The material structure described by Pt6GaGe crystallizes in the tetragonal I-42m space group. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded to eight equivalent Pt(1), two equivalent Ga(1), and two equivalent Ge(1) atoms to form distorted PtGa2Ge2Pt8 cuboctahedra that share corners with twelve equivalent Pt(2)Ga2Ge2Pt8 cuboctahedra, edges with four equivalent Ga(1)Pt12 cuboctahedra, faces with two equivalent Ga(1)Pt12 cuboctahedra, and faces with six equivalent Pt(2)Ga2Ge2Pt8 cuboctahedra. In the second Pt site, Pt(1) is bonded in a distorted water-like geometry to four equivalent Pt(2), two equivalent Ga(1), and one Ge(1) atom. Ga(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form distorted GaPt12 cuboctahedra that share corners with twelve equivalent Ga(1)Pt12 cuboctahedra, edges with eight equivalent Pt(2)Ga2Ge2Pt8 cuboctahedra, and faces with four equivalent Pt(2)Ga2Ge2Pt8 cuboctahedra. Ge(1) is bonded in a 8-coordinate geometry to four equivalent Pt(1) and four equivalent Pt(2) atoms. is represented by the CIF card [CIF]
data_GaGePt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   5.572
_cell_length_c   5.572
_cell_angle_alpha   120.608
_cell_angle_beta   120.608
_cell_angle_gamma   88.951
_symmetry_Int_Tables_number   1
_cell_volume   121.203
_cell_formula_units_Z   1
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
  Ga  Ga0  1  0.000  0.000  0.000  1.0
  Ge  Ge1  1  0.500  0.500  0.000  1.0
  Pt  Pt2  1  0.943  0.943  0.396  1.0
  Pt  Pt3  1  0.548  0.548  0.604  1.0
  Pt  Pt4  1  0.057  0.452  0.000  1.0
  Pt  Pt5  1  0.452  0.057  0.000  1.0
  Pt  Pt6  1  0.500  0.000  0.500  1.0
  Pt  Pt7  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Pt6GaGe crystallizes in the tetragonal I-42m space group. There are two inequivalent Pt sites. In the first Pt site, Pt(2) is bonded to eight equivalent Pt(1), two equivalent Ga(1), and two equivalent Ge(1) atoms to form distorted PtGa2Ge2Pt8 cuboctahedra that share corners with twelve equivalent Pt(2)Ga2Ge2Pt8 cuboctahedra, edges with four equivalent Ga(1)Pt12 cuboctahedra, faces with two equivalent Ga(1)Pt12 cuboctahedra, and faces with six equivalent Pt(2)Ga2Ge2Pt8 cuboctahedra. In the second Pt site, Pt(1) is bonded in a distorted water-like geometry to four equivalent Pt(2), two equivalent Ga(1), and one Ge(1) atom. Ga(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form distorted GaPt12 cuboctahedra that share corners with twelve equivalent Ga(1)Pt12 cuboctahedra, edges with eight equivalent Pt(2)Ga2Ge2Pt8 cuboctahedra, and faces with four equivalent Pt(2)Ga2Ge2Pt8 cuboctahedra. Ge(1) is bonded in a 8-coordinate geometry to four equivalent Pt(1) and four equivalent Pt(2) atoms. is represented by the CIF card [CIF]
data_GaGePt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.572
_cell_length_b   5.572
_cell_length_c   5.572
_cell_angle_alpha   120.608
_cell_angle_beta   120.608
_cell_angle_gamma   88.951
_symmetry_Int_Tables_number   1
_cell_volume   121.203
_cell_formula_units_Z   1
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
  Ga  Ga0  1  0.000  0.000  0.000  1.0
  Ge  Ge1  1  0.500  0.500  0.000  1.0
  Pt  Pt2  1  0.943  0.943  0.396  1.0
  Pt  Pt3  1  0.548  0.548  0.604  1.0
  Pt  Pt4  1  0.057  0.452  0.000  1.0
  Pt  Pt5  1  0.452  0.057  0.000  1.0
  Pt  Pt6  1  0.500  0.000  0.500  1.0
  Pt  Pt7  1  0.000  0.500  0.500  1.0
[/CIF]
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