The material structure described by La3Ge3Br2 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent Ge(2), two equivalent Ge(3), four equivalent Ge(1), and one Br(2) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent Ge(1), two equivalent Ge(3), one Br(1), and three equivalent Br(2) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to two equivalent Ge(3), four equivalent Ge(2), and three equivalent Br(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent La(2), four equivalent La(1), one Ge(1), and one Ge(3) atom. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent La(1), four equivalent La(3), one Ge(2), and one Ge(3) atom. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent La(3), one Ge(1), and one Ge(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one La(2) and three equivalent La(3) atoms. In the second Br site, Br(2) is bonded to one La(1) and three equivalent La(2) atoms to form a mixture of distorted edge and corner-sharing BrLa4 tetrahedra. is represented by the CIF file [CIF]
data_La3Ge3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.354
_cell_length_b   9.632
_cell_length_c   10.926
_cell_angle_alpha   97.901
_cell_angle_beta   89.990
_cell_angle_gamma   103.090
_symmetry_Int_Tables_number   1
_cell_volume   441.764
_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  0.469  0.938  0.169  1.0
  La  La1  1  0.677  0.353  0.147  1.0
  La  La2  1  0.323  0.647  0.853  1.0
  La  La3  1  0.531  0.062  0.831  1.0
  La  La4  1  0.612  0.224  0.489  1.0
  La  La5  1  0.388  0.776  0.511  1.0
  Ge  Ge6  1  0.932  0.866  0.955  1.0
  Ge  Ge7  1  0.977  0.954  0.384  1.0
  Ge  Ge8  1  0.093  0.185  0.281  1.0
  Ge  Ge9  1  0.023  0.046  0.616  1.0
  Ge  Ge10  1  0.907  0.816  0.719  1.0
  Ge  Ge11  1  0.068  0.134  0.045  1.0
  Br  Br12  1  0.224  0.450  0.609  1.0
  Br  Br13  1  0.300  0.598  0.129  1.0
  Br  Br14  1  0.776  0.550  0.391  1.0
  Br  Br15  1  0.700  0.402  0.870  1.0
[/CIF]
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The material structure described by La3Ge3Br2 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent Ge(2), two equivalent Ge(3), four equivalent Ge(1), and one Br(2) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent Ge(1), two equivalent Ge(3), one Br(1), and three equivalent Br(2) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to two equivalent Ge(3), four equivalent Ge(2), and three equivalent Br(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to two equivalent La(2), four equivalent La(1), one Ge(1), and one Ge(3) atom. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to two equivalent La(1), four equivalent La(3), one Ge(2), and one Ge(3) atom. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent La(3), one Ge(1), and one Ge(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one La(2) and three equivalent La(3) atoms. In the second Br site, Br(2) is bonded to one La(1) and three equivalent La(2) atoms to form a mixture of distorted edge and corner-sharing BrLa4 tetrahedra. is represented by the CIF file [CIF]
data_La3Ge3Br2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.354
_cell_length_b   9.632
_cell_length_c   10.926
_cell_angle_alpha   97.901
_cell_angle_beta   89.990
_cell_angle_gamma   103.090
_symmetry_Int_Tables_number   1
_cell_volume   441.764
_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  0.469  0.938  0.169  1.0
  La  La1  1  0.677  0.353  0.147  1.0
  La  La2  1  0.323  0.647  0.853  1.0
  La  La3  1  0.531  0.062  0.831  1.0
  La  La4  1  0.612  0.224  0.489  1.0
  La  La5  1  0.388  0.776  0.511  1.0
  Ge  Ge6  1  0.932  0.866  0.955  1.0
  Ge  Ge7  1  0.977  0.954  0.384  1.0
  Ge  Ge8  1  0.093  0.185  0.281  1.0
  Ge  Ge9  1  0.023  0.046  0.616  1.0
  Ge  Ge10  1  0.907  0.816  0.719  1.0
  Ge  Ge11  1  0.068  0.134  0.045  1.0
  Br  Br12  1  0.224  0.450  0.609  1.0
  Br  Br13  1  0.300  0.598  0.129  1.0
  Br  Br14  1  0.776  0.550  0.391  1.0
  Br  Br15  1  0.700  0.402  0.870  1.0
[/CIF]
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