The structure described by LaTiO2N crystallizes in the orthorhombic Pmma space group. La(1) is bonded to four equivalent N(1), four equivalent O(1), and four equivalent O(2) atoms to form distorted LaN4O8 cuboctahedra that share corners with twelve equivalent La(1)N4O8 cuboctahedra, faces with six equivalent La(1)N4O8 cuboctahedra, and faces with eight equivalent Ti(1)N2O4 octahedra. Ti(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form TiN2O4 octahedra that share corners with six equivalent Ti(1)N2O4 octahedra and faces with eight equivalent La(1)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. N(1) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Ti(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner, face, and edge-sharing OLa4Ti2 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second O site, O(2) 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   3.881
_cell_length_b   5.641
_cell_length_c   5.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.574
_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  0.000  0.250  0.234  1.0
  La  La1  1  0.000  0.750  0.766  1.0
  Ti  Ti2  1  0.500  0.250  0.731  1.0
  Ti  Ti3  1  0.500  0.750  0.269  1.0
  N  N4  1  0.500  0.000  0.500  1.0
  N  N5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.750  0.219  1.0
  O  O9  1  0.000  0.250  0.781  1.0
[/CIF]
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The structure described by LaTiO2N crystallizes in the orthorhombic Pmma space group. La(1) is bonded to four equivalent N(1), four equivalent O(1), and four equivalent O(2) atoms to form distorted LaN4O8 cuboctahedra that share corners with twelve equivalent La(1)N4O8 cuboctahedra, faces with six equivalent La(1)N4O8 cuboctahedra, and faces with eight equivalent Ti(1)N2O4 octahedra. Ti(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form TiN2O4 octahedra that share corners with six equivalent Ti(1)N2O4 octahedra and faces with eight equivalent La(1)N4O8 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-17°. N(1) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Ti(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent La(1) and two equivalent Ti(1) atoms to form a mixture of distorted corner, face, and edge-sharing OLa4Ti2 octahedra. The corner-sharing octahedral tilt angles are 58°. In the second O site, O(2) 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   3.881
_cell_length_b   5.641
_cell_length_c   5.690
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.574
_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  0.000  0.250  0.234  1.0
  La  La1  1  0.000  0.750  0.766  1.0
  Ti  Ti2  1  0.500  0.250  0.731  1.0
  Ti  Ti3  1  0.500  0.750  0.269  1.0
  N  N4  1  0.500  0.000  0.500  1.0
  N  N5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.000  0.750  0.219  1.0
  O  O9  1  0.000  0.250  0.781  1.0
[/CIF]
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