The material structure described by Zn4Ga2S7 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to four equivalent S(2) atoms. In the second Zn site, Zn(2) is bonded to one S(3), one S(4), and two equivalent S(2) atoms to form ZnS4 trigonal pyramids that share corners with three equivalent Ga(2)S4 tetrahedra and  an edgeedge with one Ga(1)S4 tetrahedra. In the third Zn site, Zn(3) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. In the fourth Zn site, Zn(4) is bonded in a bent 150 degrees geometry to one S(4) and one S(5) atom. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(3), one S(4), and two equivalent S(1) atoms to form distorted GaS4 tetrahedra that share  a cornercorner with one Ga(2)S4 tetrahedra and  an edgeedge with one Zn(2)S4 trigonal pyramid. In the second Ga site, Ga(2) is bonded to one S(3), one S(5), and two equivalent S(2) atoms to form GaS4 tetrahedra that share  a cornercorner with one Ga(1)S4 tetrahedra and corners with three equivalent Zn(2)S4 trigonal pyramids. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Zn(3) and one Ga(1) atom. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to one Zn(2), two equivalent Zn(1), and one Ga(2) atom. In the third S site, S(3) is bonded in a T-shaped geometry to one Zn(2), one Ga(1), and one Ga(2) atom. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Zn(2), one Zn(4), and one Ga(1) atom. In the fifth S site, S(5) is bonded in a distorted L-shaped geometry to one Zn(4) and one Ga(2) atom. is represented by the CIF file [CIF]
data_Zn4Ga2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.967
_cell_length_b   9.691
_cell_length_c   9.829
_cell_angle_alpha   65.838
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   605.525
_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
  Zn  Zn0  1  0.250  0.588  0.383  1.0
  Zn  Zn1  1  0.750  0.412  0.617  1.0
  Zn  Zn2  1  0.250  0.567  0.768  1.0
  Zn  Zn3  1  0.750  0.433  0.232  1.0
  Zn  Zn4  1  0.250  0.025  0.036  1.0
  Zn  Zn5  1  0.750  0.975  0.964  1.0
  Zn  Zn6  1  0.250  0.989  0.562  1.0
  Zn  Zn7  1  0.750  0.011  0.438  1.0
  Ga  Ga8  1  0.250  0.720  0.032  1.0
  Ga  Ga9  1  0.750  0.280  0.968  1.0
  Ga  Ga10  1  0.250  0.314  0.283  1.0
  Ga  Ga11  1  0.750  0.686  0.717  1.0
  S  S12  1  0.486  0.817  0.131  1.0
  S  S13  1  0.986  0.183  0.869  1.0
  S  S14  1  0.514  0.183  0.869  1.0
  S  S15  1  0.014  0.817  0.131  1.0
  S  S16  1  0.490  0.403  0.394  1.0
  S  S17  1  0.990  0.597  0.606  1.0
  S  S18  1  0.510  0.597  0.606  1.0
  S  S19  1  0.010  0.403  0.394  1.0
  S  S20  1  0.250  0.480  0.037  1.0
  S  S21  1  0.750  0.520  0.963  1.0
  S  S22  1  0.250  0.807  0.779  1.0
  S  S23  1  0.750  0.193  0.221  1.0
  S  S24  1  0.250  0.068  0.322  1.0
  S  S25  1  0.750  0.932  0.678  1.0
[/CIF]
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The material structure described by Zn4Ga2S7 crystallizes in the monoclinic P2_1/m space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to four equivalent S(2) atoms. In the second Zn site, Zn(2) is bonded to one S(3), one S(4), and two equivalent S(2) atoms to form ZnS4 trigonal pyramids that share corners with three equivalent Ga(2)S4 tetrahedra and  an edgeedge with one Ga(1)S4 tetrahedra. In the third Zn site, Zn(3) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. In the fourth Zn site, Zn(4) is bonded in a bent 150 degrees geometry to one S(4) and one S(5) atom. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one S(3), one S(4), and two equivalent S(1) atoms to form distorted GaS4 tetrahedra that share  a cornercorner with one Ga(2)S4 tetrahedra and  an edgeedge with one Zn(2)S4 trigonal pyramid. In the second Ga site, Ga(2) is bonded to one S(3), one S(5), and two equivalent S(2) atoms to form GaS4 tetrahedra that share  a cornercorner with one Ga(1)S4 tetrahedra and corners with three equivalent Zn(2)S4 trigonal pyramids. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent Zn(3) and one Ga(1) atom. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to one Zn(2), two equivalent Zn(1), and one Ga(2) atom. In the third S site, S(3) is bonded in a T-shaped geometry to one Zn(2), one Ga(1), and one Ga(2) atom. In the fourth S site, S(4) is bonded in a distorted T-shaped geometry to one Zn(2), one Zn(4), and one Ga(1) atom. In the fifth S site, S(5) is bonded in a distorted L-shaped geometry to one Zn(4) and one Ga(2) atom. is represented by the CIF file [CIF]
data_Zn4Ga2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.967
_cell_length_b   9.691
_cell_length_c   9.829
_cell_angle_alpha   65.838
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   605.525
_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
  Zn  Zn0  1  0.250  0.588  0.383  1.0
  Zn  Zn1  1  0.750  0.412  0.617  1.0
  Zn  Zn2  1  0.250  0.567  0.768  1.0
  Zn  Zn3  1  0.750  0.433  0.232  1.0
  Zn  Zn4  1  0.250  0.025  0.036  1.0
  Zn  Zn5  1  0.750  0.975  0.964  1.0
  Zn  Zn6  1  0.250  0.989  0.562  1.0
  Zn  Zn7  1  0.750  0.011  0.438  1.0
  Ga  Ga8  1  0.250  0.720  0.032  1.0
  Ga  Ga9  1  0.750  0.280  0.968  1.0
  Ga  Ga10  1  0.250  0.314  0.283  1.0
  Ga  Ga11  1  0.750  0.686  0.717  1.0
  S  S12  1  0.486  0.817  0.131  1.0
  S  S13  1  0.986  0.183  0.869  1.0
  S  S14  1  0.514  0.183  0.869  1.0
  S  S15  1  0.014  0.817  0.131  1.0
  S  S16  1  0.490  0.403  0.394  1.0
  S  S17  1  0.990  0.597  0.606  1.0
  S  S18  1  0.510  0.597  0.606  1.0
  S  S19  1  0.010  0.403  0.394  1.0
  S  S20  1  0.250  0.480  0.037  1.0
  S  S21  1  0.750  0.520  0.963  1.0
  S  S22  1  0.250  0.807  0.779  1.0
  S  S23  1  0.750  0.193  0.221  1.0
  S  S24  1  0.250  0.068  0.322  1.0
  S  S25  1  0.750  0.932  0.678  1.0
[/CIF]
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