The material structure described by BaLaCl5 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 8-coordinate geometry to one Cl(5), two equivalent Cl(1), two equivalent Cl(4), and three equivalent Cl(2) atoms. La(1) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(4), two equivalent Cl(5), and three equivalent Cl(3) atoms. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one La(1) atom. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to three equivalent Ba(1) atoms. In the third Cl site, Cl(3) is bonded in a trigonal non-coplanar geometry to three equivalent La(1) atoms. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one La(1) atom. In the fifth Cl site, Cl(5) is bonded in a distorted trigonal planar geometry to one Ba(1) and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_BaLaCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.575
_cell_length_b   7.779
_cell_length_c   13.064
_cell_angle_alpha   87.072
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.347
_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
  Ba  Ba0  1  0.250  0.945  0.843  1.0
  Ba  Ba1  1  0.750  0.055  0.157  1.0
  La  La2  1  0.750  0.564  0.654  1.0
  La  La3  1  0.250  0.436  0.346  1.0
  Cl  Cl4  1  0.750  0.921  0.660  1.0
  Cl  Cl5  1  0.250  0.845  0.076  1.0
  Cl  Cl6  1  0.250  0.670  0.520  1.0
  Cl  Cl7  1  0.750  0.637  0.859  1.0
  Cl  Cl8  1  0.750  0.637  0.283  1.0
  Cl  Cl9  1  0.250  0.363  0.717  1.0
  Cl  Cl10  1  0.250  0.363  0.141  1.0
  Cl  Cl11  1  0.750  0.330  0.480  1.0
  Cl  Cl12  1  0.750  0.155  0.924  1.0
  Cl  Cl13  1  0.250  0.079  0.340  1.0
[/CIF]
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The material structure described by BaLaCl5 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 8-coordinate geometry to one Cl(5), two equivalent Cl(1), two equivalent Cl(4), and three equivalent Cl(2) atoms. La(1) is bonded in a 7-coordinate geometry to one Cl(1), one Cl(4), two equivalent Cl(5), and three equivalent Cl(3) atoms. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one La(1) atom. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to three equivalent Ba(1) atoms. In the third Cl site, Cl(3) is bonded in a trigonal non-coplanar geometry to three equivalent La(1) atoms. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one La(1) atom. In the fifth Cl site, Cl(5) is bonded in a distorted trigonal planar geometry to one Ba(1) and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_BaLaCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.575
_cell_length_b   7.779
_cell_length_c   13.064
_cell_angle_alpha   87.072
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.347
_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
  Ba  Ba0  1  0.250  0.945  0.843  1.0
  Ba  Ba1  1  0.750  0.055  0.157  1.0
  La  La2  1  0.750  0.564  0.654  1.0
  La  La3  1  0.250  0.436  0.346  1.0
  Cl  Cl4  1  0.750  0.921  0.660  1.0
  Cl  Cl5  1  0.250  0.845  0.076  1.0
  Cl  Cl6  1  0.250  0.670  0.520  1.0
  Cl  Cl7  1  0.750  0.637  0.859  1.0
  Cl  Cl8  1  0.750  0.637  0.283  1.0
  Cl  Cl9  1  0.250  0.363  0.717  1.0
  Cl  Cl10  1  0.250  0.363  0.141  1.0
  Cl  Cl11  1  0.750  0.330  0.480  1.0
  Cl  Cl12  1  0.750  0.155  0.924  1.0
  Cl  Cl13  1  0.250  0.079  0.340  1.0
[/CIF]
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