The crystal structure described by LiSrGaN2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one N(2), one N(4), two equivalent N(1), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(4) and four equivalent N(1) atoms. In the third Sr site, Sr(3) is bonded to two equivalent N(2) and four equivalent N(3) atoms to form distorted SrN6 octahedra that share corners with four equivalent Ga(1)N4 tetrahedra, edges with three equivalent Sr(3)N6 octahedra, and edges with four equivalent Ga(1)N4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form distorted GaN4 tetrahedra that share corners with two equivalent Sr(3)N6 octahedra,  a cornercorner with one Ga(2)N4 tetrahedra, corners with three equivalent Ga(1)N4 tetrahedra, and edges with two equivalent Sr(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the second Ga site, Ga(2) is bonded to two equivalent N(1) and two equivalent N(4) atoms to form a mixture of corner and edge-sharing GaN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to two equivalent Li(1), one Sr(1), two equivalent Sr(2), one Ga(1), and one Ga(2) atom. In the second N site, N(2) is bonded in a 7-coordinate geometry to two equivalent Li(2), one Sr(1), two equivalent Sr(3), and two equivalent Ga(1) atoms. In the third N site, N(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Sr(1), two equivalent Sr(3), and two equivalent Ga(1) atoms. In the fourth N site, N(4) is bonded in a 7-coordinate geometry to two equivalent Li(1), one Sr(1), two equivalent Sr(2), and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_SrLiGaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.978
_cell_length_b   5.978
_cell_length_c   12.745
_cell_angle_alpha   89.297
_cell_angle_beta   89.297
_cell_angle_gamma   118.343
_symmetry_Int_Tables_number   1
_cell_volume   400.729
_cell_formula_units_Z   6
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  0.948  0.948  0.257  1.0
  Sr  Sr1  1  0.821  0.179  0.500  1.0
  Sr  Sr2  1  0.179  0.821  0.500  1.0
  Sr  Sr3  1  0.166  0.834  0.000  1.0
  Sr  Sr4  1  0.834  0.166  0.000  1.0
  Sr  Sr5  1  0.052  0.052  0.743  1.0
  Li  Li6  1  0.813  0.447  0.318  1.0
  Li  Li7  1  0.187  0.553  0.682  1.0
  Li  Li8  1  0.447  0.813  0.318  1.0
  Li  Li9  1  0.595  0.595  0.081  1.0
  Li  Li10  1  0.553  0.187  0.682  1.0
  Li  Li11  1  0.405  0.405  0.919  1.0
  Ga  Ga12  1  0.489  0.814  0.812  1.0
  Ga  Ga13  1  0.814  0.489  0.812  1.0
  Ga  Ga14  1  0.511  0.186  0.188  1.0
  Ga  Ga15  1  0.392  0.392  0.411  1.0
  Ga  Ga16  1  0.608  0.608  0.589  1.0
  Ga  Ga17  1  0.186  0.511  0.188  1.0
  N  N18  1  0.455  0.137  0.343  1.0
  N  N19  1  0.749  0.749  0.891  1.0
  N  N20  1  0.503  0.147  0.851  1.0
  N  N21  1  0.251  0.251  0.109  1.0
  N  N22  1  0.137  0.455  0.343  1.0
  N  N23  1  0.545  0.863  0.657  1.0
  N  N24  1  0.853  0.497  0.149  1.0
  N  N25  1  0.147  0.503  0.851  1.0
  N  N26  1  0.719  0.719  0.433  1.0
  N  N27  1  0.281  0.281  0.567  1.0
  N  N28  1  0.497  0.853  0.149  1.0
  N  N29  1  0.863  0.545  0.657  1.0
[/CIF]
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The crystal structure described by LiSrGaN2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one N(3), one N(4), and two equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one N(2), one N(4), two equivalent N(1), and two equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to two equivalent N(4) and four equivalent N(1) atoms. In the third Sr site, Sr(3) is bonded to two equivalent N(2) and four equivalent N(3) atoms to form distorted SrN6 octahedra that share corners with four equivalent Ga(1)N4 tetrahedra, edges with three equivalent Sr(3)N6 octahedra, and edges with four equivalent Ga(1)N4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form distorted GaN4 tetrahedra that share corners with two equivalent Sr(3)N6 octahedra,  a cornercorner with one Ga(2)N4 tetrahedra, corners with three equivalent Ga(1)N4 tetrahedra, and edges with two equivalent Sr(3)N6 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the second Ga site, Ga(2) is bonded to two equivalent N(1) and two equivalent N(4) atoms to form a mixture of corner and edge-sharing GaN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to two equivalent Li(1), one Sr(1), two equivalent Sr(2), one Ga(1), and one Ga(2) atom. In the second N site, N(2) is bonded in a 7-coordinate geometry to two equivalent Li(2), one Sr(1), two equivalent Sr(3), and two equivalent Ga(1) atoms. In the third N site, N(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one Sr(1), two equivalent Sr(3), and two equivalent Ga(1) atoms. In the fourth N site, N(4) is bonded in a 7-coordinate geometry to two equivalent Li(1), one Sr(1), two equivalent Sr(2), and two equivalent Ga(2) atoms. is represented by the CIF file [CIF]
data_SrLiGaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.978
_cell_length_b   5.978
_cell_length_c   12.745
_cell_angle_alpha   89.297
_cell_angle_beta   89.297
_cell_angle_gamma   118.343
_symmetry_Int_Tables_number   1
_cell_volume   400.729
_cell_formula_units_Z   6
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  0.948  0.948  0.257  1.0
  Sr  Sr1  1  0.821  0.179  0.500  1.0
  Sr  Sr2  1  0.179  0.821  0.500  1.0
  Sr  Sr3  1  0.166  0.834  0.000  1.0
  Sr  Sr4  1  0.834  0.166  0.000  1.0
  Sr  Sr5  1  0.052  0.052  0.743  1.0
  Li  Li6  1  0.813  0.447  0.318  1.0
  Li  Li7  1  0.187  0.553  0.682  1.0
  Li  Li8  1  0.447  0.813  0.318  1.0
  Li  Li9  1  0.595  0.595  0.081  1.0
  Li  Li10  1  0.553  0.187  0.682  1.0
  Li  Li11  1  0.405  0.405  0.919  1.0
  Ga  Ga12  1  0.489  0.814  0.812  1.0
  Ga  Ga13  1  0.814  0.489  0.812  1.0
  Ga  Ga14  1  0.511  0.186  0.188  1.0
  Ga  Ga15  1  0.392  0.392  0.411  1.0
  Ga  Ga16  1  0.608  0.608  0.589  1.0
  Ga  Ga17  1  0.186  0.511  0.188  1.0
  N  N18  1  0.455  0.137  0.343  1.0
  N  N19  1  0.749  0.749  0.891  1.0
  N  N20  1  0.503  0.147  0.851  1.0
  N  N21  1  0.251  0.251  0.109  1.0
  N  N22  1  0.137  0.455  0.343  1.0
  N  N23  1  0.545  0.863  0.657  1.0
  N  N24  1  0.853  0.497  0.149  1.0
  N  N25  1  0.147  0.503  0.851  1.0
  N  N26  1  0.719  0.719  0.433  1.0
  N  N27  1  0.281  0.281  0.567  1.0
  N  N28  1  0.497  0.853  0.149  1.0
  N  N29  1  0.863  0.545  0.657  1.0
[/CIF]
.