The material described by Na2RuO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, edges with three equivalent Ru(2)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Ru(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Ru(2)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Ru(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Ru(2)O6 octahedra, and edges with six equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Ru(2)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the second Ru site, Ru(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), two equivalent Na(2), one Ru(1), and one Ru(2) atom to form a mixture of corner and edge-sharing ONa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded to one Na(1), one Na(3), two equivalent Na(2), one Ru(1), and one Ru(2) atom to form a mixture of corner and edge-sharing ONa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Na(1), one Na(3), two equivalent Na(2), one Ru(1), and one Ru(2) atom to form a mixture of corner and edge-sharing ONa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2RuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.483
_cell_length_b   5.483
_cell_length_c   10.879
_cell_angle_alpha   85.079
_cell_angle_beta   85.079
_cell_angle_gamma   119.834
_symmetry_Int_Tables_number   1
_cell_volume   279.503
_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  0.913  0.087  0.750  1.0
  Na  Na1  1  0.320  0.157  0.498  1.0
  Na  Na2  1  0.157  0.320  0.998  1.0
  Na  Na3  1  0.843  0.680  0.002  1.0
  Na  Na4  1  0.500  0.000  0.000  1.0
  Na  Na5  1  0.680  0.843  0.502  1.0
  Na  Na6  1  0.087  0.913  0.250  1.0
  Na  Na7  1  0.000  0.500  0.500  1.0
  Ru  Ru8  1  0.420  0.580  0.250  1.0
  Ru  Ru9  1  0.246  0.754  0.750  1.0
  Ru  Ru10  1  0.580  0.420  0.750  1.0
  Ru  Ru11  1  0.754  0.246  0.250  1.0
  O  O12  1  0.874  0.420  0.853  1.0
  O  O13  1  0.683  0.509  0.350  1.0
  O  O14  1  0.317  0.491  0.650  1.0
  O  O15  1  0.953  0.756  0.646  1.0
  O  O16  1  0.491  0.317  0.150  1.0
  O  O17  1  0.126  0.580  0.147  1.0
  O  O18  1  0.244  0.047  0.854  1.0
  O  O19  1  0.420  0.874  0.353  1.0
  O  O20  1  0.580  0.126  0.647  1.0
  O  O21  1  0.047  0.244  0.354  1.0
  O  O22  1  0.509  0.683  0.850  1.0
  O  O23  1  0.756  0.953  0.146  1.0
[/CIF]
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The material described by Na2RuO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, edges with three equivalent Ru(2)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Ru(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Ru(2)O6 octahedra, edges with three equivalent Na(2)O6 octahedra, and edges with three equivalent Na(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-16°. In the third Na site, Na(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Ru(1)O6 octahedra, corners with two equivalent Ru(2)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Ru(1)O6 octahedra, edges with two equivalent Ru(2)O6 octahedra, and edges with six equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-14°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Ru(2)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the second Ru site, Ru(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Na(3)O6 octahedra, corners with four equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent Na(1)O6 octahedra, edges with three equivalent Ru(1)O6 octahedra, and edges with four equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one Na(3), two equivalent Na(2), one Ru(1), and one Ru(2) atom to form a mixture of corner and edge-sharing ONa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second O site, O(2) is bonded to one Na(1), one Na(3), two equivalent Na(2), one Ru(1), and one Ru(2) atom to form a mixture of corner and edge-sharing ONa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Na(1), one Na(3), two equivalent Na(2), one Ru(1), and one Ru(2) atom to form a mixture of corner and edge-sharing ONa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2RuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.483
_cell_length_b   5.483
_cell_length_c   10.879
_cell_angle_alpha   85.079
_cell_angle_beta   85.079
_cell_angle_gamma   119.834
_symmetry_Int_Tables_number   1
_cell_volume   279.503
_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  0.913  0.087  0.750  1.0
  Na  Na1  1  0.320  0.157  0.498  1.0
  Na  Na2  1  0.157  0.320  0.998  1.0
  Na  Na3  1  0.843  0.680  0.002  1.0
  Na  Na4  1  0.500  0.000  0.000  1.0
  Na  Na5  1  0.680  0.843  0.502  1.0
  Na  Na6  1  0.087  0.913  0.250  1.0
  Na  Na7  1  0.000  0.500  0.500  1.0
  Ru  Ru8  1  0.420  0.580  0.250  1.0
  Ru  Ru9  1  0.246  0.754  0.750  1.0
  Ru  Ru10  1  0.580  0.420  0.750  1.0
  Ru  Ru11  1  0.754  0.246  0.250  1.0
  O  O12  1  0.874  0.420  0.853  1.0
  O  O13  1  0.683  0.509  0.350  1.0
  O  O14  1  0.317  0.491  0.650  1.0
  O  O15  1  0.953  0.756  0.646  1.0
  O  O16  1  0.491  0.317  0.150  1.0
  O  O17  1  0.126  0.580  0.147  1.0
  O  O18  1  0.244  0.047  0.854  1.0
  O  O19  1  0.420  0.874  0.353  1.0
  O  O20  1  0.580  0.126  0.647  1.0
  O  O21  1  0.047  0.244  0.354  1.0
  O  O22  1  0.509  0.683  0.850  1.0
  O  O23  1  0.756  0.953  0.146  1.0
[/CIF]
.