The material described by LaTiO2N is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Imma space group. La(1) is bonded in a 12-coordinate geometry to four equivalent N(1) and eight equivalent O(1) atoms. Ti(1) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form corner-sharing TiN2O4 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. N(1) is bonded in a 3-coordinate geometry to four equivalent La(1) and two equivalent Ti(1) atoms. O(1) is bonded in a 2-coordinate geometry to four equivalent La(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_LaTiNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.620
_cell_length_b   5.620
_cell_length_c   5.620
_cell_angle_alpha   120.765
_cell_angle_beta   120.041
_cell_angle_gamma   89.305
_symmetry_Int_Tables_number   1
_cell_volume   124.726
_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
  La  La0  1  0.250  0.250  1.000  1.0
  La  La1  1  0.750  0.750  0.000  1.0
  Ti  Ti2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  N  N4  1  0.682  0.250  0.432  1.0
  N  N5  1  0.318  0.750  0.568  1.0
  O  O6  1  0.785  0.785  0.500  1.0
  O  O7  1  0.215  0.715  0.000  1.0
  O  O8  1  0.785  0.285  0.000  1.0
  O  O9  1  0.215  0.215  0.500  1.0
[/CIF]
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The material described by LaTiO2N is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Imma space group. La(1) is bonded in a 12-coordinate geometry to four equivalent N(1) and eight equivalent O(1) atoms. Ti(1) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form corner-sharing TiN2O4 octahedra. The corner-sharing octahedral tilt angles range from 16-22°. N(1) is bonded in a 3-coordinate geometry to four equivalent La(1) and two equivalent Ti(1) atoms. O(1) is bonded in a 2-coordinate geometry to four equivalent La(1) and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_LaTiNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.620
_cell_length_b   5.620
_cell_length_c   5.620
_cell_angle_alpha   120.765
_cell_angle_beta   120.041
_cell_angle_gamma   89.305
_symmetry_Int_Tables_number   1
_cell_volume   124.726
_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
  La  La0  1  0.250  0.250  1.000  1.0
  La  La1  1  0.750  0.750  0.000  1.0
  Ti  Ti2  1  0.500  0.000  0.500  1.0
  Ti  Ti3  1  0.000  0.500  0.500  1.0
  N  N4  1  0.682  0.250  0.432  1.0
  N  N5  1  0.318  0.750  0.568  1.0
  O  O6  1  0.785  0.785  0.500  1.0
  O  O7  1  0.215  0.715  0.000  1.0
  O  O8  1  0.785  0.285  0.000  1.0
  O  O9  1  0.215  0.215  0.500  1.0
[/CIF]
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