The structure described by LaTiO2N is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic I2_12_12_1 space group. La(1) is bonded in a 5-coordinate geometry to two equivalent N(1), one O(1), and two equivalent O(2) atoms. Ti(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TiN2O4 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. N(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTiNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.591
_cell_length_b   5.591
_cell_length_c   5.591
_cell_angle_alpha   119.403
_cell_angle_beta   119.184
_cell_angle_gamma   91.228
_symmetry_Int_Tables_number   1
_cell_volume   124.899
_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  0.991  0.750  0.741  1.0
  La  La1  1  0.509  0.250  0.759  1.0
  Ti  Ti2  1  0.250  0.520  0.270  1.0
  Ti  Ti3  1  0.750  0.980  0.230  1.0
  N  N4  1  0.961  0.711  0.250  1.0
  N  N5  1  0.539  0.789  0.750  1.0
  O  O6  1  0.420  0.750  0.170  1.0
  O  O7  1  0.080  0.250  0.330  1.0
  O  O8  1  0.953  0.203  0.750  1.0
  O  O9  1  0.547  0.297  0.250  1.0
[/CIF]
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The structure described by LaTiO2N is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic I2_12_12_1 space group. La(1) is bonded in a 5-coordinate geometry to two equivalent N(1), one O(1), and two equivalent O(2) atoms. Ti(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing TiN2O4 octahedra. The corner-sharing octahedral tilt angles range from 18-26°. N(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaTiNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.591
_cell_length_b   5.591
_cell_length_c   5.591
_cell_angle_alpha   119.403
_cell_angle_beta   119.184
_cell_angle_gamma   91.228
_symmetry_Int_Tables_number   1
_cell_volume   124.899
_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  0.991  0.750  0.741  1.0
  La  La1  1  0.509  0.250  0.759  1.0
  Ti  Ti2  1  0.250  0.520  0.270  1.0
  Ti  Ti3  1  0.750  0.980  0.230  1.0
  N  N4  1  0.961  0.711  0.250  1.0
  N  N5  1  0.539  0.789  0.750  1.0
  O  O6  1  0.420  0.750  0.170  1.0
  O  O7  1  0.080  0.250  0.330  1.0
  O  O8  1  0.953  0.203  0.750  1.0
  O  O9  1  0.547  0.297  0.250  1.0
[/CIF]
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