The material structure described by La5CuGe3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to two equivalent Cu(1) and five equivalent Ge(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to six equivalent Ge(1) atoms. Cu(1) is bonded to six equivalent La(1) atoms to form face-sharing CuLa6 octahedra. Ge(1) is bonded in a 9-coordinate geometry to four equivalent La(2) and five equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La5CuGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.278
_cell_length_b   9.278
_cell_length_c   6.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   505.600
_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  0.270  0.000  0.250  1.0
  La  La1  1  0.730  0.000  0.750  1.0
  La  La2  1  0.000  0.270  0.250  1.0
  La  La3  1  0.000  0.730  0.750  1.0
  La  La4  1  0.730  0.730  0.250  1.0
  La  La5  1  0.270  0.270  0.750  1.0
  La  La6  1  0.333  0.667  0.000  1.0
  La  La7  1  0.667  0.333  0.000  1.0
  La  La8  1  0.667  0.333  0.500  1.0
  La  La9  1  0.333  0.667  0.500  1.0
  Cu  Cu10  1  0.000  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  Ge  Ge12  1  0.619  0.000  0.250  1.0
  Ge  Ge13  1  0.381  0.000  0.750  1.0
  Ge  Ge14  1  0.000  0.619  0.250  1.0
  Ge  Ge15  1  0.000  0.381  0.750  1.0
  Ge  Ge16  1  0.381  0.381  0.250  1.0
  Ge  Ge17  1  0.619  0.619  0.750  1.0
[/CIF]
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The material structure described by La5CuGe3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to two equivalent Cu(1) and five equivalent Ge(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to six equivalent Ge(1) atoms. Cu(1) is bonded to six equivalent La(1) atoms to form face-sharing CuLa6 octahedra. Ge(1) is bonded in a 9-coordinate geometry to four equivalent La(2) and five equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La5CuGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.278
_cell_length_b   9.278
_cell_length_c   6.782
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   505.600
_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  0.270  0.000  0.250  1.0
  La  La1  1  0.730  0.000  0.750  1.0
  La  La2  1  0.000  0.270  0.250  1.0
  La  La3  1  0.000  0.730  0.750  1.0
  La  La4  1  0.730  0.730  0.250  1.0
  La  La5  1  0.270  0.270  0.750  1.0
  La  La6  1  0.333  0.667  0.000  1.0
  La  La7  1  0.667  0.333  0.000  1.0
  La  La8  1  0.667  0.333  0.500  1.0
  La  La9  1  0.333  0.667  0.500  1.0
  Cu  Cu10  1  0.000  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  Ge  Ge12  1  0.619  0.000  0.250  1.0
  Ge  Ge13  1  0.381  0.000  0.750  1.0
  Ge  Ge14  1  0.000  0.619  0.250  1.0
  Ge  Ge15  1  0.000  0.381  0.750  1.0
  Ge  Ge16  1  0.381  0.381  0.250  1.0
  Ge  Ge17  1  0.619  0.619  0.750  1.0
[/CIF]
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