The crystal structure described by La4C2Br5 crystallizes in the orthorhombic Immm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to four equivalent C(1), two equivalent Br(1), and two equivalent Br(2) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one C(1) and six equivalent Br(1) atoms. C(1) is bonded in a 6-coordinate geometry to one La(2), four equivalent La(1), and one C(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one La(1) and three equivalent La(2) atoms. In the second Br site, Br(2) is bonded in a square co-planar geometry to four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La4C2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.269
_cell_length_b   10.268
_cell_length_c   10.268
_cell_angle_alpha   157.372
_cell_angle_beta   132.170
_cell_angle_gamma   53.531
_symmetry_Int_Tables_number   1
_cell_volume   307.522
_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  0.705  0.500  0.205  1.0
  La  La1  1  0.336  0.836  0.500  1.0
  La  La2  1  0.295  0.500  0.795  1.0
  La  La3  1  0.664  0.164  0.500  1.0
  C  C4  1  0.539  0.039  0.500  1.0
  C  C5  1  0.461  0.961  0.500  1.0
  Br  Br6  1  0.944  0.666  0.278  1.0
  Br  Br7  1  0.387  0.666  0.722  1.0
  Br  Br8  1  0.613  0.334  0.278  1.0
  Br  Br9  1  0.056  0.334  0.722  1.0
  Br  Br10  1  0.000  0.000  1.000  1.0
[/CIF]
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The crystal structure described by La4C2Br5 crystallizes in the orthorhombic Immm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to four equivalent C(1), two equivalent Br(1), and two equivalent Br(2) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one C(1) and six equivalent Br(1) atoms. C(1) is bonded in a 6-coordinate geometry to one La(2), four equivalent La(1), and one C(1) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to one La(1) and three equivalent La(2) atoms. In the second Br site, Br(2) is bonded in a square co-planar geometry to four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La4C2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.269
_cell_length_b   10.268
_cell_length_c   10.268
_cell_angle_alpha   157.372
_cell_angle_beta   132.170
_cell_angle_gamma   53.531
_symmetry_Int_Tables_number   1
_cell_volume   307.522
_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  0.705  0.500  0.205  1.0
  La  La1  1  0.336  0.836  0.500  1.0
  La  La2  1  0.295  0.500  0.795  1.0
  La  La3  1  0.664  0.164  0.500  1.0
  C  C4  1  0.539  0.039  0.500  1.0
  C  C5  1  0.461  0.961  0.500  1.0
  Br  Br6  1  0.944  0.666  0.278  1.0
  Br  Br7  1  0.387  0.666  0.722  1.0
  Br  Br8  1  0.613  0.334  0.278  1.0
  Br  Br9  1  0.056  0.334  0.722  1.0
  Br  Br10  1  0.000  0.000  1.000  1.0
[/CIF]
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