The material structure described by PtGaZr crystallizes in the hexagonal P-62c space group. Zr(1) is bonded in a 11-coordinate geometry to one Pt(2), four equivalent Pt(1), and six equivalent Ga(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Ga(1) atoms. In the second Pt site, Pt(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Pt(1), and two equivalent Pt(2) atoms. is represented by the CIF file [CIF]
data_ZrGaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.163
_cell_length_b   7.163
_cell_length_c   7.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   315.921
_cell_formula_units_Z   6
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  0.386  0.408  0.750  1.0
  Zr  Zr1  1  0.022  0.614  0.750  1.0
  Zr  Zr2  1  0.592  0.978  0.750  1.0
  Zr  Zr3  1  0.614  0.022  0.250  1.0
  Zr  Zr4  1  0.978  0.592  0.250  1.0
  Zr  Zr5  1  0.408  0.386  0.250  1.0
  Ga  Ga6  1  0.267  1.000  0.000  1.0
  Ga  Ga7  1  0.733  0.733  0.000  1.0
  Ga  Ga8  1  1.000  0.267  0.000  1.0
  Ga  Ga9  1  0.733  0.733  0.500  1.0
  Ga  Ga10  1  0.267  1.000  0.500  1.0
  Ga  Ga11  1  1.000  0.267  0.500  1.0
  Pt  Pt12  1  0.667  0.333  0.969  1.0
  Pt  Pt13  1  0.000  0.000  0.750  1.0
  Pt  Pt14  1  0.667  0.333  0.531  1.0
  Pt  Pt15  1  0.333  0.667  0.469  1.0
  Pt  Pt16  1  0.333  0.667  0.031  1.0
  Pt  Pt17  1  0.000  0.000  0.250  1.0
[/CIF]
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The material structure described by PtGaZr crystallizes in the hexagonal P-62c space group. Zr(1) is bonded in a 11-coordinate geometry to one Pt(2), four equivalent Pt(1), and six equivalent Ga(1) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Ga(1) atoms. In the second Pt site, Pt(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Ga(1) atoms. Ga(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1), two equivalent Pt(1), and two equivalent Pt(2) atoms. is represented by the CIF file [CIF]
data_ZrGaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.163
_cell_length_b   7.163
_cell_length_c   7.109
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   315.921
_cell_formula_units_Z   6
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  0.386  0.408  0.750  1.0
  Zr  Zr1  1  0.022  0.614  0.750  1.0
  Zr  Zr2  1  0.592  0.978  0.750  1.0
  Zr  Zr3  1  0.614  0.022  0.250  1.0
  Zr  Zr4  1  0.978  0.592  0.250  1.0
  Zr  Zr5  1  0.408  0.386  0.250  1.0
  Ga  Ga6  1  0.267  1.000  0.000  1.0
  Ga  Ga7  1  0.733  0.733  0.000  1.0
  Ga  Ga8  1  1.000  0.267  0.000  1.0
  Ga  Ga9  1  0.733  0.733  0.500  1.0
  Ga  Ga10  1  0.267  1.000  0.500  1.0
  Ga  Ga11  1  1.000  0.267  0.500  1.0
  Pt  Pt12  1  0.667  0.333  0.969  1.0
  Pt  Pt13  1  0.000  0.000  0.750  1.0
  Pt  Pt14  1  0.667  0.333  0.531  1.0
  Pt  Pt15  1  0.333  0.667  0.469  1.0
  Pt  Pt16  1  0.333  0.667  0.031  1.0
  Pt  Pt17  1  0.000  0.000  0.250  1.0
[/CIF]
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