The crystal structure described by La3Ga4Cl 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 2-coordinate geometry to eight equivalent Ga(1) and two equivalent Cl(1) atoms. In the second La site, La(2) is bonded in a distorted linear geometry to eight equivalent Ga(1) and two equivalent Cl(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), and three equivalent Ga(1) atoms. Cl(1) is bonded to two equivalent La(2) and four equivalent La(1) atoms to form corner-sharing ClLa6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3Ga4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.130
_cell_length_b   8.130
_cell_length_c   8.130
_cell_angle_alpha   90.870
_cell_angle_beta   119.499
_cell_angle_gamma   119.499
_symmetry_Int_Tables_number   1
_cell_volume   382.859
_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  0.821  0.161  0.661  1.0
  La  La1  1  0.500  0.661  0.839  1.0
  La  La2  1  0.500  0.339  0.161  1.0
  La  La3  1  0.000  0.250  0.250  1.0
  La  La4  1  0.179  0.839  0.339  1.0
  La  La5  1  0.000  0.750  0.750  1.0
  Ga  Ga6  1  0.785  0.443  0.943  1.0
  Ga  Ga7  1  0.500  0.342  0.557  1.0
  Ga  Ga8  1  0.785  0.842  0.342  1.0
  Ga  Ga9  1  0.500  0.943  0.158  1.0
  Ga  Ga10  1  0.500  0.057  0.842  1.0
  Ga  Ga11  1  0.215  0.557  0.057  1.0
  Ga  Ga12  1  0.500  0.658  0.443  1.0
  Ga  Ga13  1  0.215  0.158  0.658  1.0
  Cl  Cl14  1  0.000  0.000  0.000  1.0
  Cl  Cl15  1  0.000  0.500  0.500  1.0
[/CIF]
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The crystal structure described by La3Ga4Cl 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 2-coordinate geometry to eight equivalent Ga(1) and two equivalent Cl(1) atoms. In the second La site, La(2) is bonded in a distorted linear geometry to eight equivalent Ga(1) and two equivalent Cl(1) atoms. Ga(1) is bonded in a 9-coordinate geometry to two equivalent La(2), four equivalent La(1), and three equivalent Ga(1) atoms. Cl(1) is bonded to two equivalent La(2) and four equivalent La(1) atoms to form corner-sharing ClLa6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La3Ga4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.130
_cell_length_b   8.130
_cell_length_c   8.130
_cell_angle_alpha   90.870
_cell_angle_beta   119.499
_cell_angle_gamma   119.499
_symmetry_Int_Tables_number   1
_cell_volume   382.859
_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  0.821  0.161  0.661  1.0
  La  La1  1  0.500  0.661  0.839  1.0
  La  La2  1  0.500  0.339  0.161  1.0
  La  La3  1  0.000  0.250  0.250  1.0
  La  La4  1  0.179  0.839  0.339  1.0
  La  La5  1  0.000  0.750  0.750  1.0
  Ga  Ga6  1  0.785  0.443  0.943  1.0
  Ga  Ga7  1  0.500  0.342  0.557  1.0
  Ga  Ga8  1  0.785  0.842  0.342  1.0
  Ga  Ga9  1  0.500  0.943  0.158  1.0
  Ga  Ga10  1  0.500  0.057  0.842  1.0
  Ga  Ga11  1  0.215  0.557  0.057  1.0
  Ga  Ga12  1  0.500  0.658  0.443  1.0
  Ga  Ga13  1  0.215  0.158  0.658  1.0
  Cl  Cl14  1  0.000  0.000  0.000  1.0
  Cl  Cl15  1  0.000  0.500  0.500  1.0
[/CIF]
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