The material structure described by Na3YN4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Fddd space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 1-coordinate geometry to one N(2) and two equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Y(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form YN6 octahedra that share corners with two equivalent N(2)Na3Y2N octahedra and edges with two equivalent Y(1)N6 octahedra. The corner-sharing octahedral tilt angles are 104°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Y(1), and one N(2) atom. In the second N site, N(2) is bonded to one Na(1), two equivalent Na(2), two equivalent Y(1), and one N(1) atom to form distorted NNa3Y2N octahedra that share  a cornercorner with one Y(1)N6 octahedra, corners with four equivalent N(2)Na3Y2N octahedra, and edges with four equivalent N(2)Na3Y2N octahedra. The corner-sharing octahedral tilt angles range from 0-104°. is represented by the CIF file [CIF]
data_Na3YN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.983
_cell_length_b   6.983
_cell_length_c   12.797
_cell_angle_alpha   105.081
_cell_angle_beta   105.081
_cell_angle_gamma   92.660
_symmetry_Int_Tables_number   1
_cell_volume   577.399
_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
  Na  Na0  1  0.529  0.772  0.461  1.0
  Na  Na1  1  0.932  0.689  0.461  1.0
  Na  Na2  1  0.228  0.471  0.539  1.0
  Na  Na3  1  0.721  0.978  0.039  1.0
  Na  Na4  1  0.311  0.068  0.539  1.0
  Na  Na5  1  0.318  0.061  0.039  1.0
  Na  Na6  1  0.022  0.279  0.961  1.0
  Na  Na7  1  0.939  0.682  0.961  1.0
  Na  Na8  1  0.125  0.375  0.750  1.0
  Na  Na9  1  0.625  0.375  0.750  1.0
  Na  Na10  1  0.625  0.875  0.250  1.0
  Na  Na11  1  0.625  0.375  0.250  1.0
  Y  Y12  1  0.625  0.875  0.750  1.0
  Y  Y13  1  0.125  0.875  0.750  1.0
  Y  Y14  1  0.125  0.375  0.250  1.0
  Y  Y15  1  0.125  0.875  0.250  1.0
  N  N16  1  0.507  0.733  0.875  1.0
  N  N17  1  0.368  0.143  0.875  1.0
  N  N18  1  0.267  0.493  0.125  1.0
  N  N19  1  0.743  0.017  0.625  1.0
  N  N20  1  0.857  0.632  0.125  1.0
  N  N21  1  0.882  0.607  0.625  1.0
  N  N22  1  0.983  0.257  0.375  1.0
  N  N23  1  0.393  0.118  0.375  1.0
  N  N24  1  0.400  0.122  0.779  1.0
  N  N25  1  0.379  0.657  0.779  1.0
  N  N26  1  0.878  0.600  0.221  1.0
  N  N27  1  0.850  0.628  0.721  1.0
  N  N28  1  0.343  0.621  0.221  1.0
  N  N29  1  0.871  0.093  0.721  1.0
  N  N30  1  0.372  0.150  0.279  1.0
  N  N31  1  0.907  0.129  0.279  1.0
[/CIF]
.
The material structure described by Na3YN4 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Fddd space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 1-coordinate geometry to one N(2) and two equivalent N(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Y(1) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form YN6 octahedra that share corners with two equivalent N(2)Na3Y2N octahedra and edges with two equivalent Y(1)N6 octahedra. The corner-sharing octahedral tilt angles are 104°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Y(1), and one N(2) atom. In the second N site, N(2) is bonded to one Na(1), two equivalent Na(2), two equivalent Y(1), and one N(1) atom to form distorted NNa3Y2N octahedra that share  a cornercorner with one Y(1)N6 octahedra, corners with four equivalent N(2)Na3Y2N octahedra, and edges with four equivalent N(2)Na3Y2N octahedra. The corner-sharing octahedral tilt angles range from 0-104°. is represented by the CIF file [CIF]
data_Na3YN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.983
_cell_length_b   6.983
_cell_length_c   12.797
_cell_angle_alpha   105.081
_cell_angle_beta   105.081
_cell_angle_gamma   92.660
_symmetry_Int_Tables_number   1
_cell_volume   577.399
_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
  Na  Na0  1  0.529  0.772  0.461  1.0
  Na  Na1  1  0.932  0.689  0.461  1.0
  Na  Na2  1  0.228  0.471  0.539  1.0
  Na  Na3  1  0.721  0.978  0.039  1.0
  Na  Na4  1  0.311  0.068  0.539  1.0
  Na  Na5  1  0.318  0.061  0.039  1.0
  Na  Na6  1  0.022  0.279  0.961  1.0
  Na  Na7  1  0.939  0.682  0.961  1.0
  Na  Na8  1  0.125  0.375  0.750  1.0
  Na  Na9  1  0.625  0.375  0.750  1.0
  Na  Na10  1  0.625  0.875  0.250  1.0
  Na  Na11  1  0.625  0.375  0.250  1.0
  Y  Y12  1  0.625  0.875  0.750  1.0
  Y  Y13  1  0.125  0.875  0.750  1.0
  Y  Y14  1  0.125  0.375  0.250  1.0
  Y  Y15  1  0.125  0.875  0.250  1.0
  N  N16  1  0.507  0.733  0.875  1.0
  N  N17  1  0.368  0.143  0.875  1.0
  N  N18  1  0.267  0.493  0.125  1.0
  N  N19  1  0.743  0.017  0.625  1.0
  N  N20  1  0.857  0.632  0.125  1.0
  N  N21  1  0.882  0.607  0.625  1.0
  N  N22  1  0.983  0.257  0.375  1.0
  N  N23  1  0.393  0.118  0.375  1.0
  N  N24  1  0.400  0.122  0.779  1.0
  N  N25  1  0.379  0.657  0.779  1.0
  N  N26  1  0.878  0.600  0.221  1.0
  N  N27  1  0.850  0.628  0.721  1.0
  N  N28  1  0.343  0.621  0.221  1.0
  N  N29  1  0.871  0.093  0.721  1.0
  N  N30  1  0.372  0.150  0.279  1.0
  N  N31  1  0.907  0.129  0.279  1.0
[/CIF]
.