The crystal structure described by Sr2SiO3Cl2 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), one Cl(1), one Cl(2), and one Cl(3) atom. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded to three equivalent Sr(1) and one Si(1) atom to form a mixture of distorted corner and edge-sharing OSr3Si tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1) atoms. In the second Cl site, Cl(2) is bonded in a square co-planar geometry to four equivalent Sr(1) atoms. In the third Cl site, Cl(3) is bonded in a rectangular see-saw-like geometry to four equivalent Sr(1) atoms. is represented by the CIF card [CIF]
data_Sr2SiCl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.337
_cell_length_b   9.337
_cell_length_c   9.337
_cell_angle_alpha   105.560
_cell_angle_beta   105.560
_cell_angle_gamma   117.614
_symmetry_Int_Tables_number   1
_cell_volume   616.954
_cell_formula_units_Z   4
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  0.519  0.689  0.668  1.0
  Sr  Sr1  1  0.311  0.979  0.830  1.0
  Sr  Sr2  1  0.689  0.021  0.170  1.0
  Sr  Sr3  1  0.021  0.852  0.332  1.0
  Sr  Sr4  1  0.852  0.519  0.830  1.0
  Sr  Sr5  1  0.148  0.481  0.170  1.0
  Sr  Sr6  1  0.481  0.311  0.332  1.0
  Sr  Sr7  1  0.979  0.148  0.668  1.0
  Si  Si8  1  0.318  0.597  0.914  1.0
  Si  Si9  1  0.403  0.318  0.721  1.0
  Si  Si10  1  0.597  0.682  0.279  1.0
  Si  Si11  1  0.682  0.403  0.086  1.0
  Cl  Cl12  1  0.745  0.096  0.841  1.0
  Cl  Cl13  1  0.201  0.201  0.000  1.0
  Cl  Cl14  1  0.904  0.745  0.649  1.0
  Cl  Cl15  1  0.799  0.799  0.000  1.0
  Cl  Cl16  1  0.096  0.255  0.351  1.0
  Cl  Cl17  1  0.250  0.750  0.500  1.0
  Cl  Cl18  1  0.255  0.904  0.159  1.0
  Cl  Cl19  1  0.750  0.250  0.500  1.0
  O  O20  1  0.336  0.450  0.786  1.0
  O  O21  1  0.891  0.516  0.116  1.0
  O  O22  1  0.401  0.775  0.884  1.0
  O  O23  1  0.664  0.550  0.214  1.0
  O  O24  1  0.225  0.109  0.626  1.0
  O  O25  1  0.109  0.484  0.884  1.0
  O  O26  1  0.775  0.891  0.374  1.0
  O  O27  1  0.484  0.599  0.374  1.0
  O  O28  1  0.516  0.401  0.626  1.0
  O  O29  1  0.550  0.336  0.886  1.0
  O  O30  1  0.450  0.664  0.114  1.0
  O  O31  1  0.599  0.225  0.116  1.0
[/CIF]
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The crystal structure described by Sr2SiO3Cl2 crystallizes in the tetragonal I4/m space group. Sr(1) is bonded in a 7-coordinate geometry to one O(1), three equivalent O(2), one Cl(1), one Cl(2), and one Cl(3) atom. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing SiO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded to three equivalent Sr(1) and one Si(1) atom to form a mixture of distorted corner and edge-sharing OSr3Si tetrahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1) atoms. In the second Cl site, Cl(2) is bonded in a square co-planar geometry to four equivalent Sr(1) atoms. In the third Cl site, Cl(3) is bonded in a rectangular see-saw-like geometry to four equivalent Sr(1) atoms. is represented by the CIF card [CIF]
data_Sr2SiCl2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.337
_cell_length_b   9.337
_cell_length_c   9.337
_cell_angle_alpha   105.560
_cell_angle_beta   105.560
_cell_angle_gamma   117.614
_symmetry_Int_Tables_number   1
_cell_volume   616.954
_cell_formula_units_Z   4
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  0.519  0.689  0.668  1.0
  Sr  Sr1  1  0.311  0.979  0.830  1.0
  Sr  Sr2  1  0.689  0.021  0.170  1.0
  Sr  Sr3  1  0.021  0.852  0.332  1.0
  Sr  Sr4  1  0.852  0.519  0.830  1.0
  Sr  Sr5  1  0.148  0.481  0.170  1.0
  Sr  Sr6  1  0.481  0.311  0.332  1.0
  Sr  Sr7  1  0.979  0.148  0.668  1.0
  Si  Si8  1  0.318  0.597  0.914  1.0
  Si  Si9  1  0.403  0.318  0.721  1.0
  Si  Si10  1  0.597  0.682  0.279  1.0
  Si  Si11  1  0.682  0.403  0.086  1.0
  Cl  Cl12  1  0.745  0.096  0.841  1.0
  Cl  Cl13  1  0.201  0.201  0.000  1.0
  Cl  Cl14  1  0.904  0.745  0.649  1.0
  Cl  Cl15  1  0.799  0.799  0.000  1.0
  Cl  Cl16  1  0.096  0.255  0.351  1.0
  Cl  Cl17  1  0.250  0.750  0.500  1.0
  Cl  Cl18  1  0.255  0.904  0.159  1.0
  Cl  Cl19  1  0.750  0.250  0.500  1.0
  O  O20  1  0.336  0.450  0.786  1.0
  O  O21  1  0.891  0.516  0.116  1.0
  O  O22  1  0.401  0.775  0.884  1.0
  O  O23  1  0.664  0.550  0.214  1.0
  O  O24  1  0.225  0.109  0.626  1.0
  O  O25  1  0.109  0.484  0.884  1.0
  O  O26  1  0.775  0.891  0.374  1.0
  O  O27  1  0.484  0.599  0.374  1.0
  O  O28  1  0.516  0.401  0.626  1.0
  O  O29  1  0.550  0.336  0.886  1.0
  O  O30  1  0.450  0.664  0.114  1.0
  O  O31  1  0.599  0.225  0.116  1.0
[/CIF]
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