The crystal structure described by Na6CuO4 is alpha Pu-derived structured and crystallizes in the monoclinic Cc space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. In the fourth Na site, Na(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted NaO4 trigonal pyramids that share corners with two equivalent Cu(1)O4 tetrahedra, corners with four equivalent Na(6)O4 trigonal pyramids, and  an edgeedge with one Cu(1)O4 tetrahedra. In the fifth Na site, Na(5) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the sixth Na site, Na(6) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Na(6)O4 trigonal pyramids, corners with four equivalent Na(4)O4 trigonal pyramids, and  an edgeedge with one Cu(1)O4 tetrahedra. Cu(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CuO4 tetrahedra that share corners with two equivalent Na(4)O4 trigonal pyramids, corners with two equivalent Na(6)O4 trigonal pyramids,  an edgeedge with one Na(4)O4 trigonal pyramid, and  an edgeedge with one Na(6)O4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 8-coordinate geometry to one Na(1), one Na(4), one Na(6), two equivalent Na(2), two equivalent Na(5), and one Cu(1) atom. In the second O site, O(4) is bonded in a 8-coordinate geometry to one Na(2), one Na(4), one Na(5), two equivalent Na(1), two equivalent Na(3), and one Cu(1) atom. In the third O site, O(1) is bonded in a 8-coordinate geometry to one Na(2), one Na(4), one Na(5), two equivalent Na(3), two equivalent Na(6), and one Cu(1) atom. In the fourth O site, O(2) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), one Na(6), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Na6CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.696
_cell_length_b   7.696
_cell_length_c   5.855
_cell_angle_alpha   89.029
_cell_angle_beta   89.029
_cell_angle_gamma   120.412
_symmetry_Int_Tables_number   1
_cell_volume   298.872
_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  0.285  0.143  0.536  1.0
  Na  Na1  1  0.143  0.285  0.036  1.0
  Na  Na2  1  0.931  0.467  0.870  1.0
  Na  Na3  1  0.467  0.931  0.370  1.0
  Na  Na4  1  0.467  0.541  0.369  1.0
  Na  Na5  1  0.541  0.467  0.869  1.0
  Na  Na6  1  0.144  0.861  0.036  1.0
  Na  Na7  1  0.861  0.144  0.536  1.0
  Na  Na8  1  0.540  0.077  0.876  1.0
  Na  Na9  1  0.077  0.540  0.376  1.0
  Na  Na10  1  0.861  0.719  0.535  1.0
  Na  Na11  1  0.719  0.861  0.035  1.0
  Cu  Cu12  1  0.672  0.340  0.264  1.0
  Cu  Cu13  1  0.340  0.672  0.764  1.0
  O  O14  1  0.808  0.628  0.152  1.0
  O  O15  1  0.628  0.808  0.652  1.0
  O  O16  1  0.680  0.342  0.599  1.0
  O  O17  1  0.342  0.680  0.099  1.0
  O  O18  1  0.183  0.808  0.651  1.0
  O  O19  1  0.808  0.183  0.151  1.0
  O  O20  1  0.191  0.380  0.641  1.0
  O  O21  1  0.380  0.191  0.141  1.0
[/CIF]
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The crystal structure described by Na6CuO4 is alpha Pu-derived structured and crystallizes in the monoclinic Cc space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(4) atoms. In the fourth Na site, Na(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted NaO4 trigonal pyramids that share corners with two equivalent Cu(1)O4 tetrahedra, corners with four equivalent Na(6)O4 trigonal pyramids, and  an edgeedge with one Cu(1)O4 tetrahedra. In the fifth Na site, Na(5) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. In the sixth Na site, Na(6) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Na(6)O4 trigonal pyramids, corners with four equivalent Na(4)O4 trigonal pyramids, and  an edgeedge with one Cu(1)O4 tetrahedra. Cu(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CuO4 tetrahedra that share corners with two equivalent Na(4)O4 trigonal pyramids, corners with two equivalent Na(6)O4 trigonal pyramids,  an edgeedge with one Na(4)O4 trigonal pyramid, and  an edgeedge with one Na(6)O4 trigonal pyramid. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 8-coordinate geometry to one Na(1), one Na(4), one Na(6), two equivalent Na(2), two equivalent Na(5), and one Cu(1) atom. In the second O site, O(4) is bonded in a 8-coordinate geometry to one Na(2), one Na(4), one Na(5), two equivalent Na(1), two equivalent Na(3), and one Cu(1) atom. In the third O site, O(1) is bonded in a 8-coordinate geometry to one Na(2), one Na(4), one Na(5), two equivalent Na(3), two equivalent Na(6), and one Cu(1) atom. In the fourth O site, O(2) is bonded in a 7-coordinate geometry to one Na(1), one Na(2), one Na(3), one Na(4), one Na(5), one Na(6), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Na6CuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.696
_cell_length_b   7.696
_cell_length_c   5.855
_cell_angle_alpha   89.029
_cell_angle_beta   89.029
_cell_angle_gamma   120.412
_symmetry_Int_Tables_number   1
_cell_volume   298.872
_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  0.285  0.143  0.536  1.0
  Na  Na1  1  0.143  0.285  0.036  1.0
  Na  Na2  1  0.931  0.467  0.870  1.0
  Na  Na3  1  0.467  0.931  0.370  1.0
  Na  Na4  1  0.467  0.541  0.369  1.0
  Na  Na5  1  0.541  0.467  0.869  1.0
  Na  Na6  1  0.144  0.861  0.036  1.0
  Na  Na7  1  0.861  0.144  0.536  1.0
  Na  Na8  1  0.540  0.077  0.876  1.0
  Na  Na9  1  0.077  0.540  0.376  1.0
  Na  Na10  1  0.861  0.719  0.535  1.0
  Na  Na11  1  0.719  0.861  0.035  1.0
  Cu  Cu12  1  0.672  0.340  0.264  1.0
  Cu  Cu13  1  0.340  0.672  0.764  1.0
  O  O14  1  0.808  0.628  0.152  1.0
  O  O15  1  0.628  0.808  0.652  1.0
  O  O16  1  0.680  0.342  0.599  1.0
  O  O17  1  0.342  0.680  0.099  1.0
  O  O18  1  0.183  0.808  0.651  1.0
  O  O19  1  0.808  0.183  0.151  1.0
  O  O20  1  0.191  0.380  0.641  1.0
  O  O21  1  0.380  0.191  0.141  1.0
[/CIF]
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