The compound described by MgZn2(Ni2S5)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one S(3), one S(9), two equivalent S(10), and two equivalent S(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one S(10), one S(2), one S(4), and two equivalent S(3) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(4)S5 trigonal bipyramid, corners with two equivalent Ni(1)S5 trigonal bipyramids, corners with two equivalent Zn(1)S5 trigonal bipyramids, and edges with two equivalent Ni(2)S5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one S(1), one S(3), one S(9), and two equivalent S(4) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(3)S5 trigonal bipyramid, corners with two equivalent Ni(2)S5 trigonal bipyramids, corners with two equivalent Zn(2)S5 trigonal bipyramids, and edges with two equivalent Ni(1)S5 trigonal bipyramids. In the third Ni site, Ni(3) is bonded to one S(1), one S(5), one S(8), and two equivalent S(6) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(2)S5 trigonal bipyramid,  a cornercorner with one Zn(1)S5 trigonal bipyramid, corners with two equivalent Ni(3)S5 trigonal bipyramids, corners with two equivalent Zn(2)S5 trigonal bipyramids, edges with two equivalent Ni(4)S5 trigonal bipyramids, and edges with two equivalent Zn(2)S5 trigonal bipyramids. In the fourth Ni site, Ni(4) is bonded to one S(2), one S(6), one S(7), and two equivalent S(5) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(1)S5 trigonal bipyramid,  a cornercorner with one Zn(2)S5 trigonal bipyramid, corners with two equivalent Ni(4)S5 trigonal bipyramids, corners with two equivalent Zn(1)S5 trigonal bipyramids, edges with two equivalent Ni(3)S5 trigonal bipyramids, and edges with two equivalent Zn(1)S5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(5), two equivalent S(2), and two equivalent S(7) atoms to form distorted ZnS5 trigonal bipyramids that share  a cornercorner with one Ni(3)S5 trigonal bipyramid, corners with two equivalent Ni(1)S5 trigonal bipyramids, corners with two equivalent Ni(4)S5 trigonal bipyramids, edges with two equivalent Ni(4)S5 trigonal bipyramids, and edges with two equivalent Zn(1)S5 trigonal bipyramids. In the second Zn site, Zn(2) is bonded to one S(6), two equivalent S(1), and two equivalent S(8) atoms to form distorted ZnS5 trigonal bipyramids that share  a cornercorner with one Ni(4)S5 trigonal bipyramid, corners with two equivalent Ni(2)S5 trigonal bipyramids, corners with two equivalent Ni(3)S5 trigonal bipyramids, edges with two equivalent Ni(3)S5 trigonal bipyramids, and edges with two equivalent Zn(2)S5 trigonal bipyramids. There are ten inequivalent S sites. In the first S site, S(1) is bonded to one Ni(2), one Ni(3), and two equivalent Zn(2) atoms to form distorted SZn2Ni2 trigonal pyramids that share corners with two equivalent S(4)Mg2Ni3 square pyramids,  a cornercorner with one S(3)MgNi3 trigonal pyramid, and corners with two equivalent S(1)Zn2Ni2 trigonal pyramids. In the second S site, S(2) is bonded to one Ni(1), one Ni(4), and two equivalent Zn(1) atoms to form distorted SZn2Ni2 trigonal pyramids that share  a cornercorner with one S(4)Mg2Ni3 square pyramid, corners with two equivalent S(3)MgNi3 trigonal pyramids, and corners with two equivalent S(2)Zn2Ni2 trigonal pyramids. In the third S site, S(3) is bonded to one Mg(1), one Ni(2), and two equivalent Ni(1) atoms to form SMgNi3 trigonal pyramids that share corners with two equivalent S(4)Mg2Ni3 square pyramids,  a cornercorner with one S(1)Zn2Ni2 trigonal pyramid, corners with two equivalent S(3)MgNi3 trigonal pyramids, corners with two equivalent S(2)Zn2Ni2 trigonal pyramids, and edges with two equivalent S(4)Mg2Ni3 square pyramids. In the fourth S site, S(4) is bonded to two equivalent Mg(1), one Ni(1), and two equivalent Ni(2) atoms to form SMg2Ni3 square pyramids