The material structure described by Li14Cr2N8O crystallizes in the trigonal P-3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent N(1) atoms to form LiN4 tetrahedra that share corners with two equivalent Li(3)N3O tetrahedra, corners with two equivalent Cr(1)N4 tetrahedra, corners with four equivalent Li(2)N3O tetrahedra, corners with six equivalent Li(1)N4 tetrahedra,  an edgeedge with one Li(3)N3O tetrahedra,  an edgeedge with one Cr(1)N4 tetrahedra, and edges with three equivalent Li(1)N4 tetrahedra. In the second Li site, Li(2) is bonded to one N(1), two equivalent N(2), and one O(1) atom to form LiN3O tetrahedra that share  a cornercorner with one Li(3)N3O tetrahedra,  a cornercorner with one Cr(1)N4 tetrahedra, corners with four equivalent Li(1)N4 tetrahedra, corners with nine equivalent Li(2)N3O tetrahedra,  an edgeedge with one Li(3)N3O tetrahedra,  an edgeedge with one Cr(1)N4 tetrahedra, and edges with three equivalent Li(2)N3O tetrahedra. In the third Li site, Li(3) is bonded to three equivalent N(1) and one O(1) atom to form LiN3O tetrahedra that share  a cornercorner with one Li(3)N3O tetrahedra, corners with three equivalent Li(2)N3O tetrahedra, corners with three equivalent Cr(1)N4 tetrahedra, corners with six equivalent Li(1)N4 tetrahedra, edges with three equivalent Li(2)N3O tetrahedra, and edges with three equivalent Li(1)N4 tetrahedra. Cr(1) is bonded to one N(2) and three equivalent N(1) atoms to form CrN4 tetrahedra that share corners with three equivalent Li(2)N3O tetrahedra, corners with three equivalent Li(3)N3O tetrahedra, corners with six equivalent Li(1)N4 tetrahedra, edges with three equivalent Li(2)N3O tetrahedra, and edges with three equivalent Li(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), four equivalent Li(1), and one Cr(1) atom. In the second N site, N(2) is bonded in a 7-coordinate geometry to six equivalent Li(2) and one Cr(1) atom. O(1) is bonded in a body-centered cubic geometry to two equivalent Li(3) and six equivalent Li(2) atoms. is represented by the CIF card [CIF]
data_Li14Cr2N8O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.813
_cell_length_b   5.813
_cell_length_c   8.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   240.731
_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
  Li  Li0  1  0.928  0.304  0.090  1.0
  Li  Li1  1  0.696  0.624  0.090  1.0
  Li  Li2  1  0.376  0.072  0.090  1.0
  Li  Li3  1  0.072  0.696  0.910  1.0
  Li  Li4  1  0.304  0.376  0.910  1.0
  Li  Li5  1  0.624  0.928  0.910  1.0
  Li  Li6  1  0.352  0.313  0.414  1.0
  Li  Li7  1  0.687  0.040  0.414  1.0
  Li  Li8  1  0.960  0.648  0.414  1.0
  Li  Li9  1  0.648  0.687  0.586  1.0
  Li  Li10  1  0.313  0.960  0.586  1.0
  Li  Li11  1  0.040  0.352  0.586  1.0
  Li  Li12  1  0.000  0.000  0.257  1.0
  Li  Li13  1  0.000  0.000  0.743  1.0
  Cr  Cr14  1  0.667  0.333  0.761  1.0
  Cr  Cr15  1  0.333  0.667  0.239  1.0
  N  N16  1  0.939  0.307  0.831  1.0
  N  N17  1  0.667  0.333  0.548  1.0
  N  N18  1  0.061  0.693  0.169  1.0
  N  N19  1  0.307  0.368  0.169  1.0
  N  N20  1  0.632  0.939  0.169  1.0
  N  N21  1  0.368  0.061  0.831  1.0
  N  N22  1  0.693  0.632  0.831  1.0
  N  N23  1  0.333  0.667  0.452  1.0
