The structure described by BaLaBr5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent Br(1), two equivalent Br(3), and four equivalent Br(2) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted water-like geometry to one Ba(1) and one La(1) atom. In the second Br site, Br(2) is bonded in a trigonal non-coplanar geometry to one Ba(1) and two equivalent La(1) atoms. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_BaLaBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.651
_cell_length_b   10.897
_cell_length_c   11.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   986.066
_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
  Ba  Ba0  1  0.250  0.626  0.173  1.0
  Ba  Ba1  1  0.750  0.126  0.327  1.0
  Ba  Ba2  1  0.250  0.874  0.673  1.0
  Ba  Ba3  1  0.750  0.374  0.827  1.0
  La  La4  1  0.250  0.151  0.030  1.0
  La  La5  1  0.750  0.651  0.470  1.0
  La  La6  1  0.250  0.349  0.530  1.0
  La  La7  1  0.750  0.849  0.970  1.0
  Br  Br8  1  0.981  0.338  0.061  1.0
  Br  Br9  1  0.519  0.338  0.061  1.0
  Br  Br10  1  0.001  0.963  0.145  1.0
  Br  Br11  1  0.499  0.963  0.145  1.0
  Br  Br12  1  0.250  0.189  0.294  1.0
  Br  Br13  1  0.750  0.689  0.206  1.0
  Br  Br14  1  0.999  0.463  0.355  1.0
  Br  Br15  1  0.501  0.463  0.355  1.0
  Br  Br16  1  0.019  0.838  0.439  1.0
  Br  Br17  1  0.481  0.838  0.439  1.0
  Br  Br18  1  0.981  0.162  0.561  1.0
  Br  Br19  1  0.519  0.162  0.561  1.0
  Br  Br20  1  0.001  0.537  0.645  1.0
  Br  Br21  1  0.499  0.537  0.645  1.0
  Br  Br22  1  0.250  0.311  0.794  1.0
  Br  Br23  1  0.750  0.811  0.706  1.0
  Br  Br24  1  0.501  0.037  0.855  1.0
  Br  Br25  1  0.999  0.037  0.855  1.0
  Br  Br26  1  0.481  0.662  0.939  1.0
  Br  Br27  1  0.019  0.662  0.939  1.0
[/CIF]
.
The structure described by BaLaBr5 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent Br(1), two equivalent Br(3), and four equivalent Br(2) atoms. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted water-like geometry to one Ba(1) and one La(1) atom. In the second Br site, Br(2) is bonded in a trigonal non-coplanar geometry to one Ba(1) and two equivalent La(1) atoms. In the third Br site, Br(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_BaLaBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.651
_cell_length_b   10.897
_cell_length_c   11.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   986.066
_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
  Ba  Ba0  1  0.250  0.626  0.173  1.0
  Ba  Ba1  1  0.750  0.126  0.327  1.0
  Ba  Ba2  1  0.250  0.874  0.673  1.0
  Ba  Ba3  1  0.750  0.374  0.827  1.0
  La  La4  1  0.250  0.151  0.030  1.0
  La  La5  1  0.750  0.651  0.470  1.0
  La  La6  1  0.250  0.349  0.530  1.0
  La  La7  1  0.750  0.849  0.970  1.0
  Br  Br8  1  0.981  0.338  0.061  1.0
  Br  Br9  1  0.519  0.338  0.061  1.0
  Br  Br10  1  0.001  0.963  0.145  1.0
  Br  Br11  1  0.499  0.963  0.145  1.0
  Br  Br12  1  0.250  0.189  0.294  1.0
  Br  Br13  1  0.750  0.689  0.206  1.0
  Br  Br14  1  0.999  0.463  0.355  1.0
  Br  Br15  1  0.501  0.463  0.355  1.0
  Br  Br16  1  0.019  0.838  0.439  1.0
  Br  Br17  1  0.481  0.838  0.439  1.0
  Br  Br18  1  0.981  0.162  0.561  1.0
  Br  Br19  1  0.519  0.162  0.561  1.0
  Br  Br20  1  0.001  0.537  0.645  1.0
  Br  Br21  1  0.499  0.537  0.645  1.0
  Br  Br22  1  0.250  0.311  0.794  1.0
  Br  Br23  1  0.750  0.811  0.706  1.0
  Br  Br24  1  0.501  0.037  0.855  1.0
  Br  Br25  1  0.999  0.037  0.855  1.0
  Br  Br26  1  0.481  0.662  0.939  1.0
  Br  Br27  1  0.019  0.662  0.939  1.0
[/CIF]
.