data_NaVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   7.09
_cell_angle_alpha   158.23
_cell_angle_beta   158.23
_cell_angle_gamma   30.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVCu
_chemical_formula_sum   'Na1 V1 Cu1'
_cell_volume   48.95
_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  Na1  1  0.0  0.0  0.7  1.0
  V  V2  1  0.0  0.0  0.75  1.0
  Cu  Cu0  1  0.0  0.0  0.21  1.0

data_NaVCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   7.09
_cell_angle_alpha   90.0
_cell_angle_beta   105.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaVCu
_chemical_formula_sum   'Na2 V2 Cu2'
_cell_volume   97.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.2  0.5  0.7  1.0
  V  V1  2  0.25  0.5  0.75  1.0
  Cu  Cu2  2  0.21  0.0  0.21  1.0

Na V Cu
Na V Cu 0 1 o o o 2 2 + o + 2 2 o + + 
NaVCu crystallizes in the monoclinic Cm space group. Na(1) is bonded in a single-bond geometry to one V(1) and one Cu(1) atom. The Na(1)-V(1) bond length is 0.36 Å. The Na(1)-Cu(1) bond length is 3.44 Å. V(1) is bonded in a single-bond geometry to one Na(1) and one Cu(1) atom. The V(1)-Cu(1) bond length is 3.29 Å. Cu(1) is bonded to one Na(1), one V(1), and four equivalent Cu(1) atoms to form a mixture of edge and corner-sharing CuNaVCu4 octahedra. The corner-sharing octahedra are not tilted. All Cu(1)-Cu(1) bond lengths are 2.68 Å.