The crystal structure described by Sr2ZnGe2S6O crystallizes in the tetragonal P-42_1m space group. Sr(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 ZnS4 tetrahedra that share corners with four equivalent Ge(1)S3O tetrahedra. Ge(1) is bonded to one S(2), two equivalent S(1), and one O(1) atom to form distorted GeS3O tetrahedra that share  a cornercorner with one Ge(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 Sr(1), one Zn(1), and one Ge(1) atom to form distorted SSr2ZnGe trigonal pyramids that share  a cornercorner with one O(1)Sr2Ge2 tetrahedra, corners with five equivalent S(2)Sr3Ge tetrahedra, corners with eight equivalent S(1)Sr2ZnGe trigonal pyramids,  an edgeedge with one S(2)Sr3Ge tetrahedra,  an edgeedge with one O(1)Sr2Ge2 tetrahedra, and  an edgeedge with one S(1)Sr2ZnGe trigonal pyramid. In the second S site, S(2) is bonded to three equivalent Sr(1) and one Ge(1) atom to form distorted SSr3Ge tetrahedra that share corners with two equivalent O(1)Sr2Ge2 tetrahedra, corners with four equivalent S(2)Sr3Ge tetrahedra, corners with ten equivalent S(1)Sr2ZnGe trigonal pyramids,  an edgeedge with one S(2)Sr3Ge tetrahedra,  an edgeedge with one O(1)Sr2Ge2 tetrahedra, and edges with two equivalent S(1)Sr2ZnGe trigonal pyramids. O(1) is bonded to two equivalent Sr(1) and two equivalent Ge(1) atoms to form distorted OSr2Ge2 tetrahedra that share corners with four equivalent S(2)Sr3Ge tetrahedra, corners with four equivalent S(1)Sr2ZnGe trigonal pyramids, edges with two equivalent S(2)Sr3Ge tetrahedra, and edges with four equivalent S(1)Sr2ZnGe trigonal pyramids. is represented by the CIF card [CIF]
data_Sr2ZnGe2S6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.260
_cell_length_b   9.539
_cell_length_c   9.539
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   569.602
_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
  Sr  Sr0  1  0.501  0.160  0.660  1.0
  Sr  Sr1  1  0.501  0.840  0.340  1.0
  Sr  Sr2  1  0.499  0.660  0.840  1.0
  Sr  Sr3  1  0.499  0.340  0.160  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Ge  Ge6  1  0.930  0.627  0.127  1.0
  Ge  Ge7  1  0.930  0.373  0.873  1.0
  Ge  Ge8  1  0.070  0.127  0.373  1.0
  Ge  Ge9  1  0.070  0.873  0.627  1.0
  S  S10  1  0.241  0.062  0.177  1.0
  S  S11  1  0.241  0.938  0.823  1.0
  S  S12  1  0.759  0.177  0.938  1.0
  S  S13  1  0.759  0.438  0.677  1.0
  S  S14  1  0.759  0.823  0.062  1.0
  S  S15  1  0.759  0.562  0.323  1.0
  S  S16  1  0.241  0.323  0.438  1.0
  S  S17  1  0.241  0.677  0.562  1.0
  S  S18  1  0.277  0.634  0.134  1.0
  S  S19  1  0.277  0.366  0.866  1.0
  S  S20  1  0.723  0.134  0.366  1.0
  S  S21  1  0.723  0.866  0.634  1.0
  O  O22  1  0.189  0.000  0.500  1.0
  O  O23  1  0.811  0.500  0.000  1.0
[/CIF]
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The crystal structure described by Sr2ZnGe2S6O crystallizes in the tetragonal P-42_1m space group. Sr(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 ZnS4 tetrahedra that share corners with four equivalent Ge(1)S3O tetrahedra. Ge(1) is bonded to one S(2), two equivalent S(1), and one O(1) atom to form distorted GeS3O tetrahedra that share  a cornercorner with one Ge(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 Sr(1), one Zn(1), and one Ge(1) atom to form distorted SSr2ZnGe trigonal pyramids that share  a cornercorner with one O(1)Sr2Ge2 tetrahedra, corners with five equivalent S(2)Sr3Ge tetrahedra, corners with eight equivalent S(1)Sr2ZnGe trigonal pyramids,  an edgeedge with one S(2)Sr3Ge tetrahedra,  an edgeedge with one O(1)Sr2Ge2 tetrahedra, and  an edgeedge with one S(1)Sr2ZnGe trigonal pyramid. In the second S site, S(2) is bonded to three equivalent Sr(1) and one Ge(1) atom to form distorted SSr3Ge tetrahedra that share corners with two equivalent O(1)Sr2Ge2 tetrahedra, corners with four equivalent S(2)Sr3Ge tetrahedra, corners with ten equivalent S(1)Sr2ZnGe trigonal pyramids,  an edgeedge with one S(2)Sr3Ge tetrahedra,  an edgeedge with one O(1)Sr2Ge2 tetrahedra, and edges with two equivalent S(1)Sr2ZnGe trigonal pyramids. O(1) is bonded to two equivalent Sr(1) and two equivalent Ge(1) atoms to form distorted OSr2Ge2 tetrahedra that share corners with four equivalent S(2)Sr3Ge tetrahedra, corners with four equivalent S(1)Sr2ZnGe trigonal pyramids, edges with two equivalent S(2)Sr3Ge tetrahedra, and edges with four equivalent S(1)Sr2ZnGe trigonal pyramids. is represented by the CIF card [CIF]
data_Sr2ZnGe2S6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.260
_cell_length_b   9.539
_cell_length_c   9.539
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   569.602
_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
  Sr  Sr0  1  0.501  0.160  0.660  1.0
  Sr  Sr1  1  0.501  0.840  0.340  1.0
  Sr  Sr2  1  0.499  0.660  0.840  1.0
  Sr  Sr3  1  0.499  0.340  0.160  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Ge  Ge6  1  0.930  0.627  0.127  1.0
  Ge  Ge7  1  0.930  0.373  0.873  1.0
  Ge  Ge8  1  0.070  0.127  0.373  1.0
  Ge  Ge9  1  0.070  0.873  0.627  1.0
  S  S10  1  0.241  0.062  0.177  1.0
  S  S11  1  0.241  0.938  0.823  1.0
  S  S12  1  0.759  0.177  0.938  1.0
  S  S13  1  0.759  0.438  0.677  1.0
  S  S14  1  0.759  0.823  0.062  1.0
  S  S15  1  0.759  0.562  0.323  1.0
  S  S16  1  0.241  0.323  0.438  1.0
  S  S17  1  0.241  0.677  0.562  1.0
  S  S18  1  0.277  0.634  0.134  1.0
  S  S19  1  0.277  0.366  0.866  1.0
  S  S20  1  0.723  0.134  0.366  1.0
  S  S21  1  0.723  0.866  0.634  1.0
  O  O22  1  0.189  0.000  0.500  1.0
  O  O23  1  0.811  0.500  0.000  1.0
[/CIF]
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