The compound described by LiAl(CN2)2 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form LiN6 octahedra that share edges with two equivalent Li(1)N6 octahedra and edges with four equivalent Al(1)N6 octahedra. Al(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form AlN6 octahedra that share edges with two equivalent Al(1)N6 octahedra and edges with four equivalent Li(1)N6 octahedra. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Al(1), and one C(1) atom. In the second N site, N(2) is bonded to one Li(1), two equivalent Al(1), and one C(1) atom to form a mixture of distorted corner and edge-sharing NLiAl2C trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAl(CN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.479
_cell_length_b   6.542
_cell_length_c   9.214
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   330.233
_cell_formula_units_Z   4
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  0.750  0.879  0.500  1.0
  Li  Li1  1  0.250  0.621  0.000  1.0
  Li  Li2  1  0.250  0.121  0.500  1.0
  Li  Li3  1  0.750  0.379  0.000  1.0
  Al  Al4  1  0.750  0.379  0.500  1.0
  Al  Al5  1  0.250  0.121  0.000  1.0
  Al  Al6  1  0.250  0.621  0.500  1.0
  Al  Al7  1  0.750  0.879  0.000  1.0
  C  C8  1  0.588  0.131  0.754  1.0
  C  C9  1  0.088  0.369  0.746  1.0
  C  C10  1  0.412  0.369  0.254  1.0
  C  C11  1  0.912  0.131  0.246  1.0
  C  C12  1  0.412  0.869  0.246  1.0
  C  C13  1  0.912  0.631  0.254  1.0
  C  C14  1  0.588  0.631  0.746  1.0
  C  C15  1  0.088  0.869  0.754  1.0
  N  N16  1  0.610  0.158  0.624  1.0
  N  N17  1  0.110  0.342  0.876  1.0
  N  N18  1  0.390  0.342  0.124  1.0
  N  N19  1  0.890  0.158  0.376  1.0
  N  N20  1  0.390  0.842  0.376  1.0
  N  N21  1  0.890  0.658  0.124  1.0
  N  N22  1  0.610  0.658  0.876  1.0
  N  N23  1  0.110  0.842  0.624  1.0
  N  N24  1  0.564  0.099  0.887  1.0
  N  N25  1  0.064  0.401  0.613  1.0
  N  N26  1  0.436  0.401  0.387  1.0
  N  N27  1  0.936  0.099  0.113  1.0
  N  N28  1  0.436  0.901  0.113  1.0
  N  N29  1  0.936  0.599  0.387  1.0
  N  N30  1  0.564  0.599  0.613  1.0
  N  N31  1  0.064  0.901  0.887  1.0
[/CIF]
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The compound described by LiAl(CN2)2 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form LiN6 octahedra that share edges with two equivalent Li(1)N6 octahedra and edges with four equivalent Al(1)N6 octahedra. Al(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form AlN6 octahedra that share edges with two equivalent Al(1)N6 octahedra and edges with four equivalent Li(1)N6 octahedra. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Al(1), and one C(1) atom. In the second N site, N(2) is bonded to one Li(1), two equivalent Al(1), and one C(1) atom to form a mixture of distorted corner and edge-sharing NLiAl2C trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAl(CN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.479
_cell_length_b   6.542
_cell_length_c   9.214
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   330.233
_cell_formula_units_Z   4
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  0.750  0.879  0.500  1.0
  Li  Li1  1  0.250  0.621  0.000  1.0
  Li  Li2  1  0.250  0.121  0.500  1.0
  Li  Li3  1  0.750  0.379  0.000  1.0
  Al  Al4  1  0.750  0.379  0.500  1.0
  Al  Al5  1  0.250  0.121  0.000  1.0
  Al  Al6  1  0.250  0.621  0.500  1.0
  Al  Al7  1  0.750  0.879  0.000  1.0
  C  C8  1  0.588  0.131  0.754  1.0
  C  C9  1  0.088  0.369  0.746  1.0
  C  C10  1  0.412  0.369  0.254  1.0
  C  C11  1  0.912  0.131  0.246  1.0
  C  C12  1  0.412  0.869  0.246  1.0
  C  C13  1  0.912  0.631  0.254  1.0
  C  C14  1  0.588  0.631  0.746  1.0
  C  C15  1  0.088  0.869  0.754  1.0
  N  N16  1  0.610  0.158  0.624  1.0
  N  N17  1  0.110  0.342  0.876  1.0
  N  N18  1  0.390  0.342  0.124  1.0
  N  N19  1  0.890  0.158  0.376  1.0
  N  N20  1  0.390  0.842  0.376  1.0
  N  N21  1  0.890  0.658  0.124  1.0
  N  N22  1  0.610  0.658  0.876  1.0
  N  N23  1  0.110  0.842  0.624  1.0
  N  N24  1  0.564  0.099  0.887  1.0
  N  N25  1  0.064  0.401  0.613  1.0
  N  N26  1  0.436  0.401  0.387  1.0
  N  N27  1  0.936  0.099  0.113  1.0
  N  N28  1  0.436  0.901  0.113  1.0
  N  N29  1  0.936  0.599  0.387  1.0
  N  N30  1  0.564  0.599  0.613  1.0
  N  N31  1  0.064  0.901  0.887  1.0
[/CIF]
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