The material structure described by Na3RuN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one Na(1) and eight equivalent Na(2) atoms. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to four equivalent Na(1) and two equivalent N(1) atoms. Ru(1) is bonded in a distorted bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Ru(1), and one N(1) atom. is represented by the CIF card [CIF]
data_Na3RuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.897
_cell_length_b   9.016
_cell_length_c   15.139
_cell_angle_alpha   90.000
_cell_angle_beta   139.894
_cell_angle_gamma   117.098
_symmetry_Int_Tables_number   1
_cell_volume   615.317
_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  0.000  0.500  0.626  1.0
  Na  Na1  1  0.000  0.000  0.624  1.0
  Na  Na2  1  0.000  0.500  0.874  1.0
  Na  Na3  1  0.000  0.000  0.376  1.0
  Na  Na4  1  0.452  0.500  0.476  1.0
  Na  Na5  1  0.548  0.500  0.024  1.0
  Na  Na6  1  0.452  0.000  0.226  1.0
  Na  Na7  1  0.548  0.000  0.774  1.0
  Na  Na8  1  0.548  0.048  0.024  1.0
  Na  Na9  1  0.452  0.952  0.476  1.0
  Na  Na10  1  0.548  0.548  0.774  1.0
  Na  Na11  1  0.452  0.452  0.226  1.0
  Ru  Ru12  1  0.000  0.500  0.325  1.0
  Ru  Ru13  1  0.000  0.000  0.925  1.0
  Ru  Ru14  1  0.000  0.500  0.175  1.0
  Ru  Ru15  1  0.000  0.000  0.075  1.0
  N  N16  1  0.369  0.684  0.572  1.0
  N  N17  1  0.631  0.316  0.203  1.0
  N  N18  1  0.369  0.184  0.047  1.0
  N  N19  1  0.631  0.816  0.678  1.0
  N  N20  1  0.000  0.316  0.112  1.0
  N  N21  1  0.000  0.684  0.112  1.0
  N  N22  1  0.000  0.816  0.138  1.0
  N  N23  1  0.000  0.184  0.138  1.0
[/CIF]
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The material structure described by Na3RuN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 9-coordinate geometry to one Na(1) and eight equivalent Na(2) atoms. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to four equivalent Na(1) and two equivalent N(1) atoms. Ru(1) is bonded in a distorted bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded in a 4-coordinate geometry to two equivalent Na(2), one Ru(1), and one N(1) atom. is represented by the CIF card [CIF]
data_Na3RuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.897
_cell_length_b   9.016
_cell_length_c   15.139
_cell_angle_alpha   90.000
_cell_angle_beta   139.894
_cell_angle_gamma   117.098
_symmetry_Int_Tables_number   1
_cell_volume   615.317
_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  0.000  0.500  0.626  1.0
  Na  Na1  1  0.000  0.000  0.624  1.0
  Na  Na2  1  0.000  0.500  0.874  1.0
  Na  Na3  1  0.000  0.000  0.376  1.0
  Na  Na4  1  0.452  0.500  0.476  1.0
  Na  Na5  1  0.548  0.500  0.024  1.0
  Na  Na6  1  0.452  0.000  0.226  1.0
  Na  Na7  1  0.548  0.000  0.774  1.0
  Na  Na8  1  0.548  0.048  0.024  1.0
  Na  Na9  1  0.452  0.952  0.476  1.0
  Na  Na10  1  0.548  0.548  0.774  1.0
  Na  Na11  1  0.452  0.452  0.226  1.0
  Ru  Ru12  1  0.000  0.500  0.325  1.0
  Ru  Ru13  1  0.000  0.000  0.925  1.0
  Ru  Ru14  1  0.000  0.500  0.175  1.0
  Ru  Ru15  1  0.000  0.000  0.075  1.0
  N  N16  1  0.369  0.684  0.572  1.0
  N  N17  1  0.631  0.316  0.203  1.0
  N  N18  1  0.369  0.184  0.047  1.0
  N  N19  1  0.631  0.816  0.678  1.0
  N  N20  1  0.000  0.316  0.112  1.0
  N  N21  1  0.000  0.684  0.112  1.0
  N  N22  1  0.000  0.816  0.138  1.0
  N  N23  1  0.000  0.184  0.138  1.0
[/CIF]
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