The compound described by GdZnGe crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 12-coordinate geometry to six equivalent Zn(1) and six equivalent Ge(1) atoms. In the second Gd site, Gd(2) is bonded to six equivalent Ge(1) atoms to form distorted edge-sharing GdGe6 octahedra. Zn(1) is bonded in a 6-coordinate geometry to three equivalent Gd(1) and three equivalent Ge(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to three equivalent Gd(1), three equivalent Gd(2), and three equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_GdZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.219
_cell_length_b   4.219
_cell_length_c   16.025
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   246.977
_cell_formula_units_Z   4
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
  Gd  Gd0  1  0.000  0.000  0.750  1.0
  Gd  Gd1  1  0.000  0.000  0.250  1.0
  Gd  Gd2  1  0.000  0.000  0.500  1.0
  Gd  Gd3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.667  0.333  0.853  1.0
  Zn  Zn5  1  0.667  0.333  0.647  1.0
  Zn  Zn6  1  0.333  0.667  0.147  1.0
  Zn  Zn7  1  0.333  0.667  0.353  1.0
  Ge  Ge8  1  0.667  0.333  0.114  1.0
  Ge  Ge9  1  0.667  0.333  0.386  1.0
  Ge  Ge10  1  0.333  0.667  0.886  1.0
  Ge  Ge11  1  0.333  0.667  0.614  1.0
[/CIF]
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The compound described by GdZnGe crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 12-coordinate geometry to six equivalent Zn(1) and six equivalent Ge(1) atoms. In the second Gd site, Gd(2) is bonded to six equivalent Ge(1) atoms to form distorted edge-sharing GdGe6 octahedra. Zn(1) is bonded in a 6-coordinate geometry to three equivalent Gd(1) and three equivalent Ge(1) atoms. Ge(1) is bonded in a 9-coordinate geometry to three equivalent Gd(1), three equivalent Gd(2), and three equivalent Zn(1) atoms. is represented by the CIF card [CIF]
data_GdZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.219
_cell_length_b   4.219
_cell_length_c   16.025
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   246.977
_cell_formula_units_Z   4
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
  Gd  Gd0  1  0.000  0.000  0.750  1.0
  Gd  Gd1  1  0.000  0.000  0.250  1.0
  Gd  Gd2  1  0.000  0.000  0.500  1.0
  Gd  Gd3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.667  0.333  0.853  1.0
  Zn  Zn5  1  0.667  0.333  0.647  1.0
  Zn  Zn6  1  0.333  0.667  0.147  1.0
  Zn  Zn7  1  0.333  0.667  0.353  1.0
  Ge  Ge8  1  0.667  0.333  0.114  1.0
  Ge  Ge9  1  0.667  0.333  0.386  1.0
  Ge  Ge10  1  0.333  0.667  0.886  1.0
  Ge  Ge11  1  0.333  0.667  0.614  1.0
[/CIF]
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