The structure described by CaAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded in a distorted body-centered cubic geometry to six equivalent Au(2) and eight equivalent Au(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Ca(1) and four equivalent Au(2) atoms to form a mixture of distorted corner, face, and edge-sharing AuCa4Au4 tetrahedra. In the second Au site, Au(2) is bonded in a 14-coordinate geometry to six equivalent Ca(1) and eight equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_CaAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.853
_cell_length_b   4.853
_cell_length_c   4.853
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   80.837
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.250  0.250  0.250  1.0
  Au  Au2  1  0.750  0.750  0.750  1.0
  Au  Au3  1  0.500  0.500  0.500  1.0
[/CIF]
.
The structure described by CaAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Ca(1) is bonded in a distorted body-centered cubic geometry to six equivalent Au(2) and eight equivalent Au(1) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Ca(1) and four equivalent Au(2) atoms to form a mixture of distorted corner, face, and edge-sharing AuCa4Au4 tetrahedra. In the second Au site, Au(2) is bonded in a 14-coordinate geometry to six equivalent Ca(1) and eight equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_CaAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.853
_cell_length_b   4.853
_cell_length_c   4.853
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   80.837
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.250  0.250  0.250  1.0
  Au  Au2  1  0.750  0.750  0.750  1.0
  Au  Au3  1  0.500  0.500  0.500  1.0
[/CIF]
.