The crystal structure described by Sr3La2Cl12 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(5), two equivalent Cl(4), and two equivalent Cl(6) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(5) atoms. La(1) is bonded in a distorted body-centered cubic geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(6), two equivalent Cl(3), and two equivalent Cl(5) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Sr(1), one Sr(2), and one La(1) atom. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to one Sr(1), one Sr(2), and one La(1) atom. In the third Cl site, Cl(3) is bonded to one Sr(1), one Sr(2), and two equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing ClSr2La2 tetrahedra. In the fourth Cl site, Cl(4) is bonded in a trigonal non-coplanar geometry to two equivalent Sr(1) and one La(1) atom. In the fifth Cl site, Cl(5) is bonded to one Sr(1), one Sr(2), and two equivalent La(1) atoms to form a mixture of corner and edge-sharing ClSr2La2 tetrahedra. In the sixth Cl site, Cl(6) is bonded in a trigonal non-coplanar geometry to two equivalent Sr(1) and one La(1) atom. is represented by the CIF file [CIF]
data_Sr3La2Cl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.689
_cell_length_b   8.689
_cell_length_c   15.535
_cell_angle_alpha   79.502
_cell_angle_beta   79.502
_cell_angle_gamma   109.939
_symmetry_Int_Tables_number   1
_cell_volume   1045.647
_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  0.548  0.792  0.923  1.0
  Sr  Sr1  1  0.792  0.548  0.423  1.0
  Sr  Sr2  1  0.119  0.881  0.750  1.0
  Sr  Sr3  1  0.881  0.119  0.250  1.0
  Sr  Sr4  1  0.208  0.452  0.577  1.0
  Sr  Sr5  1  0.452  0.208  0.077  1.0
  La  La6  1  0.700  0.957  0.594  1.0
  La  La7  1  0.957  0.700  0.094  1.0
  La  La8  1  0.043  0.300  0.906  1.0
  La  La9  1  0.300  0.043  0.406  1.0
  Cl  Cl10  1  0.485  0.954  0.757  1.0
  Cl  Cl11  1  0.767  0.768  0.745  1.0
  Cl  Cl12  1  0.118  0.666  0.920  1.0
  Cl  Cl13  1  0.818  0.317  0.580  1.0
  Cl  Cl14  1  0.907  0.930  0.926  1.0
  Cl  Cl15  1  0.564  0.624  0.574  1.0
  Cl  Cl16  1  0.954  0.485  0.257  1.0
  Cl  Cl17  1  0.376  0.436  0.926  1.0
  Cl  Cl18  1  0.070  0.093  0.574  1.0
  Cl  Cl19  1  0.683  0.182  0.920  1.0
  Cl  Cl20  1  0.334  0.882  0.580  1.0
  Cl  Cl21  1  0.768  0.767  0.245  1.0
  Cl  Cl22  1  0.232  0.233  0.755  1.0
  Cl  Cl23  1  0.666  0.118  0.420  1.0
  Cl  Cl24  1  0.317  0.818  0.080  1.0
  Cl  Cl25  1  0.930  0.907  0.426  1.0
  Cl  Cl26  1  0.624  0.564  0.074  1.0
  Cl  Cl27  1  0.046  0.515  0.743  1.0
  Cl  Cl28  1  0.436  0.376  0.426  1.0
  Cl  Cl29  1  0.093  0.070  0.074  1.0
  Cl  Cl30  1  0.182  0.683  0.420  1.0
  Cl  Cl31  1  0.882  0.334  0.080  1.0
  Cl  Cl32  1  0.233  0.232  0.255  1.0
  Cl  Cl33  1  0.515  0.046  0.243  1.0
[/CIF]
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The crystal structure described by Sr3La2Cl12 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(5), two equivalent Cl(4), and two equivalent Cl(6) atoms. In the second Sr site, Sr(2) is bonded in a body-centered cubic geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(5) atoms. La(1) is bonded in a distorted body-centered cubic geometry to one Cl(1), one Cl(2), one Cl(4), one Cl(6), two equivalent Cl(3), and two equivalent Cl(5) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Sr(1), one Sr(2), and one La(1) atom. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to one Sr(1), one Sr(2), and one La(1) atom. In the third Cl site, Cl(3) is bonded to one Sr(1), one Sr(2), and two equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing ClSr2La2 tetrahedra. In the fourth Cl site, Cl(4) is bonded in a trigonal non-coplanar geometry to two equivalent Sr(1) and one La(1) atom. In the fifth Cl site, Cl(5) is bonded to one Sr(1), one Sr(2), and two equivalent La(1) atoms to form a mixture of corner and edge-sharing ClSr2La2 tetrahedra. In the sixth Cl site, Cl(6) is bonded in a trigonal non-coplanar geometry to two equivalent Sr(1) and one La(1) atom. is represented by the CIF file [CIF]
data_Sr3La2Cl12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.689
_cell_length_b   8.689
_cell_length_c   15.535
_cell_angle_alpha   79.502
_cell_angle_beta   79.502
_cell_angle_gamma   109.939
_symmetry_Int_Tables_number   1
_cell_volume   1045.647
_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  0.548  0.792  0.923  1.0
  Sr  Sr1  1  0.792  0.548  0.423  1.0
  Sr  Sr2  1  0.119  0.881  0.750  1.0
  Sr  Sr3  1  0.881  0.119  0.250  1.0
  Sr  Sr4  1  0.208  0.452  0.577  1.0
  Sr  Sr5  1  0.452  0.208  0.077  1.0
  La  La6  1  0.700  0.957  0.594  1.0
  La  La7  1  0.957  0.700  0.094  1.0
  La  La8  1  0.043  0.300  0.906  1.0
  La  La9  1  0.300  0.043  0.406  1.0
  Cl  Cl10  1  0.485  0.954  0.757  1.0
  Cl  Cl11  1  0.767  0.768  0.745  1.0
  Cl  Cl12  1  0.118  0.666  0.920  1.0
  Cl  Cl13  1  0.818  0.317  0.580  1.0
  Cl  Cl14  1  0.907  0.930  0.926  1.0
  Cl  Cl15  1  0.564  0.624  0.574  1.0
  Cl  Cl16  1  0.954  0.485  0.257  1.0
  Cl  Cl17  1  0.376  0.436  0.926  1.0
  Cl  Cl18  1  0.070  0.093  0.574  1.0
  Cl  Cl19  1  0.683  0.182  0.920  1.0
  Cl  Cl20  1  0.334  0.882  0.580  1.0
  Cl  Cl21  1  0.768  0.767  0.245  1.0
  Cl  Cl22  1  0.232  0.233  0.755  1.0
  Cl  Cl23  1  0.666  0.118  0.420  1.0
  Cl  Cl24  1  0.317  0.818  0.080  1.0
  Cl  Cl25  1  0.930  0.907  0.426  1.0
  Cl  Cl26  1  0.624  0.564  0.074  1.0
  Cl  Cl27  1  0.046  0.515  0.743  1.0
  Cl  Cl28  1  0.436  0.376  0.426  1.0
  Cl  Cl29  1  0.093  0.070  0.074  1.0
  Cl  Cl30  1  0.182  0.683  0.420  1.0
  Cl  Cl31  1  0.882  0.334  0.080  1.0
  Cl  Cl32  1  0.233  0.232  0.255  1.0
  Cl  Cl33  1  0.515  0.046  0.243  1.0
[/CIF]
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