The compound described by Au3P is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Au(1), four equivalent Au(2), and four equivalent P(1) atoms to form AuP4Au8 cuboctahedra that share corners with twelve equivalent Au(1)P4Au8 cuboctahedra, edges with eight equivalent Au(1)P4Au8 cuboctahedra, edges with eight equivalent Au(2)P4Au8 cuboctahedra, edges with eight equivalent P(1)Au12 cuboctahedra, faces with four equivalent Au(2)P4Au8 cuboctahedra, faces with four equivalent P(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)P4Au8 cuboctahedra. In the second Au site, Au(2) is bonded to eight equivalent Au(1) and four equivalent P(1) atoms to form distorted AuP4Au8 cuboctahedra that share corners with four equivalent Au(2)P4Au8 cuboctahedra, corners with eight equivalent P(1)Au12 cuboctahedra, edges with eight equivalent Au(2)P4Au8 cuboctahedra, edges with sixteen equivalent Au(1)P4Au8 cuboctahedra, faces with four equivalent Au(2)P4Au8 cuboctahedra, faces with six equivalent P(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)P4Au8 cuboctahedra. P(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form PAu12 cuboctahedra that share corners with four equivalent P(1)Au12 cuboctahedra, corners with eight equivalent Au(2)P4Au8 cuboctahedra, edges with eight equivalent P(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)P4Au8 cuboctahedra, faces with four equivalent P(1)Au12 cuboctahedra, faces with six equivalent Au(2)P4Au8 cuboctahedra, and faces with eight equivalent Au(1)P4Au8 cuboctahedra. is represented by the CIF card [CIF]
data_PAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.137
_cell_length_c   5.137
_cell_angle_alpha   133.280
_cell_angle_beta   133.280
_cell_angle_gamma   68.214
_symmetry_Int_Tables_number   1
_cell_volume   70.594
_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
  P  P0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.750  0.250  0.500  1.0
  Au  Au2  1  0.250  0.750  0.500  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Au3P is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to four equivalent Au(1), four equivalent Au(2), and four equivalent P(1) atoms to form AuP4Au8 cuboctahedra that share corners with twelve equivalent Au(1)P4Au8 cuboctahedra, edges with eight equivalent Au(1)P4Au8 cuboctahedra, edges with eight equivalent Au(2)P4Au8 cuboctahedra, edges with eight equivalent P(1)Au12 cuboctahedra, faces with four equivalent Au(2)P4Au8 cuboctahedra, faces with four equivalent P(1)Au12 cuboctahedra, and faces with ten equivalent Au(1)P4Au8 cuboctahedra. In the second Au site, Au(2) is bonded to eight equivalent Au(1) and four equivalent P(1) atoms to form distorted AuP4Au8 cuboctahedra that share corners with four equivalent Au(2)P4Au8 cuboctahedra, corners with eight equivalent P(1)Au12 cuboctahedra, edges with eight equivalent Au(2)P4Au8 cuboctahedra, edges with sixteen equivalent Au(1)P4Au8 cuboctahedra, faces with four equivalent Au(2)P4Au8 cuboctahedra, faces with six equivalent P(1)Au12 cuboctahedra, and faces with eight equivalent Au(1)P4Au8 cuboctahedra. P(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form PAu12 cuboctahedra that share corners with four equivalent P(1)Au12 cuboctahedra, corners with eight equivalent Au(2)P4Au8 cuboctahedra, edges with eight equivalent P(1)Au12 cuboctahedra, edges with sixteen equivalent Au(1)P4Au8 cuboctahedra, faces with four equivalent P(1)Au12 cuboctahedra, faces with six equivalent Au(2)P4Au8 cuboctahedra, and faces with eight equivalent Au(1)P4Au8 cuboctahedra. is represented by the CIF card [CIF]
data_PAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.137
_cell_length_b   5.137
_cell_length_c   5.137
_cell_angle_alpha   133.280
_cell_angle_beta   133.280
_cell_angle_gamma   68.214
_symmetry_Int_Tables_number   1
_cell_volume   70.594
_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
  P  P0  1  0.000  0.000  0.000  1.0
  Au  Au1  1  0.750  0.250  0.500  1.0
  Au  Au2  1  0.250  0.750  0.500  1.0
  Au  Au3  1  0.500  0.500  0.000  1.0
[/CIF]
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