The material structure described by ZrAuGa crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Au(1) and six equivalent Ga(1) atoms. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Ga(1) atoms. Au(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Au(1), and three equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), three equivalent Au(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_ZrGaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.342
_cell_length_b   4.342
_cell_length_c   6.807
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   111.151
_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
  Zr  Zr0  1  0.000  0.000  0.500  1.0
  Zr  Zr1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.667  0.333  0.212  1.0
  Ga  Ga3  1  0.667  0.333  0.788  1.0
  Au  Au4  1  0.333  0.667  0.711  1.0
  Au  Au5  1  0.333  0.667  0.289  1.0
[/CIF]
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The material structure described by ZrAuGa crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to six equivalent Au(1) and six equivalent Ga(1) atoms. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to six equivalent Au(1) and six equivalent Ga(1) atoms. Au(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Au(1), and three equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), three equivalent Au(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_ZrGaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.342
_cell_length_b   4.342
_cell_length_c   6.807
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   111.151
_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
  Zr  Zr0  1  0.000  0.000  0.500  1.0
  Zr  Zr1  1  0.000  0.000  0.000  1.0
  Ga  Ga2  1  0.667  0.333  0.212  1.0
  Ga  Ga3  1  0.667  0.333  0.788  1.0
  Au  Au4  1  0.333  0.667  0.711  1.0
  Au  Au5  1  0.333  0.667  0.289  1.0
[/CIF]
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