The material structure described by Li7N2I crystallizes in the monoclinic Cm space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted tetrahedral geometry to one N(1), one N(3), and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a bent 150 degrees geometry to one N(1) and one N(2) atom. In the third Li site, Li(3) is bonded in a bent 150 degrees geometry to one N(1) and one N(3) atom. In the fourth Li site, Li(4) is bonded in a bent 150 degrees geometry to two equivalent N(2) and one I(2) atom. In the fifth Li site, Li(5) is bonded in a bent 150 degrees geometry to one N(2), one N(3), and one I(2) atom. In the sixth Li site, Li(6) is bonded in a distorted bent 120 degrees geometry to one N(1), one N(2), and one I(1) atom. In the seventh Li site, Li(7) is bonded in a distorted bent 120 degrees geometry to one N(1), one N(3), and one I(1) atom. In the eighth Li site, Li(8) is bonded in a distorted bent 120 degrees geometry to two equivalent N(2), one I(1), and one I(2) atom. In the ninth Li site, Li(9) is bonded in a distorted bent 120 degrees geometry to one N(2), one N(3), one I(1), and one I(2) atom. In the tenth Li site, Li(10) is bonded in a 4-coordinate geometry to one N(3), two equivalent N(2), and one I(2) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Li(1), one Li(3), one Li(7), two equivalent Li(2), and two equivalent Li(6) atoms to form distorted NLi7 pentagonal bipyramids that share corners with three equivalent I(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the second N site, N(2) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(4), one Li(5), one Li(6), one Li(8), and one Li(9) atom. In the third N site, N(3) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(3), one Li(7), two equivalent Li(5), and two equivalent Li(9) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to one Li(7), one Li(8), two equivalent Li(6), and two equivalent Li(9) atoms to form ILi6 octahedra that share corners with three equivalent N(1)Li7 pentagonal bipyramids. In the second I site, I(2) is bonded in a 7-coordinate geometry to one Li(10), one Li(4), one Li(8), two equivalent Li(5), and two equivalent Li(9) atoms. is represented by the CIF file [CIF]
data_Li7IN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.301
_cell_length_b   7.301
_cell_length_c   7.275
_cell_angle_alpha   60.092
_cell_angle_beta   60.092
_cell_angle_gamma   59.848
_symmetry_Int_Tables_number   1
_cell_volume   274.257
_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  0.991  0.991  0.995  1.0
  Li  Li1  1  0.572  0.934  0.924  1.0
  Li  Li2  1  0.934  0.572  0.924  1.0
  Li  Li3  1  0.936  0.936  0.562  1.0
  Li  Li4  1  0.579  0.579  0.924  1.0
  Li  Li5  1  0.924  0.579  0.573  1.0
  Li  Li6  1  0.579  0.924  0.573  1.0
  Li  Li7  1  0.214  0.783  0.788  1.0
  Li  Li8  1  0.783  0.214  0.788  1.0
  Li  Li9  1  0.787  0.787  0.209  1.0
  Li  Li10  1  0.205  0.205  0.711  1.0
  Li  Li11  1  0.729  0.212  0.209  1.0
  Li  Li12  1  0.212  0.729  0.209  1.0
  Li  Li13  1  0.119  0.119  0.085  1.0
  I  I14  1  0.507  0.507  0.501  1.0
  I  I15  1  0.270  0.270  0.258  1.0
  N  N16  1  0.881  0.881  0.875  1.0
  N  N17  1  0.891  0.351  0.885  1.0
  N  N18  1  0.351  0.891  0.885  1.0
  N  N19  1  0.889  0.889  0.348  1.0
[/CIF]
.
The material structure described by Li7N2I crystallizes in the monoclinic Cm space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted tetrahedral geometry to one N(1), one N(3), and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a bent 150 degrees geometry to one N(1) and one N(2) atom. In the third Li site, Li(3) is bonded in a bent 150 degrees geometry to one N(1) and one N(3) atom. In the fourth Li site, Li(4) is bonded in a bent 150 degrees geometry to two equivalent N(2) and one I(2) atom. In the fifth Li site, Li(5) is bonded in a bent 150 degrees geometry to one N(2), one N(3), and one I(2) atom. In the sixth Li site, Li(6) is bonded in a distorted bent 120 degrees geometry to one N(1), one N(2), and one I(1) atom. In the seventh Li site, Li(7) is bonded in a distorted bent 120 degrees geometry to one N(1), one N(3), and one I(1) atom. In the eighth Li site, Li(8) is bonded in a distorted bent 120 degrees geometry to two equivalent N(2), one I(1), and one I(2) atom. In the ninth Li site, Li(9) is bonded in a distorted bent 120 degrees geometry to one N(2), one N(3), one I(1), and one I(2) atom. In the tenth Li site, Li(10) is bonded in a 4-coordinate geometry to one N(3), two equivalent N(2), and one I(2) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Li(1), one Li(3), one Li(7), two equivalent Li(2), and two equivalent Li(6) atoms to form distorted NLi7 pentagonal bipyramids that share corners with three equivalent I(1)Li6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. In the second N site, N(2) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(4), one Li(5), one Li(6), one Li(8), and one Li(9) atom. In the third N site, N(3) is bonded in a 8-coordinate geometry to one Li(1), one Li(10), one Li(3), one Li(7), two equivalent Li(5), and two equivalent Li(9) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to one Li(7), one Li(8), two equivalent Li(6), and two equivalent Li(9) atoms to form ILi6 octahedra that share corners with three equivalent N(1)Li7 pentagonal bipyramids. In the second I site, I(2) is bonded in a 7-coordinate geometry to one Li(10), one Li(4), one Li(8), two equivalent Li(5), and two equivalent Li(9) atoms. is represented by the CIF file [CIF]
data_Li7IN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.301
_cell_length_b   7.301
_cell_length_c   7.275
_cell_angle_alpha   60.092
_cell_angle_beta   60.092
_cell_angle_gamma   59.848
_symmetry_Int_Tables_number   1
_cell_volume   274.257
_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  0.991  0.991  0.995  1.0
  Li  Li1  1  0.572  0.934  0.924  1.0
  Li  Li2  1  0.934  0.572  0.924  1.0
  Li  Li3  1  0.936  0.936  0.562  1.0
  Li  Li4  1  0.579  0.579  0.924  1.0
  Li  Li5  1  0.924  0.579  0.573  1.0
  Li  Li6  1  0.579  0.924  0.573  1.0
  Li  Li7  1  0.214  0.783  0.788  1.0
  Li  Li8  1  0.783  0.214  0.788  1.0
  Li  Li9  1  0.787  0.787  0.209  1.0
  Li  Li10  1  0.205  0.205  0.711  1.0
  Li  Li11  1  0.729  0.212  0.209  1.0
  Li  Li12  1  0.212  0.729  0.209  1.0
  Li  Li13  1  0.119  0.119  0.085  1.0
  I  I14  1  0.507  0.507  0.501  1.0
  I  I15  1  0.270  0.270  0.258  1.0
  N  N16  1  0.881  0.881  0.875  1.0
  N  N17  1  0.891  0.351  0.885  1.0
  N  N18  1  0.351  0.891  0.885  1.0
  N  N19  1  0.889  0.889  0.348  1.0
[/CIF]
.