The structure described by LiBa2Zn2(SO)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted linear geometry to one Ba(2), one S(1), one S(2), and two equivalent O(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Zn(2), two equivalent S(1), two equivalent S(2), and two equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent S(1), one O(1), and one O(2) atom to form distorted corner-sharing ZnS2O2 tetrahedra. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent S(2), one O(1), and one O(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Ba(2), and two equivalent Zn(1) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Ba(2), and two equivalent Zn(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Zn(1), and one Zn(2) atom to form distorted edge-sharing OBa4Zn2 octahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiZn2(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.041
_cell_length_b   6.512
_cell_length_c   7.213
_cell_angle_alpha   82.017
_cell_angle_beta   106.255
_cell_angle_gamma   89.943
_symmetry_Int_Tables_number   1
_cell_volume   180.304
_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
  Ba  Ba0  1  0.639  0.310  0.278  1.0
  Ba  Ba1  1  0.350  0.698  0.701  1.0
  Li  Li2  1  0.491  0.010  0.985  1.0
  Zn  Zn3  1  0.080  0.741  0.162  1.0
  Zn  Zn4  1  0.910  0.282  0.821  1.0
  S  S5  1  0.670  0.786  0.341  1.0
  S  S6  1  0.320  0.224  0.642  1.0
  O  O7  1  0.012  0.491  0.023  1.0
  O  O8  1  0.995  0.010  0.993  1.0
[/CIF]
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The structure described by LiBa2Zn2(SO)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a distorted linear geometry to one Ba(2), one S(1), one S(2), and two equivalent O(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to two equivalent S(1), two equivalent S(2), and two equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Li(1), two equivalent Zn(2), two equivalent S(1), two equivalent S(2), and two equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent S(1), one O(1), and one O(2) atom to form distorted corner-sharing ZnS2O2 tetrahedra. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to two equivalent Ba(2), two equivalent S(2), one O(1), and one O(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Ba(2), and two equivalent Zn(1) atoms. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Ba(2), and two equivalent Zn(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Zn(1), and one Zn(2) atom to form distorted edge-sharing OBa4Zn2 octahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiZn2(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.041
_cell_length_b   6.512
_cell_length_c   7.213
_cell_angle_alpha   82.017
_cell_angle_beta   106.255
_cell_angle_gamma   89.943
_symmetry_Int_Tables_number   1
_cell_volume   180.304
_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
  Ba  Ba0  1  0.639  0.310  0.278  1.0
  Ba  Ba1  1  0.350  0.698  0.701  1.0
  Li  Li2  1  0.491  0.010  0.985  1.0
  Zn  Zn3  1  0.080  0.741  0.162  1.0
  Zn  Zn4  1  0.910  0.282  0.821  1.0
  S  S5  1  0.670  0.786  0.341  1.0
  S  S6  1  0.320  0.224  0.642  1.0
  O  O7  1  0.012  0.491  0.023  1.0
  O  O8  1  0.995  0.010  0.993  1.0
[/CIF]
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