The crystal structure described by Na4CO4 crystallizes in the monoclinic C2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. C(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   5.301
_cell_length_c   5.461
_cell_angle_alpha   67.065
_cell_angle_beta   67.065
_cell_angle_gamma   60.140
_symmetry_Int_Tables_number   1
_cell_volume   118.825
_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  0.747  0.935  0.533  1.0
  Na  Na1  1  0.065  0.253  0.467  1.0
  Na  Na2  1  0.488  0.777  0.113  1.0
  Na  Na3  1  0.223  0.512  0.887  1.0
  C  C4  1  0.775  0.225  0.000  1.0
  O  O5  1  0.843  0.990  0.889  1.0
  O  O6  1  0.010  0.157  0.111  1.0
  O  O7  1  0.730  0.499  0.787  1.0
  O  O8  1  0.501  0.270  0.213  1.0
[/CIF]
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The crystal structure described by Na4CO4 crystallizes in the monoclinic C2 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. C(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Na(1), two equivalent Na(2), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   5.301
_cell_length_c   5.461
_cell_angle_alpha   67.065
_cell_angle_beta   67.065
_cell_angle_gamma   60.140
_symmetry_Int_Tables_number   1
_cell_volume   118.825
_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  0.747  0.935  0.533  1.0
  Na  Na1  1  0.065  0.253  0.467  1.0
  Na  Na2  1  0.488  0.777  0.113  1.0
  Na  Na3  1  0.223  0.512  0.887  1.0
  C  C4  1  0.775  0.225  0.000  1.0
  O  O5  1  0.843  0.990  0.889  1.0
  O  O6  1  0.010  0.157  0.111  1.0
  O  O7  1  0.730  0.499  0.787  1.0
  O  O8  1  0.501  0.270  0.213  1.0
[/CIF]
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