The material described by Au2Nb3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 10-coordinate geometry to eight equivalent Nb(2) and two equivalent Au(1) atoms. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to four equivalent Nb(1) and five equivalent Au(1) atoms. Au(1) is bonded in a 10-coordinate geometry to one Nb(1), five equivalent Nb(2), and four equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_Nb3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.416
_cell_length_b   3.416
_cell_length_c   8.031
_cell_angle_alpha   102.255
_cell_angle_beta   102.255
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   89.375
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.399  0.399  0.799  1.0
  Nb  Nb2  1  0.601  0.601  0.201  1.0
  Au  Au3  1  0.200  0.200  0.400  1.0
  Au  Au4  1  0.800  0.800  0.600  1.0
[/CIF]
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The material described by Au2Nb3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 10-coordinate geometry to eight equivalent Nb(2) and two equivalent Au(1) atoms. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to four equivalent Nb(1) and five equivalent Au(1) atoms. Au(1) is bonded in a 10-coordinate geometry to one Nb(1), five equivalent Nb(2), and four equivalent Au(1) atoms. is represented by the CIF file [CIF]
data_Nb3Au2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.416
_cell_length_b   3.416
_cell_length_c   8.031
_cell_angle_alpha   102.255
_cell_angle_beta   102.255
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   89.375
_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
  Nb  Nb0  1  0.000  0.000  0.000  1.0
  Nb  Nb1  1  0.399  0.399  0.799  1.0
  Nb  Nb2  1  0.601  0.601  0.201  1.0
  Au  Au3  1  0.200  0.200  0.400  1.0
  Au  Au4  1  0.800  0.800  0.600  1.0
[/CIF]
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