The crystal structure described by NaCu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing NaCu12 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Na(1) atoms to form a mixture of distorted edge and corner-sharing CuNa4 cuboctahedra. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to four equivalent Na(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.741
_cell_length_b   4.741
_cell_length_c   4.741
_cell_angle_alpha   132.745
_cell_angle_beta   132.745
_cell_angle_gamma   69.055
_symmetry_Int_Tables_number   1
_cell_volume   56.402
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by NaCu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Na(1) is bonded to four equivalent Cu(2) and eight equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing NaCu12 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent Na(1) atoms to form a mixture of distorted edge and corner-sharing CuNa4 cuboctahedra. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to four equivalent Na(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.741
_cell_length_b   4.741
_cell_length_c   4.741
_cell_angle_alpha   132.745
_cell_angle_beta   132.745
_cell_angle_gamma   69.055
_symmetry_Int_Tables_number   1
_cell_volume   56.402
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  Cu  Cu3  1  0.500  0.500  0.000  1.0
[/CIF]
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