The material structure described by Li5La5(SiN3)4 crystallizes in the tetragonal P-4b2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one N(2), one N(3), and two equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one N(1), one N(3), one N(4), and four equivalent N(2) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to two equivalent N(4) and four equivalent N(1) atoms. Si(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(2) is bonded in a 6-coordinate geometry to one Li(1), four equivalent La(1), and one Si(1) atom. In the second N site, N(3) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent La(1), and two equivalent Si(1) atoms. In the third N site, N(4) is bonded to one La(2), two equivalent La(1), and two equivalent Si(1) atoms to form distorted corner-sharing NLa3Si2 trigonal bipyramids. In the fourth N site, N(1) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one La(1), one La(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5La5(SiN3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.067
_cell_length_b   11.067
_cell_length_c   5.608
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.917
_cell_formula_units_Z   2
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  0.289  0.883  0.853  1.0
  Li  Li1  1  0.211  0.383  0.853  1.0
  Li  Li2  1  0.711  0.117  0.853  1.0
  Li  Li3  1  0.789  0.617  0.853  1.0
  Li  Li4  1  0.883  0.711  0.147  1.0
  Li  Li5  1  0.617  0.211  0.147  1.0
  Li  Li6  1  0.117  0.289  0.147  1.0
  Li  Li7  1  0.383  0.789  0.147  1.0
  Li  Li8  1  0.500  0.000  0.000  1.0
  Li  Li9  1  0.000  0.500  0.000  1.0
  La  La10  1  0.376  0.617  0.733  1.0
  La  La11  1  0.124  0.117  0.733  1.0
  La  La12  1  0.624  0.383  0.733  1.0
  La  La13  1  0.876  0.883  0.733  1.0
  La  La14  1  0.617  0.624  0.267  1.0
  La  La15  1  0.883  0.124  0.267  1.0
  La  La16  1  0.383  0.376  0.267  1.0
  La  La17  1  0.117  0.876  0.267  1.0
  La  La18  1  0.500  0.000  0.500  1.0
  La  La19  1  0.000  0.500  0.500  1.0
  Si  Si20  1  0.608  0.769  0.762  1.0
  Si  Si21  1  0.892  0.269  0.762  1.0
  Si  Si22  1  0.392  0.231  0.762  1.0
  Si  Si23  1  0.108  0.731  0.762  1.0
  Si  Si24  1  0.769  0.392  0.238  1.0
  Si  Si25  1  0.731  0.892  0.238  1.0
  Si  Si26  1  0.231  0.608  0.238  1.0
  Si  Si27  1  0.269  0.108  0.238  1.0
  N  N28  1  0.466  0.832  0.798  1.0
  N  N29  1  0.034  0.332  0.798  1.0
  N  N30  1  0.534  0.168  0.798  1.0
  N  N31  1  0.966  0.668  0.798  1.0
  N  N32  1  0.832  0.534  0.202  1.0
  N  N33  1  0.668  0.034  0.202  1.0
  N  N34  1  0.168  0.466  0.202  1.0
  N  N35  1  0.332  0.966  0.202  1.0
  N  N36  1  0.604  0.609  0.737  1.0
  N  N37  1  0.896  0.109  0.737  1.0
  N  N38  1  0.396  0.391  0.737  1.0
  N  N39  1  0.104  0.891  0.737  1.0
  N  N40  1  0.609  0.396  0.263  1.0
  N  N41  1  0.891  0.896  0.263  1.0
  N  N42  1  0.391  0.604  0.263  1.0
  N  N43  1  0.109  0.104  0.263  1.0
  N  N44  1  0.210  0.710  0.000  1.0
  N  N45  1  0.290  0.210  0.000  1.0
  N  N46  1  0.790  0.290  0.000  1.0
  N  N47  1  0.710  0.790  0.000  1.0
  N  N48  1  0.672  0.828  0.500  1.0
  N  N49  1  0.828  0.328  0.500  1.0
  N  N50  1  0.328  0.172  0.500  1.0
  N  N51  1  0.172  0.672  0.500  1.0
[/CIF]
.
