The compound described by Li7Cu2N3 crystallizes in the trigonal R-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a linear geometry to two equivalent N(1) atoms. Cu(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Li(2), six equivalent Li(1), and one Cu(1) atom to form NLi7Cu hexagonal bipyramids that share  a cornercorner with one N(2)Li6Cu2 hexagonal bipyramid,  a cornercorner with one N(1)Li7Cu hexagonal bipyramid, edges with three equivalent N(2)Li6Cu2 hexagonal bipyramids, and edges with three equivalent N(1)Li7Cu hexagonal bipyramids. In the second N site, N(2) is bonded to six equivalent Li(1) and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing NLi6Cu2 hexagonal bipyramids. is represented by the CIF card [CIF]
data_Li7Cu2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   5.197
_cell_length_c   5.197
_cell_angle_alpha   74.985
_cell_angle_beta   74.985
_cell_angle_gamma   74.985
_symmetry_Int_Tables_number   1
_cell_volume   128.149
_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
  Li  Li0  1  0.500  0.834  0.166  1.0
  Li  Li1  1  0.166  0.500  0.834  1.0
  Li  Li2  1  0.834  0.166  0.500  1.0
  Li  Li3  1  0.500  0.166  0.834  1.0
  Li  Li4  1  0.166  0.834  0.500  1.0
  Li  Li5  1  0.834  0.500  0.166  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.666  0.666  0.666  1.0
  Cu  Cu8  1  0.334  0.334  0.334  1.0
  N  N9  1  0.168  0.168  0.168  1.0
  N  N10  1  0.832  0.832  0.832  1.0
  N  N11  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by Li7Cu2N3 crystallizes in the trigonal R-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a linear geometry to two equivalent N(1) atoms. Cu(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Li(2), six equivalent Li(1), and one Cu(1) atom to form NLi7Cu hexagonal bipyramids that share  a cornercorner with one N(2)Li6Cu2 hexagonal bipyramid,  a cornercorner with one N(1)Li7Cu hexagonal bipyramid, edges with three equivalent N(2)Li6Cu2 hexagonal bipyramids, and edges with three equivalent N(1)Li7Cu hexagonal bipyramids. In the second N site, N(2) is bonded to six equivalent Li(1) and two equivalent Cu(1) atoms to form a mixture of corner and edge-sharing NLi6Cu2 hexagonal bipyramids. is represented by the CIF card [CIF]
data_Li7Cu2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.197
_cell_length_b   5.197
_cell_length_c   5.197
_cell_angle_alpha   74.985
_cell_angle_beta   74.985
_cell_angle_gamma   74.985
_symmetry_Int_Tables_number   1
_cell_volume   128.149
_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
  Li  Li0  1  0.500  0.834  0.166  1.0
  Li  Li1  1  0.166  0.500  0.834  1.0
  Li  Li2  1  0.834  0.166  0.500  1.0
  Li  Li3  1  0.500  0.166  0.834  1.0
  Li  Li4  1  0.166  0.834  0.500  1.0
  Li  Li5  1  0.834  0.500  0.166  1.0
  Li  Li6  1  0.000  0.000  0.000  1.0
  Cu  Cu7  1  0.666  0.666  0.666  1.0
  Cu  Cu8  1  0.334  0.334  0.334  1.0
  N  N9  1  0.168  0.168  0.168  1.0
  N  N10  1  0.832  0.832  0.832  1.0
  N  N11  1  0.500  0.500  0.500  1.0
[/CIF]
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