The structure described by Li7Sr2CuN4 crystallizes in the orthorhombic Imm2 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one N(4) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one N(3) and two equivalent N(1) atoms. In the third Li site, Li(3) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(4) atoms. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(3) atoms. In the fifth Li site, Li(5) is bonded in a linear geometry to two equivalent N(1) atoms. In the sixth Li site, Li(6) is bonded in a linear geometry to two equivalent N(4) atoms. In the seventh Li site, Li(7) is bonded in a linear geometry to two equivalent N(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(4) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. Cu(1) is bonded in a linear geometry to two equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(5), and two equivalent Sr(1) atoms to form a mixture of distorted edge and corner-sharing NSr2Li5 pentagonal bipyramids. In the second N site, N(2) is bonded to one Li(3), two equivalent Li(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form distorted NSr2Li3Cu2 pentagonal bipyramids that share corners with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, corners with four equivalent N(3)Sr2Li5 pentagonal bipyramids, edges with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, and edges with two equivalent N(4)Sr2Li5 pentagonal bipyramids. In the third N site, N(3) is bonded to one Li(2), two equivalent Li(4), two equivalent Li(7), and two equivalent Sr(2) atoms to form distorted NSr2Li5 pentagonal bipyramids that share corners with two equivalent N(3)Sr2Li5 pentagonal bipyramids, corners with four equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, edges with two equivalent N(1)Sr2Li5 pentagonal bipyramids, and edges with two equivalent N(3)Sr2Li5 pentagonal bipyramids. In the fourth N site, N(4) is bonded to one Li(1), two equivalent Li(3), two equivalent Li(6), and two equivalent Sr(1) atoms to form distorted NSr2Li5 pentagonal bipyramids that share corners with two equivalent N(4)Sr2Li5 pentagonal bipyramids, corners with four equivalent N(1)Sr2Li5 pentagonal bipyramids, edges with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, and edges with two equivalent N(4)Sr2Li5 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Sr2Li7CuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.908
_cell_length_b   13.908
_cell_length_c   13.908
_cell_angle_alpha   164.528
_cell_angle_beta   164.064
_cell_angle_gamma   22.282
_symmetry_Int_Tables_number   1
_cell_volume   196.994
_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
  Sr  Sr0  1  0.125  0.125  0.000  1.0
  Sr  Sr1  1  0.374  0.874  0.500  1.0
  Li  Li2  1  0.480  0.980  0.500  1.0
  Li  Li3  1  0.228  0.228  0.000  1.0
  Li  Li4  1  0.023  0.023  0.000  1.0
  Li  Li5  1  0.271  0.771  0.500  1.0
  Li  Li6  1  0.696  0.696  0.000  1.0
  Li  Li7  1  0.553  0.553  0.000  1.0
  Li  Li8  1  0.803  0.303  0.500  1.0
  Cu  Cu9  1  0.945  0.445  0.500  1.0
  N  N10  1  0.193  0.693  0.500  1.0
  N  N11  1  0.943  0.943  0.000  1.0
  N  N12  1  0.307  0.307  0.000  1.0
  N  N13  1  0.558  0.058  0.500  1.0
[/CIF]
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The structure described by Li7Sr2CuN4 crystallizes in the orthorhombic Imm2 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one N(4) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one N(3) and two equivalent N(1) atoms. In the third Li site, Li(3) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(4) atoms. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(3) atoms. In the fifth Li site, Li(5) is bonded in a linear geometry to two equivalent N(1) atoms. In the sixth Li site, Li(6) is bonded in a linear geometry to two equivalent N(4) atoms. In the seventh Li site, Li(7) is bonded in a linear geometry to two equivalent N(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(4) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. Cu(1) is bonded in a linear geometry to two equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(5), and two equivalent Sr(1) atoms to form a mixture of distorted edge and corner-sharing NSr2Li5 pentagonal bipyramids. In the second N site, N(2) is bonded to one Li(3), two equivalent Li(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form distorted NSr2Li3Cu2 pentagonal bipyramids that share corners with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, corners with four equivalent N(3)Sr2Li5 pentagonal bipyramids, edges with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, and edges with two equivalent N(4)Sr2Li5 pentagonal bipyramids. In the third N site, N(3) is bonded to one Li(2), two equivalent Li(4), two equivalent Li(7), and two equivalent Sr(2) atoms to form distorted NSr2Li5 pentagonal bipyramids that share corners with two equivalent N(3)Sr2Li5 pentagonal bipyramids, corners with four equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, edges with two equivalent N(1)Sr2Li5 pentagonal bipyramids, and edges with two equivalent N(3)Sr2Li5 pentagonal bipyramids. In the fourth N site, N(4) is bonded to one Li(1), two equivalent Li(3), two equivalent Li(6), and two equivalent Sr(1) atoms to form distorted NSr2Li5 pentagonal bipyramids that share corners with two equivalent N(4)Sr2Li5 pentagonal bipyramids, corners with four equivalent N(1)Sr2Li5 pentagonal bipyramids, edges with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, and edges with two equivalent N(4)Sr2Li5 pentagonal bipyramids. is represented by the CIF card [CIF]
data_Sr2Li7CuN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.908
_cell_length_b   13.908
_cell_length_c   13.908
_cell_angle_alpha   164.528
_cell_angle_beta   164.064
_cell_angle_gamma   22.282
_symmetry_Int_Tables_number   1
_cell_volume   196.994
_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
  Sr  Sr0  1  0.125  0.125  0.000  1.0
  Sr  Sr1  1  0.374  0.874  0.500  1.0
  Li  Li2  1  0.480  0.980  0.500  1.0
  Li  Li3  1  0.228  0.228  0.000  1.0
  Li  Li4  1  0.023  0.023  0.000  1.0
  Li  Li5  1  0.271  0.771  0.500  1.0
  Li  Li6  1  0.696  0.696  0.000  1.0
  Li  Li7  1  0.553  0.553  0.000  1.0
  Li  Li8  1  0.803  0.303  0.500  1.0
  Cu  Cu9  1  0.945  0.445  0.500  1.0
  N  N10  1  0.193  0.693  0.500  1.0
  N  N11  1  0.943  0.943  0.000  1.0
  N  N12  1  0.307  0.307  0.000  1.0
  N  N13  1  0.558  0.058  0.500  1.0
[/CIF]
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