The crystal structure described by NaRuFeO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ru(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(4) atoms to form RuO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form FeO6 octahedra that share corners with four equivalent Ru(1)O6 octahedra and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Ru(1), and two equivalent Fe(1) atoms to form distorted ONa2Fe2Ru trigonal bipyramids that share corners with four equivalent O(2)Na2Fe3 square pyramids, corners with three equivalent O(4)Na2Ru3 trigonal bipyramids, corners with four equivalent O(1)Na2Fe2Ru trigonal bipyramids, edges with three equivalent O(2)Na2Fe3 square pyramids, and edges with two equivalent O(4)Na2Ru3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Na(1) and three equivalent Fe(1) atoms to form ONa2Fe3 square pyramids that share corners with two equivalent O(4)Na2Ru3 trigonal bipyramids, corners with four equivalent O(1)Na2Fe2Ru trigonal bipyramids, edges with four equivalent O(2)Na2Fe3 square pyramids,  an edgeedge with one O(4)Na2Ru3 trigonal bipyramid, and edges with three equivalent O(1)Na2Fe2Ru trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Ru(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded to two equivalent Na(1) and three equivalent Ru(1) atoms to form distorted ONa2Ru3 trigonal bipyramids that share corners with two equivalent O(2)Na2Fe3 square pyramids, corners with three equivalent O(1)Na2Fe2Ru trigonal bipyramids,  an edgeedge with one O(2)Na2Fe3 square pyramid, edges with two equivalent O(1)Na2Fe2Ru trigonal bipyramids, and edges with four equivalent O(4)Na2Ru3 trigonal bipyramids. is represented by the CIF card [CIF]
data_NaFeRuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.986
_cell_length_b   9.453
_cell_length_c   10.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.812
_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  0.250  0.239  0.651  1.0
  Na  Na1  1  0.250  0.739  0.849  1.0
  Na  Na2  1  0.750  0.761  0.349  1.0
  Na  Na3  1  0.750  0.261  0.151  1.0
  Fe  Fe4  1  0.250  0.081  0.402  1.0
  Fe  Fe5  1  0.250  0.581  0.098  1.0
  Fe  Fe6  1  0.750  0.919  0.598  1.0
  Fe  Fe7  1  0.750  0.419  0.902  1.0
  Ru  Ru8  1  0.250  0.059  0.879  1.0
  Ru  Ru9  1  0.250  0.559  0.621  1.0
  Ru  Ru10  1  0.750  0.941  0.121  1.0
  Ru  Ru11  1  0.750  0.441  0.379  1.0
  O  O12  1  0.250  0.967  0.716  1.0
  O  O13  1  0.250  0.467  0.784  1.0
  O  O14  1  0.750  0.033  0.284  1.0
  O  O15  1  0.750  0.533  0.216  1.0
  O  O16  1  0.250  0.883  0.479  1.0
  O  O17  1  0.250  0.383  0.021  1.0
  O  O18  1  0.750  0.117  0.521  1.0
  O  O19  1  0.750  0.617  0.979  1.0
  O  O20  1  0.250  0.304  0.346  1.0
  O  O21  1  0.250  0.804  0.154  1.0
  O  O22  1  0.750  0.696  0.654  1.0
  O  O23  1  0.750  0.196  0.846  1.0
  O  O24  1  0.250  0.077  0.061  1.0
  O  O25  1  0.250  0.577  0.439  1.0
  O  O26  1  0.750  0.923  0.939  1.0
  O  O27  1  0.750  0.423  0.561  1.0
[/CIF]
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The crystal structure described by NaRuFeO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ru(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(4) atoms to form RuO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and edges with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Fe(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form FeO6 octahedra that share corners with four equivalent Ru(1)O6 octahedra and edges with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Ru(1), and two equivalent Fe(1) atoms to form distorted ONa2Fe2Ru trigonal bipyramids that share corners with four equivalent O(2)Na2Fe3 square pyramids, corners with three equivalent O(4)Na2Ru3 trigonal bipyramids, corners with four equivalent O(1)Na2Fe2Ru trigonal bipyramids, edges with three equivalent O(2)Na2Fe3 square pyramids, and edges with two equivalent O(4)Na2Ru3 trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Na(1) and three equivalent Fe(1) atoms to form ONa2Fe3 square pyramids that share corners with two equivalent O(4)Na2Ru3 trigonal bipyramids, corners with four equivalent O(1)Na2Fe2Ru trigonal bipyramids, edges with four equivalent O(2)Na2Fe3 square pyramids,  an edgeedge with one O(4)Na2Ru3 trigonal bipyramid, and edges with three equivalent O(1)Na2Fe2Ru trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Ru(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded to two equivalent Na(1) and three equivalent Ru(1) atoms to form distorted ONa2Ru3 trigonal bipyramids that share corners with two equivalent O(2)Na2Fe3 square pyramids, corners with three equivalent O(1)Na2Fe2Ru trigonal bipyramids,  an edgeedge with one O(2)Na2Fe3 square pyramid, edges with two equivalent O(1)Na2Fe2Ru trigonal bipyramids, and edges with four equivalent O(4)Na2Ru3 trigonal bipyramids. is represented by the CIF card [CIF]
data_NaFeRuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.986
_cell_length_b   9.453
_cell_length_c   10.975
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   309.812
_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  0.250  0.239  0.651  1.0
  Na  Na1  1  0.250  0.739  0.849  1.0
  Na  Na2  1  0.750  0.761  0.349  1.0
  Na  Na3  1  0.750  0.261  0.151  1.0
  Fe  Fe4  1  0.250  0.081  0.402  1.0
  Fe  Fe5  1  0.250  0.581  0.098  1.0
  Fe  Fe6  1  0.750  0.919  0.598  1.0
  Fe  Fe7  1  0.750  0.419  0.902  1.0
  Ru  Ru8  1  0.250  0.059  0.879  1.0
  Ru  Ru9  1  0.250  0.559  0.621  1.0
  Ru  Ru10  1  0.750  0.941  0.121  1.0
  Ru  Ru11  1  0.750  0.441  0.379  1.0
  O  O12  1  0.250  0.967  0.716  1.0
  O  O13  1  0.250  0.467  0.784  1.0
  O  O14  1  0.750  0.033  0.284  1.0
  O  O15  1  0.750  0.533  0.216  1.0
  O  O16  1  0.250  0.883  0.479  1.0
  O  O17  1  0.250  0.383  0.021  1.0
  O  O18  1  0.750  0.117  0.521  1.0
  O  O19  1  0.750  0.617  0.979  1.0
  O  O20  1  0.250  0.304  0.346  1.0
  O  O21  1  0.250  0.804  0.154  1.0
  O  O22  1  0.750  0.696  0.654  1.0
  O  O23  1  0.750  0.196  0.846  1.0
  O  O24  1  0.250  0.077  0.061  1.0
  O  O25  1  0.250  0.577  0.439  1.0
  O  O26  1  0.750  0.923  0.939  1.0
  O  O27  1  0.750  0.423  0.561  1.0
[/CIF]
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