The material structure described by NaCu crystallizes in the hexagonal P-6m2 space group. Na(1) is bonded to six equivalent Na(1) and six equivalent Cu(1) atoms to form distorted NaNa6Cu6 cuboctahedra that share corners with eighteen equivalent Na(1)Na6Cu6 cuboctahedra, edges with six equivalent Na(1)Na6Cu6 cuboctahedra, edges with twelve equivalent Cu(1)Na6Cu6 cuboctahedra, faces with eight equivalent Na(1)Na6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Na6Cu6 cuboctahedra. Cu(1) is bonded to six equivalent Na(1) and six equivalent Cu(1) atoms to form distorted CuNa6Cu6 cuboctahedra that share corners with eighteen equivalent Cu(1)Na6Cu6 cuboctahedra, edges with six equivalent Cu(1)Na6Cu6 cuboctahedra, edges with twelve equivalent Na(1)Na6Cu6 cuboctahedra, faces with eight equivalent Cu(1)Na6Cu6 cuboctahedra, and faces with twelve equivalent Na(1)Na6Cu6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.837
_cell_length_b   2.837
_cell_length_c   4.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   34.565
_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  0.667  0.333  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by NaCu crystallizes in the hexagonal P-6m2 space group. Na(1) is bonded to six equivalent Na(1) and six equivalent Cu(1) atoms to form distorted NaNa6Cu6 cuboctahedra that share corners with eighteen equivalent Na(1)Na6Cu6 cuboctahedra, edges with six equivalent Na(1)Na6Cu6 cuboctahedra, edges with twelve equivalent Cu(1)Na6Cu6 cuboctahedra, faces with eight equivalent Na(1)Na6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Na6Cu6 cuboctahedra. Cu(1) is bonded to six equivalent Na(1) and six equivalent Cu(1) atoms to form distorted CuNa6Cu6 cuboctahedra that share corners with eighteen equivalent Cu(1)Na6Cu6 cuboctahedra, edges with six equivalent Cu(1)Na6Cu6 cuboctahedra, edges with twelve equivalent Na(1)Na6Cu6 cuboctahedra, faces with eight equivalent Cu(1)Na6Cu6 cuboctahedra, and faces with twelve equivalent Na(1)Na6Cu6 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.837
_cell_length_b   2.837
_cell_length_c   4.960
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   34.565
_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  0.667  0.333  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.500  1.0
[/CIF]
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