The crystal structure described by Sr4OCl6 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), three equivalent Cl(1), and four equivalent Cl(2) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), three equivalent Cl(1), and three equivalent Cl(2) atoms. O(1) is bonded to one Sr(2) and three equivalent Sr(1) atoms to form OSr4 tetrahedra that share corners with six equivalent Cl(1)Sr4 trigonal pyramids and edges with three equivalent Cl(1)Sr4 trigonal pyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Sr(2) and three equivalent Sr(1) atoms to form distorted ClSr4 trigonal pyramids that share corners with two equivalent O(1)Sr4 tetrahedra, corners with eight equivalent Cl(1)Sr4 trigonal pyramids, and  an edgeedge with one O(1)Sr4 tetrahedra. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Sr(2) and four equivalent Sr(1) atoms. is represented by the CIF file [CIF]
data_Sr4Cl6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.502
_cell_length_b   9.502
_cell_length_c   7.238
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   565.930
_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  0.197  0.393  0.895  1.0
  Sr  Sr1  1  0.803  0.607  0.395  1.0
  Sr  Sr2  1  0.393  0.197  0.395  1.0
  Sr  Sr3  1  0.197  0.803  0.895  1.0
  Sr  Sr4  1  0.607  0.803  0.895  1.0
  Sr  Sr5  1  0.803  0.197  0.395  1.0
  Sr  Sr6  1  0.333  0.667  0.326  1.0
  Sr  Sr7  1  0.667  0.333  0.826  1.0
  Cl  Cl8  1  0.859  0.718  0.786  1.0
  Cl  Cl9  1  0.141  0.282  0.286  1.0
  Cl  Cl10  1  0.718  0.859  0.286  1.0
  Cl  Cl11  1  0.859  0.141  0.786  1.0
  Cl  Cl12  1  0.534  0.466  0.107  1.0
  Cl  Cl13  1  0.067  0.534  0.607  1.0
  Cl  Cl14  1  0.466  0.933  0.607  1.0
  Cl  Cl15  1  0.534  0.067  0.107  1.0
  Cl  Cl16  1  0.933  0.466  0.107  1.0
  Cl  Cl17  1  0.466  0.534  0.607  1.0
  Cl  Cl18  1  0.141  0.859  0.286  1.0
  Cl  Cl19  1  0.282  0.141  0.786  1.0
  O  O20  1  0.667  0.333  0.500  1.0
  O  O21  1  0.333  0.667  1.000  1.0
[/CIF]
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The crystal structure described by Sr4OCl6 crystallizes in the hexagonal P6_3mc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), three equivalent Cl(1), and four equivalent Cl(2) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), three equivalent Cl(1), and three equivalent Cl(2) atoms. O(1) is bonded to one Sr(2) and three equivalent Sr(1) atoms to form OSr4 tetrahedra that share corners with six equivalent Cl(1)Sr4 trigonal pyramids and edges with three equivalent Cl(1)Sr4 trigonal pyramids. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Sr(2) and three equivalent Sr(1) atoms to form distorted ClSr4 trigonal pyramids that share corners with two equivalent O(1)Sr4 tetrahedra, corners with eight equivalent Cl(1)Sr4 trigonal pyramids, and  an edgeedge with one O(1)Sr4 tetrahedra. In the second Cl site, Cl(2) is bonded in a 5-coordinate geometry to one Sr(2) and four equivalent Sr(1) atoms. is represented by the CIF file [CIF]
data_Sr4Cl6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.502
_cell_length_b   9.502
_cell_length_c   7.238
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   565.930
_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  0.197  0.393  0.895  1.0
  Sr  Sr1  1  0.803  0.607  0.395  1.0
  Sr  Sr2  1  0.393  0.197  0.395  1.0
  Sr  Sr3  1  0.197  0.803  0.895  1.0
  Sr  Sr4  1  0.607  0.803  0.895  1.0
  Sr  Sr5  1  0.803  0.197  0.395  1.0
  Sr  Sr6  1  0.333  0.667  0.326  1.0
  Sr  Sr7  1  0.667  0.333  0.826  1.0
  Cl  Cl8  1  0.859  0.718  0.786  1.0
  Cl  Cl9  1  0.141  0.282  0.286  1.0
  Cl  Cl10  1  0.718  0.859  0.286  1.0
  Cl  Cl11  1  0.859  0.141  0.786  1.0
  Cl  Cl12  1  0.534  0.466  0.107  1.0
  Cl  Cl13  1  0.067  0.534  0.607  1.0
  Cl  Cl14  1  0.466  0.933  0.607  1.0
  Cl  Cl15  1  0.534  0.067  0.107  1.0
  Cl  Cl16  1  0.933  0.466  0.107  1.0
  Cl  Cl17  1  0.466  0.534  0.607  1.0
  Cl  Cl18  1  0.141  0.859  0.286  1.0
  Cl  Cl19  1  0.282  0.141  0.786  1.0
  O  O20  1  0.667  0.333  0.500  1.0
  O  O21  1  0.333  0.667  1.000  1.0
[/CIF]
.