that share  a cornercorner with one S(2)Zn2Ni2 trigonal pyramid, corners with two equivalent S(3)MgNi3 trigonal pyramids, corners with two equivalent S(1)Zn2Ni2 trigonal pyramids, edges with two equivalent S(4)Mg2Ni3 square pyramids, and edges with two equivalent S(3)MgNi3 trigonal pyramids. In the fifth S site, S(5) is bonded in a distorted see-saw-like geometry to one Ni(3), two equivalent Ni(4), and one Zn(1) atom. In the sixth S site, S(6) is bonded in a distorted see-saw-like geometry to one Ni(4), two equivalent Ni(3), and one Zn(2) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Ni(4), two equivalent Zn(1), and one S(10) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Ni(3), two equivalent Zn(2), and one S(9) atom. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(2), and one S(8) atom. In the tenth S site, S(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1), one Ni(1), and one S(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(Ni2S5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.690
_cell_length_b   6.425
_cell_length_c   13.236
_cell_angle_alpha   92.624
_cell_angle_beta   89.999
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   313.523
_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  0.750  0.060  0.019  1.0
  Zn  Zn1  1  0.750  0.890  0.312  1.0
  Zn  Zn2  1  0.250  0.113  0.689  1.0
  Ni  Ni3  1  0.250  0.499  0.103  1.0
  Ni  Ni4  1  0.750  0.507  0.895  1.0
  Ni  Ni5  1  0.750  0.537  0.608  1.0
  Ni  Ni6  1  0.250  0.466  0.390  1.0
  S  S7  1  0.750  0.347  0.745  1.0
  S  S8  1  0.250  0.657  0.253  1.0
  S  S9  1  0.750  0.668  0.049  1.0
  S  S10  1  0.250  0.320  0.951  1.0
  S  S11  1  0.750  0.633  0.446  1.0
  S  S12  1  0.250  0.369  0.553  1.0
  S  S13  1  0.250  0.150  0.316  1.0
  S  S14  1  0.750  0.849  0.686  1.0
  S  S15  1  0.751  0.822  0.847  1.0
  S  S16  1  0.250  0.175  0.150  1.0
[/CIF]
.
The compound described by MgZn2(Ni2S5)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one S(3), one S(9), two equivalent S(10), and two equivalent S(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one S(10), one S(2), one S(4), and two equivalent S(3) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(4)S5 trigonal bipyramid, corners with two equivalent Ni(1)S5 trigonal bipyramids, corners with two equivalent Zn(1)S5 trigonal bipyramids, and edges with two equivalent Ni(2)S5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one S(1), one S(3), one S(9), and two equivalent S(4) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(3)S5 trigonal bipyramid, corners with two equivalent Ni(2)S5 trigonal bipyramids, corners with two equivalent Zn(2)S5 trigonal bipyramids, and edges with two equivalent Ni(1)S5 trigonal bipyramids. In the third Ni site, Ni(3) is bonded to one S(1), one S(5), one S(8), and two equivalent S(6) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(2)S5 trigonal bipyramid,  a cornercorner with one Zn(1)S5 trigonal bipyramid, corners with two equivalent Ni(3)S5 trigonal bipyramids, corners with two equivalent Zn(2)S5 trigonal bipyramids, edges with two equivalent Ni(4)S5 trigonal bipyramids, and edges with two equivalent Zn(2)S5 trigonal bipyramids. In the fourth Ni site, Ni(4) is bonded to one S(2), one S(6), one S(7), and two equivalent S(5) atoms to form NiS5 trigonal bipyramids that share  a cornercorner with one Ni(1)S5 trigonal bipyramid,  a cornercorner with one Zn(2)S5 trigonal bipyramid, corners with two equivalent Ni(4)S5 trigonal bipyramids, corners with two equivalent Zn(1)S5 trigonal bipyramids, edges with two equivalent Ni(3)S5 trigonal bipyramids, and edges with two equivalent Zn(1)S5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(5), two equivalent S(2), and two equivalent S(7) atoms to form distorted ZnS5 trigonal bipyramids that share  a cornercorner with one