The crystal structure described by Na2BaV2CuO8 crystallizes in the monoclinic C2/c space group. Na(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form NaO5 trigonal bipyramids that share corners with five equivalent V(1)O4 tetrahedra and  an edgeedge with one Na(1)O5 trigonal bipyramid. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with five equivalent Na(1)O5 trigonal bipyramids. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), two equivalent Ba(1), and one V(1) atom. In the second O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Na(1), one Ba(1), and one V(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Ba(1), one V(1), and one Cu(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Ba(1), one V(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_BaNa2V2CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.579
_cell_length_b   5.579
_cell_length_c   14.191
_cell_angle_alpha   87.016
_cell_angle_beta   87.016
_cell_angle_gamma   63.274
_symmetry_Int_Tables_number   1
_cell_volume   393.821
_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
  Ba  Ba0  1  0.872  0.128  0.750  1.0
  Ba  Ba1  1  0.128  0.872  0.250  1.0
  Na  Na2  1  0.261  0.421  0.589  1.0
  Na  Na3  1  0.739  0.579  0.411  1.0
  Na  Na4  1  0.579  0.739  0.911  1.0
  Na  Na5  1  0.421  0.261  0.089  1.0
  V  V6  1  0.589  0.770  0.628  1.0
  V  V7  1  0.770  0.589  0.128  1.0
  V  V8  1  0.230  0.411  0.872  1.0
  V  V9  1  0.411  0.230  0.372  1.0
  Cu  Cu10  1  0.000  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.758  0.128  0.393  1.0
  O  O13  1  0.872  0.242  0.107  1.0
  O  O14  1  0.242  0.872  0.607  1.0
  O  O15  1  0.128  0.758  0.893  1.0
  O  O16  1  0.301  0.994  0.416  1.0
  O  O17  1  0.006  0.699  0.084  1.0
  O  O18  1  0.699  0.006  0.584  1.0
  O  O19  1  0.994  0.301  0.916  1.0
  O  O20  1  0.356  0.278  0.253  1.0
  O  O21  1  0.722  0.644  0.247  1.0
  O  O22  1  0.644  0.722  0.747  1.0
  O  O23  1  0.278  0.356  0.753  1.0
  O  O24  1  0.791  0.469  0.577  1.0
  O  O25  1  0.531  0.209  0.923  1.0
  O  O26  1  0.469  0.791  0.077  1.0
  O  O27  1  0.209  0.531  0.423  1.0
[/CIF]
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The crystal structure described by Na2BaV2CuO8 crystallizes in the monoclinic C2/c space group. Na(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form NaO5 trigonal bipyramids that share corners with five equivalent V(1)O4 tetrahedra and  an edgeedge with one Na(1)O5 trigonal bipyramid. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share corners with five equivalent Na(1)O5 trigonal bipyramids. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), two equivalent Ba(1), and one V(1) atom. In the second O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Na(1), one Ba(1), and one V(1) atom. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Ba(1), one V(1), and one Cu(1) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), one Ba(1), one V(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_BaNa2V2CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.579
_cell_length_b   5.579
_cell_length_c   14.191
_cell_angle_alpha   87.016
_cell_angle_beta   87.016
_cell_angle_gamma   63.274
_symmetry_Int_Tables_number   1
_cell_volume   393.821
_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
  Ba  Ba0  1  0.872  0.128  0.750  1.0
  Ba  Ba1  1  0.128  0.872  0.250  1.0
  Na  Na2  1  0.261  0.421  0.589  1.0
  Na  Na3  1  0.739  0.579  0.411  1.0
  Na  Na4  1  0.579  0.739  0.911  1.0
  Na  Na5  1  0.421  0.261  0.089  1.0
  V  V6  1  0.589  0.770  0.628  1.0
  V  V7  1  0.770  0.589  0.128  1.0
  V  V8  1  0.230  0.411  0.872  1.0
  V  V9  1  0.411  0.230  0.372  1.0
  Cu  Cu10  1  0.000  0.000  0.000  1.0
  Cu  Cu11  1  0.000  0.000  0.500  1.0
  O  O12  1  0.758  0.128  0.393  1.0
  O  O13  1  0.872  0.242  0.107  1.0
  O  O14  1  0.242  0.872  0.607  1.0
  O  O15  1  0.128  0.758  0.893  1.0
  O  O16  1  0.301  0.994  0.416  1.0
  O  O17  1  0.006  0.699  0.084  1.0
  O  O18  1  0.699  0.006  0.584  1.0
  O  O19  1  0.994  0.301  0.916  1.0
  O  O20  1  0.356  0.278  0.253  1.0
  O  O21  1  0.722  0.644  0.247  1.0
  O  O22  1  0.644  0.722  0.747  1.0
  O  O23  1  0.278  0.356  0.753  1.0
  O  O24  1  0.791  0.469  0.577  1.0
  O  O25  1  0.531  0.209  0.923  1.0
  O  O26  1  0.469  0.791  0.077  1.0
  O  O27  1  0.209  0.531  0.423  1.0
[/CIF]
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