The crystal structure described by La2(ErGe)3 crystallizes in the hexagonal P6_3/mcm space group. Er(1) is bonded in a 5-coordinate geometry to five equivalent Ge(1) atoms. La(1) is bonded to six equivalent Ge(1) atoms to form a mixture of distorted face, corner, and edge-sharing LaGe6 octahedra. The corner-sharing octahedral tilt angles are 37°. Ge(1) is bonded in a 9-coordinate geometry to five equivalent Er(1) and four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La2(ErGe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.690
_cell_length_b   8.690
_cell_length_c   6.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   431.126
_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  0.667  0.333  0.000  1.0
  La  La1  1  0.333  0.667  0.000  1.0
  La  La2  1  0.333  0.667  0.500  1.0
  La  La3  1  0.667  0.333  0.500  1.0
  Er  Er4  1  0.757  0.757  0.750  1.0
  Er  Er5  1  0.243  0.000  0.750  1.0
  Er  Er6  1  0.000  0.243  0.750  1.0
  Er  Er7  1  0.243  0.243  0.250  1.0
  Er  Er8  1  0.757  0.000  0.250  1.0
  Er  Er9  1  0.000  0.757  0.250  1.0
  Ge  Ge10  1  0.384  0.384  0.750  1.0
  Ge  Ge11  1  0.616  0.000  0.750  1.0
  Ge  Ge12  1  0.000  0.616  0.750  1.0
  Ge  Ge13  1  0.616  0.616  0.250  1.0
  Ge  Ge14  1  0.384  0.000  0.250  1.0
  Ge  Ge15  1  0.000  0.384  0.250  1.0
[/CIF]
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The crystal structure described by La2(ErGe)3 crystallizes in the hexagonal P6_3/mcm space group. Er(1) is bonded in a 5-coordinate geometry to five equivalent Ge(1) atoms. La(1) is bonded to six equivalent Ge(1) atoms to form a mixture of distorted face, corner, and edge-sharing LaGe6 octahedra. The corner-sharing octahedral tilt angles are 37°. Ge(1) is bonded in a 9-coordinate geometry to five equivalent Er(1) and four equivalent La(1) atoms. is represented by the CIF card [CIF]
data_La2(ErGe)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.690
_cell_length_b   8.690
_cell_length_c   6.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   431.126
_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  0.667  0.333  0.000  1.0
  La  La1  1  0.333  0.667  0.000  1.0
  La  La2  1  0.333  0.667  0.500  1.0
  La  La3  1  0.667  0.333  0.500  1.0
  Er  Er4  1  0.757  0.757  0.750  1.0
  Er  Er5  1  0.243  0.000  0.750  1.0
  Er  Er6  1  0.000  0.243  0.750  1.0
  Er  Er7  1  0.243  0.243  0.250  1.0
  Er  Er8  1  0.757  0.000  0.250  1.0
  Er  Er9  1  0.000  0.757  0.250  1.0
  Ge  Ge10  1  0.384  0.384  0.750  1.0
  Ge  Ge11  1  0.616  0.000  0.750  1.0
  Ge  Ge12  1  0.000  0.616  0.750  1.0
  Ge  Ge13  1  0.616  0.616  0.250  1.0
  Ge  Ge14  1  0.384  0.000  0.250  1.0
  Ge  Ge15  1  0.000  0.384  0.250  1.0
[/CIF]
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