The material described by Na3OsO5 crystallizes in the trigonal P3_121 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Os(1) is bonded in a trigonal bipyramidal geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), three equivalent Na(1), and one Os(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one Os(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Na(2), two equivalent Na(1), and one Os(1) atom. is represented by the CIF card [CIF]
data_Na3OsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   5.505
_cell_length_c   13.360
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   350.565
_cell_formula_units_Z   3
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  0.906  0.290  0.914  1.0
  Na  Na1  1  0.710  0.616  0.248  1.0
  Na  Na2  1  0.094  0.384  0.419  1.0
  Na  Na3  1  0.384  0.094  0.581  1.0
  Na  Na4  1  0.728  0.728  0.500  1.0
  Na  Na5  1  0.616  0.710  0.752  1.0
  Na  Na6  1  0.273  1.000  0.833  1.0
  Na  Na7  1  0.000  0.273  0.167  1.0
  Na  Na8  1  0.290  0.906  0.086  1.0
  Os  Os9  1  0.390  0.000  0.333  1.0
  Os  Os10  1  0.000  0.390  0.667  1.0
  Os  Os11  1  0.610  0.610  1.000  1.0
  O  O12  1  0.490  0.832  0.935  1.0
  O  O13  1  0.000  0.711  0.667  1.0
  O  O14  1  0.510  0.342  0.398  1.0
  O  O15  1  0.658  0.168  0.732  1.0
  O  O16  1  0.837  0.160  0.559  1.0
  O  O17  1  0.163  0.323  0.774  1.0
  O  O18  1  0.832  0.490  0.065  1.0
  O  O19  1  0.840  0.677  0.892  1.0
  O  O20  1  0.323  0.163  0.226  1.0
  O  O21  1  0.160  0.837  0.441  1.0
  O  O22  1  0.711  0.000  0.333  1.0
  O  O23  1  0.168  0.658  0.268  1.0
  O  O24  1  0.342  0.510  0.602  1.0
  O  O25  1  0.289  0.289  1.000  1.0
  O  O26  1  0.677  0.840  0.108  1.0
[/CIF]
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The material described by Na3OsO5 crystallizes in the trigonal P3_121 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), and three equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Os(1) is bonded in a trigonal bipyramidal geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Na(2), three equivalent Na(1), and one Os(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one Os(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Na(2), two equivalent Na(1), and one Os(1) atom. is represented by the CIF card [CIF]
data_Na3OsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.505
_cell_length_b   5.505
_cell_length_c   13.360
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   120.004
_symmetry_Int_Tables_number   1
_cell_volume   350.565
_cell_formula_units_Z   3
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  0.906  0.290  0.914  1.0
  Na  Na1  1  0.710  0.616  0.248  1.0
  Na  Na2  1  0.094  0.384  0.419  1.0
  Na  Na3  1  0.384  0.094  0.581  1.0
  Na  Na4  1  0.728  0.728  0.500  1.0
  Na  Na5  1  0.616  0.710  0.752  1.0
  Na  Na6  1  0.273  1.000  0.833  1.0
  Na  Na7  1  0.000  0.273  0.167  1.0
  Na  Na8  1  0.290  0.906  0.086  1.0
  Os  Os9  1  0.390  0.000  0.333  1.0
  Os  Os10  1  0.000  0.390  0.667  1.0
  Os  Os11  1  0.610  0.610  1.000  1.0
  O  O12  1  0.490  0.832  0.935  1.0
  O  O13  1  0.000  0.711  0.667  1.0
  O  O14  1  0.510  0.342  0.398  1.0
  O  O15  1  0.658  0.168  0.732  1.0
  O  O16  1  0.837  0.160  0.559  1.0
  O  O17  1  0.163  0.323  0.774  1.0
  O  O18  1  0.832  0.490  0.065  1.0
  O  O19  1  0.840  0.677  0.892  1.0
  O  O20  1  0.323  0.163  0.226  1.0
  O  O21  1  0.160  0.837  0.441  1.0
  O  O22  1  0.711  0.000  0.333  1.0
  O  O23  1  0.168  0.658  0.268  1.0
  O  O24  1  0.342  0.510  0.602  1.0
  O  O25  1  0.289  0.289  1.000  1.0
  O  O26  1  0.677  0.840  0.108  1.0
[/CIF]
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