The compound described by Li3V6N11 crystallizes in the tetragonal P4bm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to 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 V sites. In the first V site, V(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing VN4 tetrahedra. In the second V site, V(2) is bonded to one N(3), one N(4), and two equivalent N(2) atoms to form corner-sharing VN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the second N site, N(4) is bonded in a linear geometry to two equivalent V(2) atoms. In the third N site, N(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), and two equivalent V(1) atoms. In the fourth N site, N(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V6N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.552
_cell_length_b   10.552
_cell_length_c   5.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   579.101
_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  0.308  0.808  0.857  1.0
  Li  Li1  1  0.692  0.192  0.857  1.0
  Li  Li2  1  0.192  0.308  0.857  1.0
  Li  Li3  1  0.808  0.692  0.857  1.0
  Li  Li4  1  0.500  0.500  0.874  1.0
  Li  Li5  1  0.000  0.000  0.874  1.0
  V  V6  1  0.425  0.287  0.553  1.0
  V  V7  1  0.575  0.713  0.553  1.0
  V  V8  1  0.075  0.787  0.553  1.0
  V  V9  1  0.925  0.213  0.553  1.0
  V  V10  1  0.287  0.575  0.553  1.0
  V  V11  1  0.713  0.425  0.553  1.0
  V  V12  1  0.787  0.925  0.553  1.0
  V  V13  1  0.213  0.075  0.553  1.0
  V  V14  1  0.881  0.381  0.077  1.0
  V  V15  1  0.119  0.619  0.077  1.0
  V  V16  1  0.619  0.881  0.077  1.0
  V  V17  1  0.381  0.119  0.077  1.0
  N  N18  1  0.324  0.417  0.652  1.0
  N  N19  1  0.676  0.583  0.652  1.0
  N  N20  1  0.176  0.917  0.652  1.0
  N  N21  1  0.824  0.083  0.652  1.0
  N  N22  1  0.417  0.676  0.652  1.0
  N  N23  1  0.583  0.324  0.652  1.0
  N  N24  1  0.917  0.824  0.652  1.0
  N  N25  1  0.083  0.176  0.652  1.0
  N  N26  1  0.428  0.266  0.215  1.0
  N  N27  1  0.572  0.734  0.215  1.0
  N  N28  1  0.072  0.766  0.215  1.0
  N  N29  1  0.928  0.234  0.215  1.0
  N  N30  1  0.266  0.572  0.215  1.0
  N  N31  1  0.734  0.428  0.215  1.0
  N  N32  1  0.766  0.928  0.215  1.0
  N  N33  1  0.234  0.072  0.215  1.0
  N  N34  1  0.852  0.352  0.722  1.0
  N  N35  1  0.148  0.648  0.722  1.0
  N  N36  1  0.648  0.852  0.722  1.0
  N  N37  1  0.352  0.148  0.722  1.0
  N  N38  1  0.500  0.000  0.105  1.0
  N  N39  1  0.000  0.500  0.105  1.0
[/CIF]
.
The compound described by Li3V6N11 crystallizes in the tetragonal P4bm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to 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 V sites. In the first V site, V(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form corner-sharing VN4 tetrahedra. In the second V site, V(2) is bonded to one N(3), one N(4), and two equivalent N(2) atoms to form corner-sharing VN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(3) is bonded in a distorted trigonal pyramidal geometry to one Li(1), one V(2), and two equivalent V(1) atoms. In the second N site, N(4) is bonded in a linear geometry to two equivalent V(2) atoms. In the third N site, N(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), and two equivalent V(1) atoms. In the fourth N site, N(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3V6N11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.552
_cell_length_b   10.552
_cell_length_c   5.201
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   579.101
_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  0.308  0.808  0.857  1.0
  Li  Li1  1  0.692  0.192  0.857  1.0
  Li  Li2  1  0.192  0.308  0.857  1.0
  Li  Li3  1  0.808  0.692  0.857  1.0
  Li  Li4  1  0.500  0.500  0.874  1.0
  Li  Li5  1  0.000  0.000  0.874  1.0
  V  V6  1  0.425  0.287  0.553  1.0
  V  V7  1  0.575  0.713  0.553  1.0
  V  V8  1  0.075  0.787  0.553  1.0
  V  V9  1  0.925  0.213  0.553  1.0
  V  V10  1  0.287  0.575  0.553  1.0
  V  V11  1  0.713  0.425  0.553  1.0
  V  V12  1  0.787  0.925  0.553  1.0
  V  V13  1  0.213  0.075  0.553  1.0
  V  V14  1  0.881  0.381  0.077  1.0
  V  V15  1  0.119  0.619  0.077  1.0
  V  V16  1  0.619  0.881  0.077  1.0
  V  V17  1  0.381  0.119  0.077  1.0
  N  N18  1  0.324  0.417  0.652  1.0
  N  N19  1  0.676  0.583  0.652  1.0
  N  N20  1  0.176  0.917  0.652  1.0
  N  N21  1  0.824  0.083  0.652  1.0
  N  N22  1  0.417  0.676  0.652  1.0
  N  N23  1  0.583  0.324  0.652  1.0
  N  N24  1  0.917  0.824  0.652  1.0
  N  N25  1  0.083  0.176  0.652  1.0
  N  N26  1  0.428  0.266  0.215  1.0
  N  N27  1  0.572  0.734  0.215  1.0
  N  N28  1  0.072  0.766  0.215  1.0
  N  N29  1  0.928  0.234  0.215  1.0
  N  N30  1  0.266  0.572  0.215  1.0
  N  N31  1  0.734  0.428  0.215  1.0
  N  N32  1  0.766  0.928  0.215  1.0
  N  N33  1  0.234  0.072  0.215  1.0
  N  N34  1  0.852  0.352  0.722  1.0
  N  N35  1  0.148  0.648  0.722  1.0
  N  N36  1  0.648  0.852  0.722  1.0
  N  N37  1  0.352  0.148  0.722  1.0
  N  N38  1  0.500  0.000  0.105  1.0
  N  N39  1  0.000  0.500  0.105  1.0
[/CIF]
.