The material described by Li3Sr2NbN4 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent Sr(1)N6 octahedra, corners with four equivalent Sr(2)N6 octahedra, corners with two equivalent Li(1)N4 tetrahedra, corners with two equivalent Nb(1)N4 tetrahedra,  an edgeedge with one Sr(2)N6 octahedra, edges with two equivalent Sr(1)N6 octahedra,  an edgeedge with one Li(1)N4 tetrahedra, and  an edgeedge with one Nb(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-58°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one N(2), one N(3), and two equivalent N(1) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), one N(3), and four equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with four equivalent Sr(1)N6 octahedra, corners with four equivalent Li(1)N4 tetrahedra, corners with four equivalent Nb(1)N4 tetrahedra, edges with four equivalent Sr(2)N6 octahedra,  an edgeedge with one Nb(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. In the second Sr site, Sr(2) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form distorted SrN6 octahedra that share corners with two equivalent Nb(1)N4 tetrahedra, corners with eight equivalent Li(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, edges with four equivalent Sr(1)N6 octahedra, edges with two equivalent Li(1)N4 tetrahedra, and edges with two equivalent Nb(1)N4 tetrahedra. Nb(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form NbN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with four equivalent Sr(1)N6 octahedra, corners with four equivalent Li(1)N4 tetrahedra,  an edgeedge with one Sr(1)N6 octahedra, edges with two equivalent Sr(2)N6 octahedra, and edges with two equivalent Li(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-82°. There are three inequivalent N sites. In the first N site, N(2) is bonded in a 7-coordinate geometry to one Li(2), two equivalent Li(1), one Sr(1), two equivalent Sr(2), and one Nb(1) atom. In the second N site, N(3) is bonded in a 7-coordinate geometry to one Li(2), two equivalent Li(1), one Sr(1), two equivalent Sr(2), and one Nb(1) atom. In the third N site, N(1) is bonded in a 7-coordinate geometry to one Li(2), two equivalent Li(1), one Sr(2), two equivalent Sr(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_Sr2Li3NbN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.056
_cell_length_b   8.748
_cell_length_c   9.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.696
_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
  Sr  Sr0  1  0.000  0.243  0.754  1.0
  Sr  Sr1  1  0.000  0.757  0.246  1.0
  Sr  Sr2  1  0.500  0.743  0.746  1.0
  Sr  Sr3  1  0.500  0.257  0.254  1.0
  Sr  Sr4  1  0.259  0.000  0.000  1.0
  Sr  Sr5  1  0.241  0.500  0.500  1.0
  Sr  Sr6  1  0.741  0.000  0.000  1.0
  Sr  Sr7  1  0.759  0.500  0.500  1.0
  Li  Li8  1  0.237  0.018  0.365  1.0
  Li  Li9  1  0.237  0.982  0.635  1.0
  Li  Li10  1  0.263  0.518  0.135  1.0
  Li  Li11  1  0.263  0.482  0.865  1.0
  Li  Li12  1  0.763  0.982  0.635  1.0
  Li  Li13  1  0.763  0.018  0.365  1.0
  Li  Li14  1  0.737  0.482  0.865  1.0
  Li  Li15  1  0.737  0.518  0.135  1.0
  Li  Li16  1  0.000  0.205  0.422  1.0
  Li  Li17  1  0.000  0.795  0.578  1.0
  Li  Li18  1  0.500  0.705  0.078  1.0
  Li  Li19  1  0.500  0.295  0.922  1.0
  Nb  Nb20  1  0.000  0.286  0.138  1.0
  Nb  Nb21  1  0.000  0.714  0.862  1.0
  Nb  Nb22  1  0.500  0.786  0.362  1.0
  Nb  Nb23  1  0.500  0.214  0.638  1.0
  N  N24  1  0.235  0.302  0.019  1.0
  N  N25  1  0.235  0.698  0.981  1.0
  N  N26  1  0.265  0.802  0.481  1.0
  N  N27  1  0.265  0.198  0.519  1.0
  N  N28  1  0.765  0.698  0.981  1.0
  N  N29  1  0.765  0.302  0.019  1.0
  N  N30  1  0.735  0.198  0.519  1.0
  N  N31  1  0.735  0.802  0.481  1.0
  N  N32  1  0.000  0.072  0.221  1.0
  N  N33  1  0.000  0.928  0.779  1.0
  N  N34  1  0.500  0.572  0.279  1.0
  N  N35  1  0.500  0.428  0.721  1.0
  N  N36  1  0.000  0.453  0.284  1.0
  N  N37  1  0.000  0.547  0.716  1.0
  N  N38  1  0.500  0.953  0.216  1.0
  N  N39  1  0.500  0.047  0.784  1.0
[/CIF]
.