Ni(3)S5 trigonal bipyramid, corners with two equivalent Ni(1)S5 trigonal bipyramids, corners with two equivalent Ni(4)S5 trigonal bipyramids, edges with two equivalent Ni(4)S5 trigonal bipyramids, and edges with two equivalent Zn(1)S5 trigonal bipyramids. In the second Zn site, Zn(2) is bonded to one S(6), two equivalent S(1), and two equivalent S(8) atoms to form distorted ZnS5 trigonal bipyramids that share  a cornercorner with one Ni(4)S5 trigonal bipyramid, corners with two equivalent Ni(2)S5 trigonal bipyramids, corners with two equivalent Ni(3)S5 trigonal bipyramids, edges with two equivalent Ni(3)S5 trigonal bipyramids, and edges with two equivalent Zn(2)S5 trigonal bipyramids. There are ten inequivalent S sites. In the first S site, S(1) is bonded to one Ni(2), one Ni(3), and two equivalent Zn(2) atoms to form distorted SZn2Ni2 trigonal pyramids that share corners with two equivalent S(4)Mg2Ni3 square pyramids,  a cornercorner with one S(3)MgNi3 trigonal pyramid, and corners with two equivalent S(1)Zn2Ni2 trigonal pyramids. In the second S site, S(2) is bonded to one Ni(1), one Ni(4), and two equivalent Zn(1) atoms to form distorted SZn2Ni2 trigonal pyramids that share  a cornercorner with one S(4)Mg2Ni3 square pyramid, corners with two equivalent S(3)MgNi3 trigonal pyramids, and corners with two equivalent S(2)Zn2Ni2 trigonal pyramids. In the third S site, S(3) is bonded to one Mg(1), one Ni(2), and two equivalent Ni(1) atoms to form SMgNi3 trigonal pyramids that share corners with two equivalent S(4)Mg2Ni3 square pyramids,  a cornercorner with one S(1)Zn2Ni2 trigonal pyramid, corners with two equivalent S(3)MgNi3 trigonal pyramids, corners with two equivalent S(2)Zn2Ni2 trigonal pyramids, and edges with two equivalent S(4)Mg2Ni3 square pyramids. In the fourth S site, S(4) is bonded to two equivalent Mg(1), one Ni(1), and two equivalent Ni(2) atoms to form SMg2Ni3 square pyramids that share  a cornercorner with one S(2)Zn2Ni2 trigonal pyramid, corners with two equivalent S(3)MgNi3 trigonal pyramids, corners with two equivalent S(1)Zn2Ni2 trigonal pyramids, edges with two equivalent S(4)Mg2Ni3 square pyramids, and edges with two equivalent S(3)MgNi3 trigonal pyramids. In the fifth S site, S(5) is bonded in a distorted see-saw-like geometry to one Ni(3), two equivalent Ni(4), and one Zn(1) atom. In the sixth S site, S(6) is bonded in a distorted see-saw-like geometry to one Ni(4), two equivalent Ni(3), and one Zn(2) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Ni(4), two equivalent Zn(1), and one S(10) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Ni(3), two equivalent Zn(2), and one S(9) atom. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to one Mg(1), one Ni(2), and one S(8) atom. In the tenth S site, S(10) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mg(1), one Ni(1), and one S(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(Ni2S5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.690
_cell_length_b   6.425
_cell_length_c   13.236
_cell_angle_alpha   92.624
_cell_angle_beta   89.999
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   313.523
_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  0.750  0.060  0.019  1.0
  Zn  Zn1  1  0.750  0.890  0.312  1.0
  Zn  Zn2  1  0.250  0.113  0.689  1.0
  Ni  Ni3  1  0.250  0.499  0.103  1.0
  Ni  Ni4  1  0.750  0.507  0.895  1.0
  Ni  Ni5  1  0.750  0.537  0.608  1.0
  Ni  Ni6  1  0.250  0.466  0.390  1.0
  S  S7  1  0.750  0.347  0.745  1.0
  S  S8  1  0.250  0.657  0.253  1.0
  S  S9  1  0.750  0.668  0.049  1.0
  S  S10  1  0.250  0.320  0.951  1.0
  S  S11  1  0.750  0.633  0.446  1.0
  S  S12  1  0.250  0.369  0.553  1.0
  S  S13  1  0.250  0.150  0.316  1.0
  S  S14  1  0.750  0.849  0.686  1.0
  S  S15  1  0.751  0.822  0.847  1.0
  S  S16  1  0.250  0.175  0.150  1.0
[/CIF]
.