The crystal structure described by Li3AuN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one Au(1) and four equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to four equivalent Au(1) and two equivalent N(1) atoms. Au(1) is bonded in a 9-coordinate geometry to one Li(1) and eight equivalent Li(2) atoms. N(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent N(1) atoms. is represented by the CIF card [CIF]
data_Li3AuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.161
_cell_length_b   7.422
_cell_length_c   12.500
_cell_angle_alpha   90.000
_cell_angle_beta   139.981
_cell_angle_gamma   117.045
_symmetry_Int_Tables_number   1
_cell_volume   344.246
_cell_formula_units_Z   4
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
  Li  Li0  1  0.000  0.500  0.406  1.0
  Li  Li1  1  0.000  0.000  0.844  1.0
  Li  Li2  1  0.000  0.500  0.094  1.0
  Li  Li3  1  0.000  0.000  0.156  1.0
  Li  Li4  1  0.581  0.500  0.541  1.0
  Li  Li5  1  0.419  0.500  0.959  1.0
  Li  Li6  1  0.581  0.000  0.291  1.0
  Li  Li7  1  0.419  0.000  0.709  1.0
  Li  Li8  1  0.419  0.919  0.959  1.0
  Li  Li9  1  0.581  0.081  0.541  1.0
  Li  Li10  1  0.419  0.419  0.709  1.0
  Li  Li11  1  0.581  0.581  0.291  1.0
  Au  Au12  1  0.000  0.500  0.625  1.0
  Au  Au13  1  0.000  0.000  0.625  1.0
  Au  Au14  1  0.000  0.500  0.875  1.0
  Au  Au15  1  0.000  0.000  0.375  1.0
  N  N16  1  0.266  0.133  0.133  1.0
  N  N17  1  0.734  0.867  0.867  1.0
  N  N18  1  0.266  0.633  0.383  1.0
  N  N19  1  0.734  0.367  0.117  1.0
  N  N20  1  0.000  0.867  0.000  1.0
  N  N21  1  0.000  0.133  0.000  1.0
  N  N22  1  0.000  0.367  0.250  1.0
  N  N23  1  0.000  0.633  0.250  1.0
[/CIF]
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The crystal structure described by Li3AuN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one Au(1) and four equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to four equivalent Au(1) and two equivalent N(1) atoms. Au(1) is bonded in a 9-coordinate geometry to one Li(1) and eight equivalent Li(2) atoms. N(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent N(1) atoms. is represented by the CIF card [CIF]
data_Li3AuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.161
_cell_length_b   7.422
_cell_length_c   12.500
_cell_angle_alpha   90.000
_cell_angle_beta   139.981
_cell_angle_gamma   117.045
_symmetry_Int_Tables_number   1
_cell_volume   344.246
_cell_formula_units_Z   4
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
  Li  Li0  1  0.000  0.500  0.406  1.0
  Li  Li1  1  0.000  0.000  0.844  1.0
  Li  Li2  1  0.000  0.500  0.094  1.0
  Li  Li3  1  0.000  0.000  0.156  1.0
  Li  Li4  1  0.581  0.500  0.541  1.0
  Li  Li5  1  0.419  0.500  0.959  1.0
  Li  Li6  1  0.581  0.000  0.291  1.0
  Li  Li7  1  0.419  0.000  0.709  1.0
  Li  Li8  1  0.419  0.919  0.959  1.0
  Li  Li9  1  0.581  0.081  0.541  1.0
  Li  Li10  1  0.419  0.419  0.709  1.0
  Li  Li11  1  0.581  0.581  0.291  1.0
  Au  Au12  1  0.000  0.500  0.625  1.0
  Au  Au13  1  0.000  0.000  0.625  1.0
  Au  Au14  1  0.000  0.500  0.875  1.0
  Au  Au15  1  0.000  0.000  0.375  1.0
  N  N16  1  0.266  0.133  0.133  1.0
  N  N17  1  0.734  0.867  0.867  1.0
  N  N18  1  0.266  0.633  0.383  1.0
  N  N19  1  0.734  0.367  0.117  1.0
  N  N20  1  0.000  0.867  0.000  1.0
  N  N21  1  0.000  0.133  0.000  1.0
  N  N22  1  0.000  0.367  0.250  1.0
  N  N23  1  0.000  0.633  0.250  1.0
[/CIF]
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