The crystal structure described by Li5Ce5(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 Ce sites. In the first Ce site, Ce(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 Ce site, Ce(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 Ce(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 Ce(1), and two equivalent Si(1) atoms. In the third N site, N(4) is bonded to one Ce(2), two equivalent Ce(1), and two equivalent Si(1) atoms to form distorted corner-sharing NCe3Si2 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 Ce(1), one Ce(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Li5Ce5(SiN3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.924
_cell_length_b   10.924
_cell_length_c   5.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   663.211
_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  0.293  0.888  0.852  1.0
  Li  Li1  1  0.207  0.388  0.852  1.0
  Li  Li2  1  0.707  0.112  0.852  1.0
  Li  Li3  1  0.793  0.612  0.852  1.0
  Li  Li4  1  0.888  0.707  0.148  1.0
  Li  Li5  1  0.612  0.207  0.148  1.0
  Li  Li6  1  0.112  0.293  0.148  1.0
  Li  Li7  1  0.388  0.793  0.148  1.0
  Li  Li8  1  0.500  0.000  0.000  1.0
  Li  Li9  1  0.000  0.500  0.000  1.0
  Ce  Ce10  1  0.379  0.617  0.729  1.0
  Ce  Ce11  1  0.121  0.117  0.729  1.0
  Ce  Ce12  1  0.621  0.383  0.729  1.0
  Ce  Ce13  1  0.879  0.883  0.729  1.0
  Ce  Ce14  1  0.617  0.621  0.271  1.0
  Ce  Ce15  1  0.883  0.121  0.271  1.0
  Ce  Ce16  1  0.383  0.379  0.271  1.0
  Ce  Ce17  1  0.117  0.879  0.271  1.0
  Ce  Ce18  1  0.500  0.000  0.500  1.0
  Ce  Ce19  1  0.000  0.500  0.500  1.0
  Si  Si20  1  0.610  0.767  0.762  1.0
  Si  Si21  1  0.890  0.267  0.762  1.0
  Si  Si22  1  0.390  0.233  0.762  1.0
  Si  Si23  1  0.110  0.733  0.762  1.0
  Si  Si24  1  0.767  0.390  0.238  1.0
  Si  Si25  1  0.733  0.890  0.238  1.0
  Si  Si26  1  0.233  0.610  0.238  1.0
  Si  Si27  1  0.267  0.110  0.238  1.0
  N  N28  1  0.467  0.834  0.796  1.0
  N  N29  1  0.033  0.334  0.796  1.0
  N  N30  1  0.533  0.166  0.796  1.0
  N  N31  1  0.967  0.666  0.796  1.0
  N  N32  1  0.834  0.533  0.204  1.0
  N  N33  1  0.666  0.033  0.204  1.0
  N  N34  1  0.166  0.467  0.204  1.0
  N  N35  1  0.334  0.967  0.204  1.0
  N  N36  1  0.604  0.605  0.737  1.0
  N  N37  1  0.896  0.105  0.737  1.0
  N  N38  1  0.396  0.395  0.737  1.0
  N  N39  1  0.104  0.895  0.737  1.0
  N  N40  1  0.605  0.396  0.263  1.0
  N  N41  1  0.895  0.896  0.263  1.0
  N  N42  1  0.395  0.604  0.263  1.0
  N  N43  1  0.105  0.104  0.263  1.0
  N  N44  1  0.214  0.714  0.000  1.0
  N  N45  1  0.286  0.214  0.000  1.0
  N  N46  1  0.786  0.286  0.000  1.0
  N  N47  1  0.714  0.786  0.000  1.0
  N  N48  1  0.676  0.824  0.500  1.0
  N  N49  1  0.824  0.324  0.500  1.0
  N  N50  1  0.324  0.176  0.500  1.0
  N  N51  1  0.176  0.676  0.500  1.0
[/CIF]
.
