The compound described by La5(AlBr)4 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted linear geometry to eight equivalent Al(1) and two equivalent Br(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to four equivalent Al(1), two equivalent Br(2), and three equivalent Br(1) atoms. Al(1) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), and three equivalent Al(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to six equivalent La(2) atoms to form distorted BrLa6 pentagonal pyramids that share corners with four equivalent Br(2)La5 square pyramids, edges with four equivalent Br(1)La6 pentagonal pyramids, edges with four equivalent Br(2)La5 square pyramids, and  a faceface with one Br(1)La6 pentagonal pyramid. In the second Br site, Br(2) is bonded to one La(1) and four equivalent La(2) atoms to form BrLa5 square pyramids that share corners with four equivalent Br(1)La6 pentagonal pyramids, corners with five equivalent Br(2)La5 square pyramids, and edges with four equivalent Br(1)La6 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5(AlBr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.727
_cell_length_b   11.727
_cell_length_c   11.728
_cell_angle_alpha   138.372
_cell_angle_beta   138.372
_cell_angle_gamma   60.348
_symmetry_Int_Tables_number   1
_cell_volume   704.196
_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
  La  La0  1  0.250  0.250  0.000  1.0
  La  La1  1  0.750  0.750  0.000  1.0
  La  La2  1  0.724  0.547  0.500  1.0
  La  La3  1  0.276  0.453  0.500  1.0
  La  La4  1  0.953  0.776  0.500  1.0
  La  La5  1  0.776  0.276  0.822  1.0
  La  La6  1  0.454  0.954  0.178  1.0
  La  La7  1  0.546  0.046  0.822  1.0
  La  La8  1  0.224  0.724  0.178  1.0
  La  La9  1  0.047  0.224  0.500  1.0
  Al  Al10  1  0.578  0.363  0.500  1.0
  Al  Al11  1  0.422  0.637  0.500  1.0
  Al  Al12  1  0.137  0.922  0.500  1.0
  Al  Al13  1  0.922  0.422  0.784  1.0
  Al  Al14  1  0.637  0.137  0.216  1.0
  Al  Al15  1  0.363  0.863  0.784  1.0
  Al  Al16  1  0.078  0.578  0.216  1.0
  Al  Al17  1  0.863  0.078  0.500  1.0
  Br  Br18  1  0.644  0.856  0.500  1.0
  Br  Br19  1  0.856  0.356  0.211  1.0
  Br  Br20  1  0.907  0.907  0.000  1.0
  Br  Br21  1  0.593  0.593  1.000  1.0
  Br  Br22  1  0.093  0.093  1.000  1.0
  Br  Br23  1  0.407  0.407  0.000  1.0
  Br  Br24  1  0.356  0.144  0.500  1.0
  Br  Br25  1  0.144  0.644  0.789  1.0
[/CIF]
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The compound described by La5(AlBr)4 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a distorted linear geometry to eight equivalent Al(1) and two equivalent Br(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to four equivalent Al(1), two equivalent Br(2), and three equivalent Br(1) atoms. Al(1) is bonded in a 9-coordinate geometry to two equivalent La(1), four equivalent La(2), and three equivalent Al(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to six equivalent La(2) atoms to form distorted BrLa6 pentagonal pyramids that share corners with four equivalent Br(2)La5 square pyramids, edges with four equivalent Br(1)La6 pentagonal pyramids, edges with four equivalent Br(2)La5 square pyramids, and  a faceface with one Br(1)La6 pentagonal pyramid. In the second Br site, Br(2) is bonded to one La(1) and four equivalent La(2) atoms to form BrLa5 square pyramids that share corners with four equivalent Br(1)La6 pentagonal pyramids, corners with five equivalent Br(2)La5 square pyramids, and edges with four equivalent Br(1)La6 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La5(AlBr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.727
_cell_length_b   11.727
_cell_length_c   11.728
_cell_angle_alpha   138.372
_cell_angle_beta   138.372
_cell_angle_gamma   60.348
_symmetry_Int_Tables_number   1
_cell_volume   704.196
_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
  La  La0  1  0.250  0.250  0.000  1.0
  La  La1  1  0.750  0.750  0.000  1.0
  La  La2  1  0.724  0.547  0.500  1.0
  La  La3  1  0.276  0.453  0.500  1.0
  La  La4  1  0.953  0.776  0.500  1.0
  La  La5  1  0.776  0.276  0.822  1.0
  La  La6  1  0.454  0.954  0.178  1.0
  La  La7  1  0.546  0.046  0.822  1.0
  La  La8  1  0.224  0.724  0.178  1.0
  La  La9  1  0.047  0.224  0.500  1.0
  Al  Al10  1  0.578  0.363  0.500  1.0
  Al  Al11  1  0.422  0.637  0.500  1.0
  Al  Al12  1  0.137  0.922  0.500  1.0
  Al  Al13  1  0.922  0.422  0.784  1.0
  Al  Al14  1  0.637  0.137  0.216  1.0
  Al  Al15  1  0.363  0.863  0.784  1.0
  Al  Al16  1  0.078  0.578  0.216  1.0
  Al  Al17  1  0.863  0.078  0.500  1.0
  Br  Br18  1  0.644  0.856  0.500  1.0
  Br  Br19  1  0.856  0.356  0.211  1.0
  Br  Br20  1  0.907  0.907  0.000  1.0
  Br  Br21  1  0.593  0.593  1.000  1.0
  Br  Br22  1  0.093  0.093  1.000  1.0
  Br  Br23  1  0.407  0.407  0.000  1.0
  Br  Br24  1  0.356  0.144  0.500  1.0
  Br  Br25  1  0.144  0.644  0.789  1.0
[/CIF]
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