The structure described by Na2CuC3 crystallizes in the tetragonal P4/mbm space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent C(1) and two equivalent C(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded to four equivalent Na(1) and two equivalent C(1) atoms to form edge-sharing CNa4C2 octahedra. In the second C site, C(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Cu(1), and one C(2) atom. is represented by the CIF file [CIF]
data_Na2CuC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.209
_cell_length_b   5.947
_cell_length_c   5.947
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.885
_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
  Na  Na0  1  0.500  0.177  0.677  1.0
  Na  Na1  1  0.500  0.823  0.323  1.0
  Na  Na2  1  0.500  0.323  0.177  1.0
  Na  Na3  1  0.500  0.677  0.823  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  C  C6  1  0.000  0.657  0.157  1.0
  C  C7  1  0.000  0.343  0.843  1.0
  C  C8  1  0.000  0.843  0.657  1.0
  C  C9  1  0.000  0.157  0.343  1.0
  C  C10  1  0.000  0.000  0.500  1.0
  C  C11  1  0.000  0.500  0.000  1.0
[/CIF]
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The structure described by Na2CuC3 crystallizes in the tetragonal P4/mbm space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent C(1) and two equivalent C(2) atoms. Cu(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. There are two inequivalent C sites. In the first C site, C(2) is bonded to four equivalent Na(1) and two equivalent C(1) atoms to form edge-sharing CNa4C2 octahedra. In the second C site, C(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Cu(1), and one C(2) atom. is represented by the CIF file [CIF]
data_Na2CuC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.209
_cell_length_b   5.947
_cell_length_c   5.947
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.885
_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
  Na  Na0  1  0.500  0.177  0.677  1.0
  Na  Na1  1  0.500  0.823  0.323  1.0
  Na  Na2  1  0.500  0.323  0.177  1.0
  Na  Na3  1  0.500  0.677  0.823  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.000  0.000  0.000  1.0
  C  C6  1  0.000  0.657  0.157  1.0
  C  C7  1  0.000  0.343  0.843  1.0
  C  C8  1  0.000  0.843  0.657  1.0
  C  C9  1  0.000  0.157  0.343  1.0
  C  C10  1  0.000  0.000  0.500  1.0
  C  C11  1  0.000  0.500  0.000  1.0
[/CIF]
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