The compound described by Li7N2I crystallizes in the cubic Fd-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in an octahedral geometry to six equivalent Li(2) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), two equivalent N(1), and one I(1) atom. N(1) is bonded in a distorted body-centered cubic geometry to six equivalent Li(2) and two equivalent I(1) atoms. I(1) is bonded in a distorted q6 geometry to six equivalent Li(2) and four equivalent N(1) atoms. is represented by the CIF file [CIF]
data_Li7IN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.879
_cell_length_b   7.879
_cell_length_c   7.879
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   345.845
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.250  0.250  0.250  1.0
  Li  Li2  1  0.986  0.514  0.986  1.0
  Li  Li3  1  0.736  0.264  0.264  1.0
  Li  Li4  1  0.264  0.736  0.736  1.0
  Li  Li5  1  0.736  0.264  0.736  1.0
  Li  Li6  1  0.264  0.264  0.736  1.0
  Li  Li7  1  0.736  0.736  0.264  1.0
  Li  Li8  1  0.986  0.986  0.514  1.0
  Li  Li9  1  0.514  0.986  0.986  1.0
  Li  Li10  1  0.986  0.514  0.514  1.0
  Li  Li11  1  0.514  0.514  0.986  1.0
  Li  Li12  1  0.264  0.736  0.264  1.0
  Li  Li13  1  0.514  0.986  0.514  1.0
  I  I14  1  0.750  0.750  0.750  1.0
  I  I15  1  0.500  0.500  0.500  1.0
  N  N16  1  0.625  0.625  0.625  1.0
  N  N17  1  0.125  0.625  0.625  1.0
  N  N18  1  0.625  0.125  0.625  1.0
  N  N19  1  0.625  0.625  0.125  1.0
[/CIF]
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The compound described by Li7N2I crystallizes in the cubic Fd-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in an octahedral geometry to six equivalent Li(2) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Li(1), two equivalent N(1), and one I(1) atom. N(1) is bonded in a distorted body-centered cubic geometry to six equivalent Li(2) and two equivalent I(1) atoms. I(1) is bonded in a distorted q6 geometry to six equivalent Li(2) and four equivalent N(1) atoms. is represented by the CIF file [CIF]
data_Li7IN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.879
_cell_length_b   7.879
_cell_length_c   7.879
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   345.845
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Li  Li1  1  0.250  0.250  0.250  1.0
  Li  Li2  1  0.986  0.514  0.986  1.0
  Li  Li3  1  0.736  0.264  0.264  1.0
  Li  Li4  1  0.264  0.736  0.736  1.0
  Li  Li5  1  0.736  0.264  0.736  1.0
  Li  Li6  1  0.264  0.264  0.736  1.0
  Li  Li7  1  0.736  0.736  0.264  1.0
  Li  Li8  1  0.986  0.986  0.514  1.0
  Li  Li9  1  0.514  0.986  0.986  1.0
  Li  Li10  1  0.986  0.514  0.514  1.0
  Li  Li11  1  0.514  0.514  0.986  1.0
  Li  Li12  1  0.264  0.736  0.264  1.0
  Li  Li13  1  0.514  0.986  0.514  1.0
  I  I14  1  0.750  0.750  0.750  1.0
  I  I15  1  0.500  0.500  0.500  1.0
  N  N16  1  0.625  0.625  0.625  1.0
  N  N17  1  0.125  0.625  0.625  1.0
  N  N18  1  0.625  0.125  0.625  1.0
  N  N19  1  0.625  0.625  0.125  1.0
[/CIF]
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