The compound described by Na4CO4 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. In the second Na site, Na(2) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted corner-sharing NaO4 tetrahedra. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(4) atom. In the fourth Na site, Na(4) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing NaO4 trigonal pyramids. C(1) is bonded in a 2-coordinate geometry to one O(1) and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(3), one Na(4), and one C(1) atom. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), and two equivalent Na(4) atoms to form a mixture of edge and corner-sharing ONa5 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Na(2), one Na(3), one Na(4), and two equivalent Na(1) atoms to form a mixture of edge and corner-sharing ONa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Na4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.832
_cell_length_b   3.732
_cell_length_c   7.341
_cell_angle_alpha   101.501
_cell_angle_beta   116.497
_cell_angle_gamma   52.537
_symmetry_Int_Tables_number   1
_cell_volume   151.627
_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  0.749  0.683  0.892  1.0
  Na  Na1  1  0.191  0.961  0.506  1.0
  Na  Na2  1  0.288  0.691  0.914  1.0
  Na  Na3  1  0.741  0.031  0.552  1.0
  C  C4  1  0.262  0.241  0.222  1.0
  O  O5  1  0.085  0.495  0.262  1.0
  O  O6  1  0.398  0.289  0.206  1.0
  O  O7  1  0.965  0.297  0.687  1.0
  O  O8  1  0.530  0.415  0.759  1.0
[/CIF]
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The compound described by Na4CO4 crystallizes in the triclinic P1 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. In the second Na site, Na(2) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted corner-sharing NaO4 tetrahedra. In the third Na site, Na(3) is bonded in a 3-coordinate geometry to one O(2), one O(3), and one O(4) atom. In the fourth Na site, Na(4) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing NaO4 trigonal pyramids. C(1) is bonded in a 2-coordinate geometry to one O(1) and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Na(2), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(3), one Na(4), and one C(1) atom. In the third O site, O(3) is bonded to one Na(1), one Na(2), one Na(3), and two equivalent Na(4) atoms to form a mixture of edge and corner-sharing ONa5 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Na(2), one Na(3), one Na(4), and two equivalent Na(1) atoms to form a mixture of edge and corner-sharing ONa5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Na4CO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.832
_cell_length_b   3.732
_cell_length_c   7.341
_cell_angle_alpha   101.501
_cell_angle_beta   116.497
_cell_angle_gamma   52.537
_symmetry_Int_Tables_number   1
_cell_volume   151.627
_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  0.749  0.683  0.892  1.0
  Na  Na1  1  0.191  0.961  0.506  1.0
  Na  Na2  1  0.288  0.691  0.914  1.0
  Na  Na3  1  0.741  0.031  0.552  1.0
  C  C4  1  0.262  0.241  0.222  1.0
  O  O5  1  0.085  0.495  0.262  1.0
  O  O6  1  0.398  0.289  0.206  1.0
  O  O7  1  0.965  0.297  0.687  1.0
  O  O8  1  0.530  0.415  0.759  1.0
[/CIF]
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