The material described by LiZnGe crystallizes in the trigonal P3m1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 12-coordinate geometry to three equivalent Zn(1), three equivalent Zn(3), three equivalent Ge(1), and three equivalent Ge(2) atoms. In the second Li site, Li(2) is bonded in a 12-coordinate geometry to three equivalent Zn(2), three equivalent Zn(3), three equivalent Ge(1), and three equivalent Ge(3) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent Ge(2) and three equivalent Ge(3) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Ge(1), and three equivalent Ge(2) atoms. In the second Zn site, Zn(2) is bonded in a 7-coordinate geometry to three equivalent Li(2), one Ge(1), and three equivalent Ge(3) atoms. In the third Zn site, Zn(3) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and three equivalent Ge(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), three equivalent Li(2), one Zn(1), one Zn(2), and three equivalent Zn(3) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Li(3), three equivalent Zn(1), and one Ge(3) atom. In the third Ge site, Ge(3) is bonded in a 10-coordinate geometry to three equivalent Li(2), three equivalent Li(3), three equivalent Zn(2), and one Ge(2) atom. is represented by the CIF file [CIF]
data_LiZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.288
_cell_length_b   4.288
_cell_length_c   9.441
_cell_angle_alpha   90.001
_cell_angle_beta   89.999
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   150.317
_cell_formula_units_Z   3
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
  Li  Li0  1  0.667  0.333  0.168  1.0
  Li  Li1  1  0.667  0.333  0.833  1.0
  Li  Li2  1  0.667  0.333  0.500  1.0
  Zn  Zn3  1  1.000  0.000  0.294  1.0
  Zn  Zn4  1  1.000  0.000  0.706  1.0
  Zn  Zn5  1  0.333  0.667  0.019  1.0
  Ge  Ge6  1  1.000  0.000  0.999  1.0
  Ge  Ge7  1  0.333  0.667  0.365  1.0
  Ge  Ge8  1  0.333  0.667  0.636  1.0
[/CIF]
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The material described by LiZnGe crystallizes in the trigonal P3m1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 12-coordinate geometry to three equivalent Zn(1), three equivalent Zn(3), three equivalent Ge(1), and three equivalent Ge(2) atoms. In the second Li site, Li(2) is bonded in a 12-coordinate geometry to three equivalent Zn(2), three equivalent Zn(3), three equivalent Ge(1), and three equivalent Ge(3) atoms. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to three equivalent Ge(2) and three equivalent Ge(3) atoms. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Ge(1), and three equivalent Ge(2) atoms. In the second Zn site, Zn(2) is bonded in a 7-coordinate geometry to three equivalent Li(2), one Ge(1), and three equivalent Ge(3) atoms. In the third Zn site, Zn(3) is bonded in a 9-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and three equivalent Ge(1) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), three equivalent Li(2), one Zn(1), one Zn(2), and three equivalent Zn(3) atoms. In the second Ge site, Ge(2) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Li(3), three equivalent Zn(1), and one Ge(3) atom. In the third Ge site, Ge(3) is bonded in a 10-coordinate geometry to three equivalent Li(2), three equivalent Li(3), three equivalent Zn(2), and one Ge(2) atom. is represented by the CIF file [CIF]
data_LiZnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.288
_cell_length_b   4.288
_cell_length_c   9.441
_cell_angle_alpha   90.001
_cell_angle_beta   89.999
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   150.317
_cell_formula_units_Z   3
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
  Li  Li0  1  0.667  0.333  0.168  1.0
  Li  Li1  1  0.667  0.333  0.833  1.0
  Li  Li2  1  0.667  0.333  0.500  1.0
  Zn  Zn3  1  1.000  0.000  0.294  1.0
  Zn  Zn4  1  1.000  0.000  0.706  1.0
  Zn  Zn5  1  0.333  0.667  0.019  1.0
  Ge  Ge6  1  1.000  0.000  0.999  1.0
  Ge  Ge7  1  0.333  0.667  0.365  1.0
  Ge  Ge8  1  0.333  0.667  0.636  1.0
[/CIF]
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