The crystal structure described by La3SiN3O2 crystallizes in the orthorhombic Fmm2 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent N(1), four equivalent N(2), and two equivalent O(1) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to four equivalent N(2), two equivalent O(1), and two equivalent O(2) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent O(1), and two equivalent O(2) atoms. In the fourth La site, La(4) is bonded in a 10-coordinate geometry to two equivalent N(1), four equivalent N(2), two equivalent O(1), and two equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to one N(1), two equivalent N(2), and one O(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one La(1), two equivalent La(3), two equivalent La(4), and one Si(1) atom to form distorted NLa5Si octahedra that share corners with two equivalent N(1)La5Si octahedra, corners with four equivalent O(1)La6 octahedra,  a faceface with one N(1)La5Si octahedra, and faces with two equivalent O(1)La6 octahedra. The corner-sharing octahedral tilt angles range from 40-68°. In the second N site, N(2) is bonded in a 6-coordinate geometry to one La(1), one La(2), one La(3), two equivalent La(4), and one Si(1) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 6-coordinate geometry to one La(2), two equivalent La(3), two equivalent La(4), and one Si(1) atom. In the second O site, O(1) is bonded to one La(1), one La(2), two equivalent La(3), and two equivalent La(4) atoms to form OLa6 octahedra that share corners with four equivalent N(1)La5Si octahedra, corners with six equivalent O(1)La6 octahedra, and faces with two equivalent N(1)La5Si octahedra. The corner-sharing octahedral tilt angles range from 3-68°. is represented by the CIF card [CIF]
data_La3SiN3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.827
_cell_length_b   6.827
_cell_length_c   7.413
_cell_angle_alpha   62.055
_cell_angle_beta   62.055
_cell_angle_gamma   88.988
_symmetry_Int_Tables_number   1
_cell_volume   260.448
_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  0.323  0.177  0.000  1.0
  La  La1  1  0.669  0.831  0.000  1.0
  La  La2  1  0.181  0.678  0.000  1.0
  La  La3  1  0.822  0.319  0.000  1.0
  La  La4  1  0.244  0.256  0.500  1.0
  La  La5  1  0.744  0.756  0.500  1.0
  Si  Si6  1  0.751  0.244  0.504  1.0
  Si  Si7  1  0.256  0.749  0.496  1.0
  N  N8  1  0.990  0.208  0.302  1.0
  N  N9  1  0.490  0.989  0.303  1.0
  N  N10  1  0.208  0.708  0.303  1.0
  N  N11  1  0.292  0.510  0.698  1.0
  N  N12  1  0.511  0.010  0.697  1.0
  N  N13  1  0.792  0.292  0.697  1.0
  O  O14  1  0.508  0.508  0.000  1.0
  O  O15  1  0.992  0.992  0.000  1.0
  O  O16  1  0.709  0.484  0.306  1.0
  O  O17  1  0.016  0.791  0.694  1.0
[/CIF]
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The crystal structure described by La3SiN3O2 crystallizes in the orthorhombic Fmm2 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent N(1), four equivalent N(2), and two equivalent O(1) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to four equivalent N(2), two equivalent O(1), and two equivalent O(2) atoms. In the third La site, La(3) is bonded in a 8-coordinate geometry to two equivalent N(1), two equivalent N(2), two equivalent O(1), and two equivalent O(2) atoms. In the fourth La site, La(4) is bonded in a 10-coordinate geometry to two equivalent N(1), four equivalent N(2), two equivalent O(1), and two equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to one N(1), two equivalent N(2), and one O(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one La(1), two equivalent La(3), two equivalent La(4), and one Si(1) atom to form distorted NLa5Si octahedra that share corners with two equivalent N(1)La5Si octahedra, corners with four equivalent O(1)La6 octahedra,  a faceface with one N(1)La5Si octahedra, and faces with two equivalent O(1)La6 octahedra. The corner-sharing octahedral tilt angles range from 40-68°. In the second N site, N(2) is bonded in a 6-coordinate geometry to one La(1), one La(2), one La(3), two equivalent La(4), and one Si(1) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a 6-coordinate geometry to one La(2), two equivalent La(3), two equivalent La(4), and one Si(1) atom. In the second O site, O(1) is bonded to one La(1), one La(2), two equivalent La(3), and two equivalent La(4) atoms to form OLa6 octahedra that share corners with four equivalent N(1)La5Si octahedra, corners with six equivalent O(1)La6 octahedra, and faces with two equivalent N(1)La5Si octahedra. The corner-sharing octahedral tilt angles range from 3-68°. is represented by the CIF card [CIF]
data_La3SiN3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.827
_cell_length_b   6.827
_cell_length_c   7.413
_cell_angle_alpha   62.055
_cell_angle_beta   62.055
_cell_angle_gamma   88.988
_symmetry_Int_Tables_number   1
_cell_volume   260.448
_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  0.323  0.177  0.000  1.0
  La  La1  1  0.669  0.831  0.000  1.0
  La  La2  1  0.181  0.678  0.000  1.0
  La  La3  1  0.822  0.319  0.000  1.0
  La  La4  1  0.244  0.256  0.500  1.0
  La  La5  1  0.744  0.756  0.500  1.0
  Si  Si6  1  0.751  0.244  0.504  1.0
  Si  Si7  1  0.256  0.749  0.496  1.0
  N  N8  1  0.990  0.208  0.302  1.0
  N  N9  1  0.490  0.989  0.303  1.0
  N  N10  1  0.208  0.708  0.303  1.0
  N  N11  1  0.292  0.510  0.698  1.0
  N  N12  1  0.511  0.010  0.697  1.0
  N  N13  1  0.792  0.292  0.697  1.0
  O  O14  1  0.508  0.508  0.000  1.0
  O  O15  1  0.992  0.992  0.000  1.0
  O  O16  1  0.709  0.484  0.306  1.0
  O  O17  1  0.016  0.791  0.694  1.0
[/CIF]
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