The material described by BaLa2Cl8 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to two equivalent Cl(2), two equivalent Cl(3), and eight equivalent Cl(1) atoms to form distorted face-sharing BaCl12 cuboctahedra. La(1) is bonded in a 8-coordinate geometry to two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent La(1) atoms. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to one Ba(1) and two equivalent La(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one Ba(1) and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_BaLa2Cl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.828
_cell_length_b   7.828
_cell_length_c   5.520
_cell_angle_alpha   82.720
_cell_angle_beta   82.720
_cell_angle_gamma   111.294
_symmetry_Int_Tables_number   1
_cell_volume   307.096
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.320  0.680  0.500  1.0
  La  La2  1  0.680  0.320  0.500  1.0
  Cl  Cl3  1  0.941  0.677  0.575  1.0
  Cl  Cl4  1  0.677  0.941  0.575  1.0
  Cl  Cl5  1  0.619  0.619  0.200  1.0
  Cl  Cl6  1  0.753  0.247  0.000  1.0
  Cl  Cl7  1  0.247  0.753  0.000  1.0
  Cl  Cl8  1  0.381  0.381  0.800  1.0
  Cl  Cl9  1  0.323  0.059  0.425  1.0
  Cl  Cl10  1  0.059  0.323  0.425  1.0
[/CIF]
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The material described by BaLa2Cl8 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to two equivalent Cl(2), two equivalent Cl(3), and eight equivalent Cl(1) atoms to form distorted face-sharing BaCl12 cuboctahedra. La(1) is bonded in a 8-coordinate geometry to two equivalent Cl(2), two equivalent Cl(3), and four equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent La(1) atoms. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to one Ba(1) and two equivalent La(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one Ba(1) and two equivalent La(1) atoms. is represented by the CIF card [CIF]
data_BaLa2Cl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.828
_cell_length_b   7.828
_cell_length_c   5.520
_cell_angle_alpha   82.720
_cell_angle_beta   82.720
_cell_angle_gamma   111.294
_symmetry_Int_Tables_number   1
_cell_volume   307.096
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.000  0.000  1.0
  La  La1  1  0.320  0.680  0.500  1.0
  La  La2  1  0.680  0.320  0.500  1.0
  Cl  Cl3  1  0.941  0.677  0.575  1.0
  Cl  Cl4  1  0.677  0.941  0.575  1.0
  Cl  Cl5  1  0.619  0.619  0.200  1.0
  Cl  Cl6  1  0.753  0.247  0.000  1.0
  Cl  Cl7  1  0.247  0.753  0.000  1.0
  Cl  Cl8  1  0.381  0.381  0.800  1.0
  Cl  Cl9  1  0.323  0.059  0.425  1.0
  Cl  Cl10  1  0.059  0.323  0.425  1.0
[/CIF]
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