The compound described by LiTiNCl crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to one N(1) and five equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing LiNCl5 octahedra. The corner-sharing octahedral tilt angles are 4°. Ti(1) is bonded in a distorted see-saw-like geometry to four equivalent N(1) and two equivalent Cl(1) atoms. N(1) is bonded to one Li(1) and four equivalent Ti(1) atoms to form a mixture of edge and corner-sharing NLiTi4 trigonal bipyramids. Cl(1) is bonded in a 7-coordinate geometry to five equivalent Li(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_LiTiNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.375
_cell_length_b   4.111
_cell_length_c   8.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.724
_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  0.500  0.500  0.665  1.0
  Li  Li1  1  0.000  0.000  0.335  1.0
  Ti  Ti2  1  0.500  0.000  0.948  1.0
  Ti  Ti3  1  0.000  0.500  0.052  1.0
  N  N4  1  0.500  0.500  0.918  1.0
  N  N5  1  0.000  0.000  0.082  1.0
  Cl  Cl6  1  0.000  0.000  0.654  1.0
  Cl  Cl7  1  0.500  0.500  0.346  1.0
[/CIF]
.
The compound described by LiTiNCl crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to one N(1) and five equivalent Cl(1) atoms to form a mixture of distorted edge and corner-sharing LiNCl5 octahedra. The corner-sharing octahedral tilt angles are 4°. Ti(1) is bonded in a distorted see-saw-like geometry to four equivalent N(1) and two equivalent Cl(1) atoms. N(1) is bonded to one Li(1) and four equivalent Ti(1) atoms to form a mixture of edge and corner-sharing NLiTi4 trigonal bipyramids. Cl(1) is bonded in a 7-coordinate geometry to five equivalent Li(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_LiTiNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.375
_cell_length_b   4.111
_cell_length_c   8.125
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.724
_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  0.500  0.500  0.665  1.0
  Li  Li1  1  0.000  0.000  0.335  1.0
  Ti  Ti2  1  0.500  0.000  0.948  1.0
  Ti  Ti3  1  0.000  0.500  0.052  1.0
  N  N4  1  0.500  0.500  0.918  1.0
  N  N5  1  0.000  0.000  0.082  1.0
  Cl  Cl6  1  0.000  0.000  0.654  1.0
  Cl  Cl7  1  0.500  0.500  0.346  1.0
[/CIF]
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