The structure described by Ca3Au4 crystallizes in the trigonal R-3 space group. Ca(1) is bonded in a 9-coordinate geometry to one Au(2), one Au(3), and seven equivalent Au(1) atoms. There are three inequivalent Au sites. In the first Au site, Au(2) is bonded to six equivalent Ca(1) atoms to form distorted face-sharing AuCa6 octahedra. In the second Au site, Au(1) is bonded in a 10-coordinate geometry to seven equivalent Ca(1) and three equivalent Au(1) atoms. In the third Au site, Au(3) is bonded to six equivalent Ca(1) atoms to form distorted face-sharing AuCa6 octahedra. is represented by the CIF file [CIF]
data_Ca3Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.175
_cell_length_b   8.175
_cell_length_c   8.175
_cell_angle_alpha   114.229
_cell_angle_beta   114.229
_cell_angle_gamma   114.229
_symmetry_Int_Tables_number   1
_cell_volume   326.168
_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
  Ca  Ca0  1  0.600  0.971  0.717  1.0
  Ca  Ca1  1  0.971  0.717  0.600  1.0
  Ca  Ca2  1  0.717  0.600  0.971  1.0
  Ca  Ca3  1  0.400  0.029  0.283  1.0
  Ca  Ca4  1  0.029  0.283  0.400  1.0
  Ca  Ca5  1  0.283  0.400  0.029  1.0
  Au  Au6  1  0.945  0.443  0.779  1.0
  Au  Au7  1  0.779  0.945  0.443  1.0
  Au  Au8  1  0.443  0.779  0.945  1.0
  Au  Au9  1  0.221  0.055  0.557  1.0
  Au  Au10  1  0.055  0.557  0.221  1.0
  Au  Au11  1  0.557  0.221  0.055  1.0
  Au  Au12  1  0.500  0.500  0.500  1.0
  Au  Au13  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Ca3Au4 crystallizes in the trigonal R-3 space group. Ca(1) is bonded in a 9-coordinate geometry to one Au(2), one Au(3), and seven equivalent Au(1) atoms. There are three inequivalent Au sites. In the first Au site, Au(2) is bonded to six equivalent Ca(1) atoms to form distorted face-sharing AuCa6 octahedra. In the second Au site, Au(1) is bonded in a 10-coordinate geometry to seven equivalent Ca(1) and three equivalent Au(1) atoms. In the third Au site, Au(3) is bonded to six equivalent Ca(1) atoms to form distorted face-sharing AuCa6 octahedra. is represented by the CIF file [CIF]
data_Ca3Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.175
_cell_length_b   8.175
_cell_length_c   8.175
_cell_angle_alpha   114.229
_cell_angle_beta   114.229
_cell_angle_gamma   114.229
_symmetry_Int_Tables_number   1
_cell_volume   326.168
_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
  Ca  Ca0  1  0.600  0.971  0.717  1.0
  Ca  Ca1  1  0.971  0.717  0.600  1.0
  Ca  Ca2  1  0.717  0.600  0.971  1.0
  Ca  Ca3  1  0.400  0.029  0.283  1.0
  Ca  Ca4  1  0.029  0.283  0.400  1.0
  Ca  Ca5  1  0.283  0.400  0.029  1.0
  Au  Au6  1  0.945  0.443  0.779  1.0
  Au  Au7  1  0.779  0.945  0.443  1.0
  Au  Au8  1  0.443  0.779  0.945  1.0
  Au  Au9  1  0.221  0.055  0.557  1.0
  Au  Au10  1  0.055  0.557  0.221  1.0
  Au  Au11  1  0.557  0.221  0.055  1.0
  Au  Au12  1  0.500  0.500  0.500  1.0
  Au  Au13  1  0.000  0.000  0.000  1.0
[/CIF]
.