  O  O24  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by Li14Cr2N8O crystallizes in the trigonal P-3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent N(1) atoms to form LiN4 tetrahedra that share corners with two equivalent Li(3)N3O tetrahedra, corners with two equivalent Cr(1)N4 tetrahedra, corners with four equivalent Li(2)N3O tetrahedra, corners with six equivalent Li(1)N4 tetrahedra,  an edgeedge with one Li(3)N3O tetrahedra,  an edgeedge with one Cr(1)N4 tetrahedra, and edges with three equivalent Li(1)N4 tetrahedra. In the second Li site, Li(2) is bonded to one N(1), two equivalent N(2), and one O(1) atom to form LiN3O tetrahedra that share  a cornercorner with one Li(3)N3O tetrahedra,  a cornercorner with one Cr(1)N4 tetrahedra, corners with four equivalent Li(1)N4 tetrahedra, corners with nine equivalent Li(2)N3O tetrahedra,  an edgeedge with one Li(3)N3O tetrahedra,  an edgeedge with one Cr(1)N4 tetrahedra, and edges with three equivalent Li(2)N3O tetrahedra. In the third Li site, Li(3) is bonded to three equivalent N(1) and one O(1) atom to form LiN3O tetrahedra that share  a cornercorner with one Li(3)N3O tetrahedra, corners with three equivalent Li(2)N3O tetrahedra, corners with three equivalent Cr(1)N4 tetrahedra, corners with six equivalent Li(1)N4 tetrahedra, edges with three equivalent Li(2)N3O tetrahedra, and edges with three equivalent Li(1)N4 tetrahedra. Cr(1) is bonded to one N(2) and three equivalent N(1) atoms to form CrN4 tetrahedra that share corners with three equivalent Li(2)N3O tetrahedra, corners with three equivalent Li(3)N3O tetrahedra, corners with six equivalent Li(1)N4 tetrahedra, edges with three equivalent Li(2)N3O tetrahedra, and edges with three equivalent Li(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), four equivalent Li(1), and one Cr(1) atom. In the second N site, N(2) is bonded in a 7-coordinate geometry to six equivalent Li(2) and one Cr(1) atom. O(1) is bonded in a body-centered cubic geometry to two equivalent Li(3) and six equivalent Li(2) atoms. is represented by the CIF card [CIF]
data_Li14Cr2N8O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.813
_cell_length_b   5.813
_cell_length_c   8.226
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   240.731
_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
  Li  Li0  1  0.928  0.304  0.090  1.0
  Li  Li1  1  0.696  0.624  0.090  1.0
  Li  Li2  1  0.376  0.072  0.090  1.0
  Li  Li3  1  0.072  0.696  0.910  1.0
  Li  Li4  1  0.304  0.376  0.910  1.0
  Li  Li5  1  0.624  0.928  0.910  1.0
  Li  Li6  1  0.352  0.313  0.414  1.0
  Li  Li7  1  0.687  0.040  0.414  1.0
  Li  Li8  1  0.960  0.648  0.414  1.0
  Li  Li9  1  0.648  0.687  0.586  1.0
  Li  Li10  1  0.313  0.960  0.586  1.0
  Li  Li11  1  0.040  0.352  0.586  1.0
  Li  Li12  1  0.000  0.000  0.257  1.0
  Li  Li13  1  0.000  0.000  0.743  1.0
  Cr  Cr14  1  0.667  0.333  0.761  1.0
  Cr  Cr15  1  0.333  0.667  0.239  1.0
  N  N16  1  0.939  0.307  0.831  1.0
  N  N17  1  0.667  0.333  0.548  1.0
  N  N18  1  0.061  0.693  0.169  1.0
  N  N19  1  0.307  0.368  0.169  1.0
  N  N20  1  0.632  0.939  0.169  1.0
  N  N21  1  0.368  0.061  0.831  1.0
  N  N22  1  0.693  0.632  0.831  1.0
  N  N23  1  0.333  0.667  0.452  1.0
  O  O24  1  0.000  0.000  0.500  1.0
[/CIF]
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