The crystal structure described by Na4CoAuO5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Co(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Au(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Na(2), one Co(1), and one Au(1) atom to form a mixture of corner, face, and edge-sharing ONa4CoAu octahedra. The corner-sharing octahedral tilt angles range from 0-39°. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Co(1) atom. is represented by the CIF file [CIF]
data_Na4CoAuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.625
_cell_length_b   5.625
_cell_length_c   10.621
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.221
_symmetry_Int_Tables_number   1
_cell_volume   298.800
_cell_formula_units_Z   2
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  0.360  0.992  0.250  1.0
  Na  Na1  1  0.992  0.360  0.250  1.0
  Na  Na2  1  0.671  0.329  0.000  1.0
  Na  Na3  1  0.671  0.329  0.500  1.0
  Na  Na4  1  0.329  0.671  0.000  1.0
  Na  Na5  1  0.640  0.008  0.750  1.0
  Na  Na6  1  0.329  0.671  0.500  1.0
  Na  Na7  1  0.008  0.640  0.750  1.0
  Co  Co8  1  0.731  0.731  0.250  1.0
  Co  Co9  1  0.269  0.269  0.750  1.0
  Au  Au10  1  0.000  0.000  0.000  1.0
  Au  Au11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.014  0.292  0.618  1.0
  O  O13  1  0.292  0.014  0.882  1.0
  O  O14  1  0.708  0.986  0.382  1.0
  O  O15  1  0.708  0.986  0.118  1.0
  O  O16  1  0.430  0.430  0.250  1.0
  O  O17  1  0.570  0.570  0.750  1.0
  O  O18  1  0.986  0.708  0.382  1.0
  O  O19  1  0.292  0.014  0.618  1.0
  O  O20  1  0.986  0.708  0.118  1.0
  O  O21  1  0.014  0.292  0.882  1.0
[/CIF]
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The crystal structure described by Na4CoAuO5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Co(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Au(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Na(2), one Co(1), and one Au(1) atom to form a mixture of corner, face, and edge-sharing ONa4CoAu octahedra. The corner-sharing octahedral tilt angles range from 0-39°. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Co(1) atom. is represented by the CIF file [CIF]
data_Na4CoAuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.625
_cell_length_b   5.625
_cell_length_c   10.621
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.221
_symmetry_Int_Tables_number   1
_cell_volume   298.800
_cell_formula_units_Z   2
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  0.360  0.992  0.250  1.0
  Na  Na1  1  0.992  0.360  0.250  1.0
  Na  Na2  1  0.671  0.329  0.000  1.0
  Na  Na3  1  0.671  0.329  0.500  1.0
  Na  Na4  1  0.329  0.671  0.000  1.0
  Na  Na5  1  0.640  0.008  0.750  1.0
  Na  Na6  1  0.329  0.671  0.500  1.0
  Na  Na7  1  0.008  0.640  0.750  1.0
  Co  Co8  1  0.731  0.731  0.250  1.0
  Co  Co9  1  0.269  0.269  0.750  1.0
  Au  Au10  1  0.000  0.000  0.000  1.0
  Au  Au11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.014  0.292  0.618  1.0
  O  O13  1  0.292  0.014  0.882  1.0
  O  O14  1  0.708  0.986  0.382  1.0
  O  O15  1  0.708  0.986  0.118  1.0
  O  O16  1  0.430  0.430  0.250  1.0
  O  O17  1  0.570  0.570  0.750  1.0
  O  O18  1  0.986  0.708  0.382  1.0
  O  O19  1  0.292  0.014  0.618  1.0
  O  O20  1  0.986  0.708  0.118  1.0
  O  O21  1  0.014  0.292  0.882  1.0
[/CIF]
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