The crystal structure described by La4B4Cl5 crystallizes in the monoclinic C2/m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent Cl(1), and three equivalent Cl(3) atoms. In the second La site, La(2) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(2), one Cl(3), two equivalent Cl(2), and three equivalent Cl(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent La(1), two equivalent La(2), one B(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to two equivalent La(1), two equivalent La(2), one B(2), and two equivalent B(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to two equivalent La(1) and three equivalent La(2) atoms. In the second Cl site, Cl(2) is bonded in a square co-planar geometry to four equivalent La(2) atoms. In the third Cl site, Cl(3) is bonded in a rectangular see-saw-like geometry to one La(2) and three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4B4Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.272
_cell_length_b   8.601
_cell_length_c   9.071
_cell_angle_alpha   63.454
_cell_angle_beta   76.382
_cell_angle_gamma   75.622
_symmetry_Int_Tables_number   1
_cell_volume   285.809
_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
  La  La0  1  0.840  0.082  0.239  1.0
  La  La1  1  0.437  0.329  0.797  1.0
  La  La2  1  0.563  0.671  0.203  1.0
  La  La3  1  0.160  0.918  0.761  1.0
  B  B4  1  0.976  0.125  0.924  1.0
  B  B5  1  0.684  0.000  0.000  1.0
  B  B6  1  0.024  0.875  0.076  1.0
  B  B7  1  0.316  0.000  0.000  1.0
  Cl  Cl8  1  0.754  0.644  0.848  1.0
  Cl  Cl9  1  0.000  0.500  0.500  1.0
  Cl  Cl10  1  0.648  0.151  0.552  1.0
  Cl  Cl11  1  0.352  0.849  0.448  1.0
  Cl  Cl12  1  0.246  0.356  0.152  1.0
[/CIF]
.
The crystal structure described by La4B4Cl5 crystallizes in the monoclinic C2/m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent B(1), two equivalent B(2), two equivalent Cl(1), and three equivalent Cl(3) atoms. In the second La site, La(2) is bonded in a 10-coordinate geometry to two equivalent B(1), two equivalent B(2), one Cl(3), two equivalent Cl(2), and three equivalent Cl(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent La(1), two equivalent La(2), one B(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 7-coordinate geometry to two equivalent La(1), two equivalent La(2), one B(2), and two equivalent B(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to two equivalent La(1) and three equivalent La(2) atoms. In the second Cl site, Cl(2) is bonded in a square co-planar geometry to four equivalent La(2) atoms. In the third Cl site, Cl(3) is bonded in a rectangular see-saw-like geometry to one La(2) and three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4B4Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.272
_cell_length_b   8.601
_cell_length_c   9.071
_cell_angle_alpha   63.454
_cell_angle_beta   76.382
_cell_angle_gamma   75.622
_symmetry_Int_Tables_number   1
_cell_volume   285.809
_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
  La  La0  1  0.840  0.082  0.239  1.0
  La  La1  1  0.437  0.329  0.797  1.0
  La  La2  1  0.563  0.671  0.203  1.0
  La  La3  1  0.160  0.918  0.761  1.0
  B  B4  1  0.976  0.125  0.924  1.0
  B  B5  1  0.684  0.000  0.000  1.0
  B  B6  1  0.024  0.875  0.076  1.0
  B  B7  1  0.316  0.000  0.000  1.0
  Cl  Cl8  1  0.754  0.644  0.848  1.0
  Cl  Cl9  1  0.000  0.500  0.500  1.0
  Cl  Cl10  1  0.648  0.151  0.552  1.0
  Cl  Cl11  1  0.352  0.849  0.448  1.0
  Cl  Cl12  1  0.246  0.356  0.152  1.0
[/CIF]
.