The crystal structure described by Li5Ce5(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 Ce sites. In the first Ce site, Ce(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 Ce site, Ce(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 Ce(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 Ce(1), and two equivalent Si(1) atoms. In the third N site, N(4) is bonded to one Ce(2), two equivalent Ce(1), and two equivalent Si(1) atoms to form distorted corner-sharing NCe3Si2 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 Ce(1), one Ce(2), and one Si(1) atom. is represented by the CIF card [CIF]
data_Li5Ce5(SiN3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.924
_cell_length_b   10.924
_cell_length_c   5.558
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   663.211
_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  0.293  0.888  0.852  1.0
  Li  Li1  1  0.207  0.388  0.852  1.0
  Li  Li2  1  0.707  0.112  0.852  1.0
  Li  Li3  1  0.793  0.612  0.852  1.0
  Li  Li4  1  0.888  0.707  0.148  1.0
  Li  Li5  1  0.612  0.207  0.148  1.0
  Li  Li6  1  0.112  0.293  0.148  1.0
  Li  Li7  1  0.388  0.793  0.148  1.0
  Li  Li8  1  0.500  0.000  0.000  1.0
  Li  Li9  1  0.000  0.500  0.000  1.0
  Ce  Ce10  1  0.379  0.617  0.729  1.0
  Ce  Ce11  1  0.121  0.117  0.729  1.0
  Ce  Ce12  1  0.621  0.383  0.729  1.0
  Ce  Ce13  1  0.879  0.883  0.729  1.0
  Ce  Ce14  1  0.617  0.621  0.271  1.0
  Ce  Ce15  1  0.883  0.121  0.271  1.0
  Ce  Ce16  1  0.383  0.379  0.271  1.0
  Ce  Ce17  1  0.117  0.879  0.271  1.0
  Ce  Ce18  1  0.500  0.000  0.500  1.0
  Ce  Ce19  1  0.000  0.500  0.500  1.0
  Si  Si20  1  0.610  0.767  0.762  1.0
  Si  Si21  1  0.890  0.267  0.762  1.0
  Si  Si22  1  0.390  0.233  0.762  1.0
  Si  Si23  1  0.110  0.733  0.762  1.0
  Si  Si24  1  0.767  0.390  0.238  1.0
  Si  Si25  1  0.733  0.890  0.238  1.0
  Si  Si26  1  0.233  0.610  0.238  1.0
  Si  Si27  1  0.267  0.110  0.238  1.0
  N  N28  1  0.467  0.834  0.796  1.0
  N  N29  1  0.033  0.334  0.796  1.0
  N  N30  1  0.533  0.166  0.796  1.0
  N  N31  1  0.967  0.666  0.796  1.0
  N  N32  1  0.834  0.533  0.204  1.0
  N  N33  1  0.666  0.033  0.204  1.0
  N  N34  1  0.166  0.467  0.204  1.0
  N  N35  1  0.334  0.967  0.204  1.0
  N  N36  1  0.604  0.605  0.737  1.0
  N  N37  1  0.896  0.105  0.737  1.0
  N  N38  1  0.396  0.395  0.737  1.0
  N  N39  1  0.104  0.895  0.737  1.0
  N  N40  1  0.605  0.396  0.263  1.0
  N  N41  1  0.895  0.896  0.263  1.0
  N  N42  1  0.395  0.604  0.263  1.0
  N  N43  1  0.105  0.104  0.263  1.0
  N  N44  1  0.214  0.714  0.000  1.0
  N  N45  1  0.286  0.214  0.000  1.0
  N  N46  1  0.786  0.286  0.000  1.0
  N  N47  1  0.714  0.786  0.000  1.0
  N  N48  1  0.676  0.824  0.500  1.0
  N  N49  1  0.824  0.324  0.500  1.0
  N  N50  1  0.324  0.176  0.500  1.0
  N  N51  1  0.176  0.676  0.500  1.0
[/CIF]
.