The material described by Li3Sr2NbN4 crystallizes in the orthorhombic Pnnm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form distorted LiN4 tetrahedra that share corners with two equivalent Sr(1)N6 octahedra, corners with four equivalent Sr(2)N6 octahedra, corners with two equivalent Li(1)N4 tetrahedra, corners with two equivalent Nb(1)N4 tetrahedra,  an edgeedge with one Sr(2)N6 octahedra, edges with two equivalent Sr(1)N6 octahedra,  an edgeedge with one Li(1)N4 tetrahedra, and  an edgeedge with one Nb(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-58°. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one N(2), one N(3), and two equivalent N(1) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), one N(3), and four equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with four equivalent Sr(1)N6 octahedra, corners with four equivalent Li(1)N4 tetrahedra, corners with four equivalent Nb(1)N4 tetrahedra, edges with four equivalent Sr(2)N6 octahedra,  an edgeedge with one Nb(1)N4 tetrahedra, and edges with four equivalent Li(1)N4 tetrahedra. The corner-sharing octahedral tilt angles are 19°. In the second Sr site, Sr(2) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form distorted SrN6 octahedra that share corners with two equivalent Nb(1)N4 tetrahedra, corners with eight equivalent Li(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, edges with four equivalent Sr(1)N6 octahedra, edges with two equivalent Li(1)N4 tetrahedra, and edges with two equivalent Nb(1)N4 tetrahedra. Nb(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form NbN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with four equivalent Sr(1)N6 octahedra, corners with four equivalent Li(1)N4 tetrahedra,  an edgeedge with one Sr(1)N6 octahedra, edges with two equivalent Sr(2)N6 octahedra, and edges with two equivalent Li(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 17-82°. There are three inequivalent N sites. In the first N site, N(2) is bonded in a 7-coordinate geometry to one Li(2), two equivalent Li(1), one Sr(1), two equivalent Sr(2), and one Nb(1) atom. In the second N site, N(3) is bonded in a 7-coordinate geometry to one Li(2), two equivalent Li(1), one Sr(1), two equivalent Sr(2), and one Nb(1) atom. In the third N site, N(1) is bonded in a 7-coordinate geometry to one Li(2), two equivalent Li(1), one Sr(2), two equivalent Sr(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_Sr2Li3NbN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.056
_cell_length_b   8.748
_cell_length_c   9.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   557.696
_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
  Sr  Sr0  1  0.000  0.243  0.754  1.0
  Sr  Sr1  1  0.000  0.757  0.246  1.0
  Sr  Sr2  1  0.500  0.743  0.746  1.0
  Sr  Sr3  1  0.500  0.257  0.254  1.0
  Sr  Sr4  1  0.259  0.000  0.000  1.0
  Sr  Sr5  1  0.241  0.500  0.500  1.0
  Sr  Sr6  1  0.741  0.000  0.000  1.0
  Sr  Sr7  1  0.759  0.500  0.500  1.0
  Li  Li8  1  0.237  0.018  0.365  1.0
  Li  Li9  1  0.237  0.982  0.635  1.0
  Li  Li10  1  0.263  0.518  0.135  1.0
  Li  Li11  1  0.263  0.482  0.865  1.0
  Li  Li12  1  0.763  0.982  0.635  1.0
  Li  Li13  1  0.763  0.018  0.365  1.0
  Li  Li14  1  0.737  0.482  0.865  1.0
  Li  Li15  1  0.737  0.518  0.135  1.0
  Li  Li16  1  0.000  0.205  0.422  1.0
  Li  Li17  1  0.000  0.795  0.578  1.0
  Li  Li18  1  0.500  0.705  0.078  1.0
  Li  Li19  1  0.500  0.295  0.922  1.0
  Nb  Nb20  1  0.000  0.286  0.138  1.0
  Nb  Nb21  1  0.000  0.714  0.862  1.0
  Nb  Nb22  1  0.500  0.786  0.362  1.0
  Nb  Nb23  1  0.500  0.214  0.638  1.0
  N  N24  1  0.235  0.302  0.019  1.0
  N  N25  1  0.235  0.698  0.981  1.0
  N  N26  1  0.265  0.802  0.481  1.0
  N  N27  1  0.265  0.198  0.519  1.0
  N  N28  1  0.765  0.698  0.981  1.0
  N  N29  1  0.765  0.302  0.019  1.0
  N  N30  1  0.735  0.198  0.519  1.0
  N  N31  1  0.735  0.802  0.481  1.0
  N  N32  1  0.000  0.072  0.221  1.0
  N  N33  1  0.000  0.928  0.779  1.0
  N  N34  1  0.500  0.572  0.279  1.0
  N  N35  1  0.500  0.428  0.721  1.0
  N  N36  1  0.000  0.453  0.284  1.0
  N  N37  1  0.000  0.547  0.716  1.0
  N  N38  1  0.500  0.953  0.216  1.0
  N  N39  1  0.500  0.047  0.784  1.0
[/CIF]
.