The compound described by SrLa2Cl8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent Cl(4) atoms. La(1) is bonded to one Cl(4), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form a mixture of distorted edge and corner-sharing LaCl7 pentagonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Sr(1) and two equivalent La(1) atoms. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent La(1) atoms. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to two equivalent La(1) atoms. In the fourth Cl site, Cl(4) is bonded in a bent 120 degrees geometry to one Sr(2) and one La(1) atom. is represented by the CIF file [CIF]
data_SrLa2Cl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.227
_cell_length_b   10.227
_cell_length_c   10.227
_cell_angle_alpha   97.781
_cell_angle_beta   97.781
_cell_angle_gamma   136.822
_symmetry_Int_Tables_number   1
_cell_volume   680.600
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.750  0.250  0.500  1.0
  La  La2  1  0.578  0.236  0.921  1.0
  La  La3  1  0.764  0.685  0.342  1.0
  La  La4  1  0.343  0.422  0.658  1.0
  La  La5  1  0.315  0.657  0.079  1.0
  Cl  Cl6  1  0.228  0.133  0.813  1.0
  Cl  Cl7  1  0.666  0.470  0.742  1.0
  Cl  Cl8  1  0.253  0.824  0.921  1.0
  Cl  Cl9  1  0.176  0.097  0.430  1.0
  Cl  Cl10  1  0.559  0.045  0.693  1.0
  Cl  Cl11  1  0.955  0.648  0.514  1.0
  Cl  Cl12  1  0.076  0.334  0.804  1.0
  Cl  Cl13  1  0.585  0.772  0.905  1.0
  Cl  Cl14  1  0.867  0.680  0.095  1.0
  Cl  Cl15  1  0.530  0.272  0.196  1.0
  Cl  Cl16  1  0.134  0.441  0.486  1.0
  Cl  Cl17  1  0.352  0.866  0.307  1.0
  Cl  Cl18  1  0.667  0.747  0.570  1.0
  Cl  Cl19  1  0.903  0.333  0.079  1.0
  Cl  Cl20  1  0.728  0.924  0.258  1.0
  Cl  Cl21  1  0.320  0.415  0.187  1.0
[/CIF]
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The compound described by SrLa2Cl8 crystallizes in the tetragonal I-4 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent Cl(1) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to four equivalent Cl(4) atoms. La(1) is bonded to one Cl(4), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form a mixture of distorted edge and corner-sharing LaCl7 pentagonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Sr(1) and two equivalent La(1) atoms. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent La(1) atoms. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to two equivalent La(1) atoms. In the fourth Cl site, Cl(4) is bonded in a bent 120 degrees geometry to one Sr(2) and one La(1) atom. is represented by the CIF file [CIF]
data_SrLa2Cl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.227
_cell_length_b   10.227
_cell_length_c   10.227
_cell_angle_alpha   97.781
_cell_angle_beta   97.781
_cell_angle_gamma   136.822
_symmetry_Int_Tables_number   1
_cell_volume   680.600
_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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.750  0.250  0.500  1.0
  La  La2  1  0.578  0.236  0.921  1.0
  La  La3  1  0.764  0.685  0.342  1.0
  La  La4  1  0.343  0.422  0.658  1.0
  La  La5  1  0.315  0.657  0.079  1.0
  Cl  Cl6  1  0.228  0.133  0.813  1.0
  Cl  Cl7  1  0.666  0.470  0.742  1.0
  Cl  Cl8  1  0.253  0.824  0.921  1.0
  Cl  Cl9  1  0.176  0.097  0.430  1.0
  Cl  Cl10  1  0.559  0.045  0.693  1.0
  Cl  Cl11  1  0.955  0.648  0.514  1.0
  Cl  Cl12  1  0.076  0.334  0.804  1.0
  Cl  Cl13  1  0.585  0.772  0.905  1.0
  Cl  Cl14  1  0.867  0.680  0.095  1.0
  Cl  Cl15  1  0.530  0.272  0.196  1.0
  Cl  Cl16  1  0.134  0.441  0.486  1.0
  Cl  Cl17  1  0.352  0.866  0.307  1.0
  Cl  Cl18  1  0.667  0.747  0.570  1.0
  Cl  Cl19  1  0.903  0.333  0.079  1.0
  Cl  Cl20  1  0.728  0.924  0.258  1.0
  Cl  Cl21  1  0.320  0.415  0.187  1.0
[/CIF]
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