The material structure described by Li5La5(SiN3)4 crystallizes in the tetragonal P-4b2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one N(2), one N(3), and two equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one N(1), one N(3), one N(4), and four equivalent N(2) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to two equivalent N(4) and four equivalent N(1) atoms. Si(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing SiN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(2) is bonded in a 6-coordinate geometry to one Li(1), four equivalent La(1), and one Si(1) atom. In the second N site, N(3) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent La(1), and two equivalent Si(1) atoms. In the third N site, N(4) is bonded to one La(2), two equivalent La(1), and two equivalent Si(1) atoms to form distorted corner-sharing NLa3Si2 trigonal bipyramids. In the fourth N site, N(1) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(1), one La(1), one La(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5La5(SiN3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.067
_cell_length_b   11.067
_cell_length_c   5.608
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   686.917
_cell_formula_units_Z   2
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  0.289  0.883  0.853  1.0
  Li  Li1  1  0.211  0.383  0.853  1.0
  Li  Li2  1  0.711  0.117  0.853  1.0
  Li  Li3  1  0.789  0.617  0.853  1.0
  Li  Li4  1  0.883  0.711  0.147  1.0
  Li  Li5  1  0.617  0.211  0.147  1.0
  Li  Li6  1  0.117  0.289  0.147  1.0
  Li  Li7  1  0.383  0.789  0.147  1.0
  Li  Li8  1  0.500  0.000  0.000  1.0
  Li  Li9  1  0.000  0.500  0.000  1.0
  La  La10  1  0.376  0.617  0.733  1.0
  La  La11  1  0.124  0.117  0.733  1.0
  La  La12  1  0.624  0.383  0.733  1.0
  La  La13  1  0.876  0.883  0.733  1.0
  La  La14  1  0.617  0.624  0.267  1.0
  La  La15  1  0.883  0.124  0.267  1.0
  La  La16  1  0.383  0.376  0.267  1.0
  La  La17  1  0.117  0.876  0.267  1.0
  La  La18  1  0.500  0.000  0.500  1.0
  La  La19  1  0.000  0.500  0.500  1.0
  Si  Si20  1  0.608  0.769  0.762  1.0
  Si  Si21  1  0.892  0.269  0.762  1.0
  Si  Si22  1  0.392  0.231  0.762  1.0
  Si  Si23  1  0.108  0.731  0.762  1.0
  Si  Si24  1  0.769  0.392  0.238  1.0
  Si  Si25  1  0.731  0.892  0.238  1.0
  Si  Si26  1  0.231  0.608  0.238  1.0
  Si  Si27  1  0.269  0.108  0.238  1.0
  N  N28  1  0.466  0.832  0.798  1.0
  N  N29  1  0.034  0.332  0.798  1.0
  N  N30  1  0.534  0.168  0.798  1.0
  N  N31  1  0.966  0.668  0.798  1.0
  N  N32  1  0.832  0.534  0.202  1.0
  N  N33  1  0.668  0.034  0.202  1.0
  N  N34  1  0.168  0.466  0.202  1.0
  N  N35  1  0.332  0.966  0.202  1.0
  N  N36  1  0.604  0.609  0.737  1.0
  N  N37  1  0.896  0.109  0.737  1.0
  N  N38  1  0.396  0.391  0.737  1.0
  N  N39  1  0.104  0.891  0.737  1.0
  N  N40  1  0.609  0.396  0.263  1.0
  N  N41  1  0.891  0.896  0.263  1.0
  N  N42  1  0.391  0.604  0.263  1.0
  N  N43  1  0.109  0.104  0.263  1.0
  N  N44  1  0.210  0.710  0.000  1.0
  N  N45  1  0.290  0.210  0.000  1.0
  N  N46  1  0.790  0.290  0.000  1.0
  N  N47  1  0.710  0.790  0.000  1.0
  N  N48  1  0.672  0.828  0.500  1.0
  N  N49  1  0.828  0.328  0.500  1.0
  N  N50  1  0.328  0.172  0.500  1.0
  N  N51  1  0.172  0.672  0.500  1.0
[/CIF]
.