The material structure described by LaSiO2N crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to six equivalent N(1) and six equivalent O(1) atoms to form face-sharing LaN6O6 cuboctahedra. In the second La site, La(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Si(1) is bonded in a bent 120 degrees geometry to two equivalent O(1) atoms. N(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent N(1) atoms. O(1) is bonded in a distorted single-bond geometry to one La(1), two equivalent La(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_LaSiNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.431
_cell_length_b   7.431
_cell_length_c   9.750
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   466.311
_cell_formula_units_Z   6
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  0.000  0.500  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.667  0.333  0.500  1.0
  La  La3  1  0.667  0.333  0.000  1.0
  La  La4  1  0.333  0.667  0.500  1.0
  La  La5  1  0.333  0.667  0.000  1.0
  Si  Si6  1  0.000  0.449  0.750  1.0
  Si  Si7  1  0.551  0.551  0.750  1.0
  Si  Si8  1  0.449  0.000  0.750  1.0
  Si  Si9  1  0.449  0.449  0.250  1.0
  Si  Si10  1  0.551  0.000  0.250  1.0
  Si  Si11  1  0.000  0.551  0.250  1.0
  N  N12  1  0.000  0.889  0.750  1.0
  N  N13  1  0.111  0.111  0.750  1.0
  N  N14  1  0.889  0.000  0.750  1.0
  N  N15  1  0.889  0.889  0.250  1.0
  N  N16  1  0.111  0.000  0.250  1.0
  N  N17  1  0.000  0.111  0.250  1.0
  O  O18  1  0.354  0.000  0.596  1.0
  O  O19  1  0.000  0.646  0.404  1.0
  O  O20  1  0.000  0.354  0.596  1.0
  O  O21  1  0.646  0.646  0.596  1.0
  O  O22  1  0.000  0.354  0.904  1.0
  O  O23  1  0.646  0.646  0.904  1.0
  O  O24  1  0.000  0.646  0.096  1.0
  O  O25  1  0.646  0.000  0.404  1.0
  O  O26  1  0.354  0.354  0.404  1.0
  O  O27  1  0.354  0.354  0.096  1.0
  O  O28  1  0.646  0.000  0.096  1.0
  O  O29  1  0.354  0.000  0.904  1.0
[/CIF]
.
The material structure described by LaSiO2N crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to six equivalent N(1) and six equivalent O(1) atoms to form face-sharing LaN6O6 cuboctahedra. In the second La site, La(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Si(1) is bonded in a bent 120 degrees geometry to two equivalent O(1) atoms. N(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent N(1) atoms. O(1) is bonded in a distorted single-bond geometry to one La(1), two equivalent La(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_LaSiNO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.431
_cell_length_b   7.431
_cell_length_c   9.750
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   466.311
_cell_formula_units_Z   6
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  0.000  0.500  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.667  0.333  0.500  1.0
  La  La3  1  0.667  0.333  0.000  1.0
  La  La4  1  0.333  0.667  0.500  1.0
  La  La5  1  0.333  0.667  0.000  1.0
  Si  Si6  1  0.000  0.449  0.750  1.0
  Si  Si7  1  0.551  0.551  0.750  1.0
  Si  Si8  1  0.449  0.000  0.750  1.0
  Si  Si9  1  0.449  0.449  0.250  1.0
  Si  Si10  1  0.551  0.000  0.250  1.0
  Si  Si11  1  0.000  0.551  0.250  1.0
  N  N12  1  0.000  0.889  0.750  1.0
  N  N13  1  0.111  0.111  0.750  1.0
  N  N14  1  0.889  0.000  0.750  1.0
  N  N15  1  0.889  0.889  0.250  1.0
  N  N16  1  0.111  0.000  0.250  1.0
  N  N17  1  0.000  0.111  0.250  1.0
  O  O18  1  0.354  0.000  0.596  1.0
  O  O19  1  0.000  0.646  0.404  1.0
  O  O20  1  0.000  0.354  0.596  1.0
  O  O21  1  0.646  0.646  0.596  1.0
  O  O22  1  0.000  0.354  0.904  1.0
  O  O23  1  0.646  0.646  0.904  1.0
  O  O24  1  0.000  0.646  0.096  1.0
  O  O25  1  0.646  0.000  0.404  1.0
  O  O26  1  0.354  0.354  0.404  1.0
  O  O27  1  0.354  0.354  0.096  1.0
  O  O28  1  0.646  0.000  0.096  1.0
  O  O29  1  0.354  0.000  0.904  1.0
[/CIF]
.