  Sb  Sb7  1  0.927  0.076  0.573  1.0
  Sb  Sb8  1  0.379  0.361  0.395  1.0
  S  S9  1  0.835  0.438  0.148  1.0
  S  S10  1  0.349  0.168  0.940  1.0
  S  S11  1  0.151  0.849  0.349  1.0
  S  S12  1  0.561  0.650  0.669  1.0
[/CIF]
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