The crystal structure described by Na7Cu3O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted edge-sharing NaO5 trigonal bipyramids. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the fourth Na site, Na(4) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), two equivalent Na(3), and one Cu(1) atom to form distorted ONa5Cu octahedra that share  a cornercorner with one O(2)Na5Cu octahedra, corners with six equivalent O(4)Na4Cu2 octahedra, edges with two equivalent O(1)Na5Cu octahedra, and faces with two equivalent O(2)Na5Cu octahedra. The corner-sharing octahedral tilt angles range from 8-72°. In the second O site, O(2) is bonded to one Na(4), two equivalent Na(1), two equivalent Na(2), and one Cu(1) atom to form distorted ONa5Cu octahedra that share  a cornercorner with one O(4)Na4Cu2 octahedra,  a cornercorner with one O(1)Na5Cu octahedra,  a cornercorner with one O(2)Na5Cu octahedra, edges with two equivalent O(2)Na5Cu octahedra, edges with three equivalent O(4)Na4Cu2 octahedra, and faces with two equivalent O(1)Na5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Na(3), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Cu(1), and one Cu(2) atom to form distorted ONa4Cu2 octahedra that share  a cornercorner with one O(2)Na5Cu octahedra, corners with two equivalent O(4)Na4Cu2 octahedra, corners with six equivalent O(1)Na5Cu octahedra, and edges with three equivalent O(2)Na5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-72°. is represented by the CIF file [CIF]
data_Na7Cu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.510
_cell_length_b   6.074
_cell_length_c   7.834
_cell_angle_alpha   110.113
_cell_angle_beta   109.080
_cell_angle_gamma   90.294
_symmetry_Int_Tables_number   1
_cell_volume   230.626
_cell_formula_units_Z   1
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  0.282  0.391  0.384  1.0
  Na  Na1  1  0.625  0.165  0.710  1.0
  Na  Na2  1  0.749  0.630  0.057  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Na  Na4  1  0.251  0.370  0.943  1.0
  Na  Na5  1  0.375  0.835  0.290  1.0
  Na  Na6  1  0.718  0.609  0.616  1.0
  Cu  Cu7  1  0.745  0.250  0.239  1.0
  Cu  Cu8  1  0.000  0.000  0.000  1.0
  Cu  Cu9  1  0.255  0.750  0.761  1.0
  O  O10  1  0.574  0.503  0.251  1.0
  O  O11  1  0.648  0.192  0.421  1.0
  O  O12  1  0.878  0.284  0.054  1.0
  O  O13  1  0.961  0.009  0.222  1.0
  O  O14  1  0.039  0.991  0.778  1.0
  O  O15  1  0.122  0.716  0.946  1.0
  O  O16  1  0.352  0.808  0.579  1.0
  O  O17  1  0.426  0.497  0.749  1.0
[/CIF]
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The crystal structure described by Na7Cu3O8 crystallizes in the triclinic P-1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted edge-sharing NaO5 trigonal bipyramids. In the third Na site, Na(3) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(1), and two equivalent O(3) atoms. In the fourth Na site, Na(4) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Na(2), two equivalent Na(1), two equivalent Na(3), and one Cu(1) atom to form distorted ONa5Cu octahedra that share  a cornercorner with one O(2)Na5Cu octahedra, corners with six equivalent O(4)Na4Cu2 octahedra, edges with two equivalent O(1)Na5Cu octahedra, and faces with two equivalent O(2)Na5Cu octahedra. The corner-sharing octahedral tilt angles range from 8-72°. In the second O site, O(2) is bonded to one Na(4), two equivalent Na(1), two equivalent Na(2), and one Cu(1) atom to form distorted ONa5Cu octahedra that share  a cornercorner with one O(4)Na4Cu2 octahedra,  a cornercorner with one O(1)Na5Cu octahedra,  a cornercorner with one O(2)Na5Cu octahedra, edges with two equivalent O(2)Na5Cu octahedra, edges with three equivalent O(4)Na4Cu2 octahedra, and faces with two equivalent O(1)Na5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), two equivalent Na(3), one Cu(1), and one Cu(2) atom. In the fourth O site, O(4) is bonded to one Na(1), one Na(2), one Na(3), one Na(4), one Cu(1), and one Cu(2) atom to form distorted ONa4Cu2 octahedra that share  a cornercorner with one O(2)Na5Cu octahedra, corners with two equivalent O(4)Na4Cu2 octahedra, corners with six equivalent O(1)Na5Cu octahedra, and edges with three equivalent O(2)Na5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-72°. is represented by the CIF file [CIF]
data_Na7Cu3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.510
_cell_length_b   6.074
_cell_length_c   7.834
_cell_angle_alpha   110.113
_cell_angle_beta   109.080
_cell_angle_gamma   90.294
_symmetry_Int_Tables_number   1
_cell_volume   230.626
_cell_formula_units_Z   1
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  0.282  0.391  0.384  1.0
  Na  Na1  1  0.625  0.165  0.710  1.0
  Na  Na2  1  0.749  0.630  0.057  1.0
  Na  Na3  1  0.000  0.000  0.500  1.0
  Na  Na4  1  0.251  0.370  0.943  1.0
  Na  Na5  1  0.375  0.835  0.290  1.0
  Na  Na6  1  0.718  0.609  0.616  1.0
  Cu  Cu7  1  0.745  0.250  0.239  1.0
  Cu  Cu8  1  0.000  0.000  0.000  1.0
  Cu  Cu9  1  0.255  0.750  0.761  1.0
  O  O10  1  0.574  0.503  0.251  1.0
  O  O11  1  0.648  0.192  0.421  1.0
  O  O12  1  0.878  0.284  0.054  1.0
  O  O13  1  0.961  0.009  0.222  1.0
  O  O14  1  0.039  0.991  0.778  1.0
  O  O15  1  0.122  0.716  0.946  1.0
  O  O16  1  0.352  0.808  0.579  1.0
  O  O17  1  0.426  0.497  0.749  1.0
[/CIF]
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