The compound described by LaZrNO2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 8-coordinate geometry to two equivalent N(1) and six equivalent O(1) atoms. Zr(1) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form corner-sharing ZrN2O4 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. N(1) is bonded to two equivalent La(1) and two equivalent Zr(1) atoms to form distorted corner-sharing NLa2Zr2 tetrahedra. O(1) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaZrNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.802
_cell_length_b   5.883
_cell_length_c   8.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.603
_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
  La  La0  1  0.493  0.540  0.250  1.0
  La  La1  1  0.007  0.040  0.250  1.0
  La  La2  1  0.507  0.460  0.750  1.0
  La  La3  1  0.993  0.960  0.750  1.0
  Zr  Zr4  1  0.500  0.000  0.000  1.0
  Zr  Zr5  1  0.000  0.500  0.500  1.0
  Zr  Zr6  1  0.500  0.000  0.500  1.0
  Zr  Zr7  1  0.000  0.500  0.000  1.0
  N  N8  1  0.407  0.966  0.250  1.0
  N  N9  1  0.093  0.466  0.250  1.0
  N  N10  1  0.593  0.034  0.750  1.0
  N  N11  1  0.907  0.534  0.750  1.0
  O  O12  1  0.809  0.809  0.045  1.0
  O  O13  1  0.691  0.309  0.455  1.0
  O  O14  1  0.191  0.191  0.545  1.0
  O  O15  1  0.309  0.691  0.955  1.0
  O  O16  1  0.191  0.191  0.955  1.0
  O  O17  1  0.309  0.691  0.545  1.0
  O  O18  1  0.809  0.809  0.455  1.0
  O  O19  1  0.691  0.309  0.045  1.0
[/CIF]
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The compound described by LaZrNO2 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 8-coordinate geometry to two equivalent N(1) and six equivalent O(1) atoms. Zr(1) is bonded to two equivalent N(1) and four equivalent O(1) atoms to form corner-sharing ZrN2O4 octahedra. The corner-sharing octahedral tilt angles range from 30-33°. N(1) is bonded to two equivalent La(1) and two equivalent Zr(1) atoms to form distorted corner-sharing NLa2Zr2 tetrahedra. O(1) is bonded in a 5-coordinate geometry to three equivalent La(1) and two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaZrNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.802
_cell_length_b   5.883
_cell_length_c   8.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.603
_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
  La  La0  1  0.493  0.540  0.250  1.0
  La  La1  1  0.007  0.040  0.250  1.0
  La  La2  1  0.507  0.460  0.750  1.0
  La  La3  1  0.993  0.960  0.750  1.0
  Zr  Zr4  1  0.500  0.000  0.000  1.0
  Zr  Zr5  1  0.000  0.500  0.500  1.0
  Zr  Zr6  1  0.500  0.000  0.500  1.0
  Zr  Zr7  1  0.000  0.500  0.000  1.0
  N  N8  1  0.407  0.966  0.250  1.0
  N  N9  1  0.093  0.466  0.250  1.0
  N  N10  1  0.593  0.034  0.750  1.0
  N  N11  1  0.907  0.534  0.750  1.0
  O  O12  1  0.809  0.809  0.045  1.0
  O  O13  1  0.691  0.309  0.455  1.0
  O  O14  1  0.191  0.191  0.545  1.0
  O  O15  1  0.309  0.691  0.955  1.0
  O  O16  1  0.191  0.191  0.955  1.0
  O  O17  1  0.309  0.691  0.545  1.0
  O  O18  1  0.809  0.809  0.455  1.0
  O  O19  1  0.691  0.309  0.045  1.0
[/CIF]
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