The material described by La2ZnGa2S6O crystallizes in the tetragonal P-42_1m space group. La(1) is bonded in a 8-coordinate geometry to three equivalent S(2), four equivalent S(1), and one O(1) atom. Zn(1) is bonded to four equivalent S(1) atoms to form distorted ZnS4 tetrahedra that share corners with four equivalent Ga(1)S3O tetrahedra. Ga(1) is bonded to one S(2), two equivalent S(1), and one O(1) atom to form distorted GaS3O tetrahedra that share  a cornercorner with one Ga(1)S3O tetrahedra and corners with two equivalent Zn(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent La(1), one Zn(1), and one Ga(1) atom to form distorted SLa2ZnGa trigonal pyramids that share  a cornercorner with one O(1)La2Ga2 tetrahedra, corners with five equivalent S(2)La3Ga tetrahedra, corners with eight equivalent S(1)La2ZnGa trigonal pyramids,  an edgeedge with one S(2)La3Ga tetrahedra,  an edgeedge with one O(1)La2Ga2 tetrahedra, and  an edgeedge with one S(1)La2ZnGa trigonal pyramid. In the second S site, S(2) is bonded to three equivalent La(1) and one Ga(1) atom to form SLa3Ga tetrahedra that share corners with two equivalent O(1)La2Ga2 tetrahedra, corners with four equivalent S(2)La3Ga tetrahedra, corners with ten equivalent S(1)La2ZnGa trigonal pyramids,  an edgeedge with one S(2)La3Ga tetrahedra,  an edgeedge with one O(1)La2Ga2 tetrahedra, and edges with two equivalent S(1)La2ZnGa trigonal pyramids. O(1) is bonded to two equivalent La(1) and two equivalent Ga(1) atoms to form OLa2Ga2 tetrahedra that share corners with four equivalent S(2)La3Ga tetrahedra, corners with four equivalent S(1)La2ZnGa trigonal pyramids, edges with two equivalent S(2)La3Ga tetrahedra, and edges with four equivalent S(1)La2ZnGa trigonal pyramids. is represented by the CIF card [CIF]
data_La2ZnGa2S6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.418
_cell_length_b   9.418
_cell_length_c   6.120
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   542.790
_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
  La  La0  1  0.845  0.655  0.492  1.0
  La  La1  1  0.345  0.845  0.508  1.0
  La  La2  1  0.655  0.155  0.508  1.0
  La  La3  1  0.155  0.345  0.492  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.500  0.000  1.0
  Ga  Ga6  1  0.628  0.872  0.914  1.0
  Ga  Ga7  1  0.372  0.128  0.914  1.0
  Ga  Ga8  1  0.128  0.628  0.086  1.0
  Ga  Ga9  1  0.872  0.372  0.086  1.0
  S  S10  1  0.935  0.168  0.259  1.0
  S  S11  1  0.065  0.832  0.259  1.0
  S  S12  1  0.168  0.065  0.741  1.0
  S  S13  1  0.832  0.935  0.741  1.0
  S  S14  1  0.668  0.435  0.259  1.0
  S  S15  1  0.565  0.668  0.741  1.0
  S  S16  1  0.435  0.332  0.741  1.0
  S  S17  1  0.332  0.565  0.259  1.0
  S  S18  1  0.368  0.132  0.280  1.0
  S  S19  1  0.868  0.368  0.720  1.0
  S  S20  1  0.132  0.632  0.720  1.0
  S  S21  1  0.632  0.868  0.280  1.0
  O  O22  1  0.500  0.000  0.764  1.0
  O  O23  1  0.000  0.500  0.236  1.0
[/CIF]
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The material described by La2ZnGa2S6O crystallizes in the tetragonal P-42_1m space group. La(1) is bonded in a 8-coordinate geometry to three equivalent S(2), four equivalent S(1), and one O(1) atom. Zn(1) is bonded to four equivalent S(1) atoms to form distorted ZnS4 tetrahedra that share corners with four equivalent Ga(1)S3O tetrahedra. Ga(1) is bonded to one S(2), two equivalent S(1), and one O(1) atom to form distorted GaS3O tetrahedra that share  a cornercorner with one Ga(1)S3O tetrahedra and corners with two equivalent Zn(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent La(1), one Zn(1), and one Ga(1) atom to form distorted SLa2ZnGa trigonal pyramids that share  a cornercorner with one O(1)La2Ga2 tetrahedra, corners with five equivalent S(2)La3Ga tetrahedra, corners with eight equivalent S(1)La2ZnGa trigonal pyramids,  an edgeedge with one S(2)La3Ga tetrahedra,  an edgeedge with one O(1)La2Ga2 tetrahedra, and  an edgeedge with one S(1)La2ZnGa trigonal pyramid. In the second S site, S(2) is bonded to three equivalent La(1) and one Ga(1) atom to form SLa3Ga tetrahedra that share corners with two equivalent O(1)La2Ga2 tetrahedra, corners with four equivalent S(2)La3Ga tetrahedra, corners with ten equivalent S(1)La2ZnGa trigonal pyramids,  an edgeedge with one S(2)La3Ga tetrahedra,  an edgeedge with one O(1)La2Ga2 tetrahedra, and edges with two equivalent S(1)La2ZnGa trigonal pyramids. O(1) is bonded to two equivalent La(1) and two equivalent Ga(1) atoms to form OLa2Ga2 tetrahedra that share corners with four equivalent S(2)La3Ga tetrahedra, corners with four equivalent S(1)La2ZnGa trigonal pyramids, edges with two equivalent S(2)La3Ga tetrahedra, and edges with four equivalent S(1)La2ZnGa trigonal pyramids. is represented by the CIF card [CIF]
data_La2ZnGa2S6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.418
_cell_length_b   9.418
_cell_length_c   6.120
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   542.790
_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
  La  La0  1  0.845  0.655  0.492  1.0
  La  La1  1  0.345  0.845  0.508  1.0
  La  La2  1  0.655  0.155  0.508  1.0
  La  La3  1  0.155  0.345  0.492  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.500  0.000  1.0
  Ga  Ga6  1  0.628  0.872  0.914  1.0
  Ga  Ga7  1  0.372  0.128  0.914  1.0
  Ga  Ga8  1  0.128  0.628  0.086  1.0
  Ga  Ga9  1  0.872  0.372  0.086  1.0
  S  S10  1  0.935  0.168  0.259  1.0
  S  S11  1  0.065  0.832  0.259  1.0
  S  S12  1  0.168  0.065  0.741  1.0
  S  S13  1  0.832  0.935  0.741  1.0
  S  S14  1  0.668  0.435  0.259  1.0
  S  S15  1  0.565  0.668  0.741  1.0
  S  S16  1  0.435  0.332  0.741  1.0
  S  S17  1  0.332  0.565  0.259  1.0
  S  S18  1  0.368  0.132  0.280  1.0
  S  S19  1  0.868  0.368  0.720  1.0
  S  S20  1  0.132  0.632  0.720  1.0
  S  S21  1  0.632  0.868  0.280  1.0
  O  O22  1  0.500  0.000  0.764  1.0
  O  O23  1  0.000  0.500  0.236  1.0
[/CIF]
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