The crystal structure described by Li3CuN2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. Cu(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Li(2), four equivalent Li(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NLi6Cu pentagonal bipyramids. In the second N site, N(2) is bonded in a distorted body-centered cubic geometry to two equivalent Li(2), four equivalent Li(1), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Li3CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   7.337
_cell_length_c   6.605
_cell_angle_alpha   90.000
_cell_angle_beta   123.462
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.330
_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  0.258  0.998  0.912  1.0
  Li  Li1  1  0.742  0.498  0.588  1.0
  Li  Li2  1  0.742  0.002  0.088  1.0
  Li  Li3  1  0.258  0.502  0.412  1.0
  Li  Li4  1  0.258  0.502  0.845  1.0
  Li  Li5  1  0.742  0.002  0.655  1.0
  Li  Li6  1  0.742  0.498  0.155  1.0
  Li  Li7  1  0.258  0.998  0.345  1.0
  Li  Li8  1  0.658  0.281  0.829  1.0
  Li  Li9  1  0.342  0.781  0.671  1.0
  Li  Li10  1  0.342  0.719  0.171  1.0
  Li  Li11  1  0.658  0.219  0.329  1.0
  Cu  Cu12  1  0.146  0.197  0.573  1.0
  Cu  Cu13  1  0.854  0.697  0.927  1.0
  Cu  Cu14  1  0.854  0.803  0.427  1.0
  Cu  Cu15  1  0.146  0.303  0.073  1.0
  N  N16  1  0.451  0.046  0.725  1.0
  N  N17  1  0.549  0.546  0.775  1.0
  N  N18  1  0.549  0.954  0.275  1.0
  N  N19  1  0.451  0.454  0.225  1.0
  N  N20  1  0.993  0.250  0.746  1.0
  N  N21  1  0.007  0.750  0.754  1.0
  N  N22  1  0.007  0.750  0.254  1.0
  N  N23  1  0.993  0.250  0.246  1.0
[/CIF]
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The crystal structure described by Li3CuN2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. Cu(1) is bonded in a distorted trigonal planar geometry to one N(1) and two equivalent N(2) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Li(2), four equivalent Li(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NLi6Cu pentagonal bipyramids. In the second N site, N(2) is bonded in a distorted body-centered cubic geometry to two equivalent Li(2), four equivalent Li(1), and two equivalent Cu(1) atoms. is represented by the CIF card [CIF]
data_Li3CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.994
_cell_length_b   7.337
_cell_length_c   6.605
_cell_angle_alpha   90.000
_cell_angle_beta   123.462
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   242.330
_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  0.258  0.998  0.912  1.0
  Li  Li1  1  0.742  0.498  0.588  1.0
  Li  Li2  1  0.742  0.002  0.088  1.0
  Li  Li3  1  0.258  0.502  0.412  1.0
  Li  Li4  1  0.258  0.502  0.845  1.0
  Li  Li5  1  0.742  0.002  0.655  1.0
  Li  Li6  1  0.742  0.498  0.155  1.0
  Li  Li7  1  0.258  0.998  0.345  1.0
  Li  Li8  1  0.658  0.281  0.829  1.0
  Li  Li9  1  0.342  0.781  0.671  1.0
  Li  Li10  1  0.342  0.719  0.171  1.0
  Li  Li11  1  0.658  0.219  0.329  1.0
  Cu  Cu12  1  0.146  0.197  0.573  1.0
  Cu  Cu13  1  0.854  0.697  0.927  1.0
  Cu  Cu14  1  0.854  0.803  0.427  1.0
  Cu  Cu15  1  0.146  0.303  0.073  1.0
  N  N16  1  0.451  0.046  0.725  1.0
  N  N17  1  0.549  0.546  0.775  1.0
  N  N18  1  0.549  0.954  0.275  1.0
  N  N19  1  0.451  0.454  0.225  1.0
  N  N20  1  0.993  0.250  0.746  1.0
  N  N21  1  0.007  0.750  0.754  1.0
  N  N22  1  0.007  0.750  0.254  1.0
  N  N23  1  0.993  0.250  0.246  1.0
[/CIF]
.