The material described by Na5H3(CO3)4 crystallizes in the triclinic P-1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(9), two equivalent O(7), and three equivalent O(1) atoms. In the second Na site, Na(2) is bonded to one O(7), two equivalent O(2), and two equivalent O(8) atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent Na(4)O6 octahedra and edges with two equivalent Na(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 80-82°. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(5), one O(9), two equivalent O(11), and two equivalent O(3) atoms. In the fourth Na site, Na(4) is bonded to one O(6), one O(8), two equivalent O(10), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Na(5)O6 octahedra, corners with two equivalent Na(2)O5 trigonal bipyramids, and edges with two equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles are 91°. In the fifth Na site, Na(5) is bonded to one O(11), one O(6), two equivalent O(12), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 91°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(6) atoms. In the third H site, H(3) is bonded in a linear geometry to one O(10) and one O(9) atom. In the fourth H site, H(4) is bonded in a linear geometry to two equivalent O(12) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to three equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(3), one C(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(4), one C(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), two equivalent Na(5), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Na(4), one Na(5), one C(2), and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(4), two equivalent Na(2), and one C(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one C(3), and one H(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Na(4), one C(4), and one H(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(5), two equivalent Na(3), and one C(4) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to two equivalent Na(5), one C(4), and one H(4) atom. is represented by the CIF card [CIF]
data_Na5H3(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.405
_cell_length_b   9.991
_cell_length_c   15.457
_cell_angle_alpha   107.733
_cell_angle_beta   95.460
_cell_angle_gamma   94.886
_symmetry_Int_Tables_number   1
_cell_volume   494.864
_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  0.214  0.326  0.952  1.0
  Na  Na1  1  0.786  0.674  0.048  1.0
  Na  Na2  1  0.187  0.819  0.902  1.0
  Na  Na3  1  0.813  0.181  0.098  1.0
  Na  Na4  1  0.817  0.283  0.721  1.0
  Na  Na5  1  0.183  0.717  0.279  1.0
  Na  Na6  1  0.579  0.786  0.693  1.0
  Na  Na7  1  0.421  0.214  0.307  1.0
  Na  Na8  1  0.227  0.252  0.523  1.0
  Na  Na9  1  0.773  0.748  0.477  1.0
  H  H10  1  0.264  0.530  0.748  1.0
  H  H11  1  0.736  0.470  0.252  1.0
  H  H12  1  0.500  0.500  0.500  1.0
  H  H13  1  0.004  0.047  0.757  1.0
  H  H14  1  0.996  0.953  0.243  1.0
  H  H15  1  0.500  0.000  0.500  1.0
  C  C16  1  0.584  0.524  0.861  1.0
  C  C17  1  0.416  0.476  0.139  1.0
  C  C18  1  0.861  0.532  0.623  1.0
  C  C19  1  0.139  0.468  0.377  1.0
  C  C20  1  0.759  0.064  0.870  1.0
  C  C21  1  0.241  0.936  0.130  1.0
  C  C22  1  0.241  0.004  0.618  1.0
  C  C23  1  0.759  0.996  0.382  1.0
  O  O24  1  0.718  0.444  0.903  1.0
  O  O25  1  0.282  0.556  0.097  1.0
  O  O26  1  0.629  0.658  0.891  1.0
  O  O27  1  0.371  0.342  0.109  1.0
  O  O28  1  0.375  0.459  0.778  1.0
  O  O29  1  0.625  0.541  0.222  1.0
  O  O30  1  0.060  0.618  0.697  1.0
  O  O31  1  0.940  0.382  0.303  1.0
  O  O32  1  0.817  0.399  0.606  1.0
  O  O33  1  0.183  0.601  0.394  1.0
  O  O34  1  0.691  0.590  0.565  1.0
  O  O35  1  0.309  0.410  0.435  1.0
  O  O36  1  0.687  0.149  0.944  1.0
  O  O37  1  0.313  0.851  0.056  1.0
  O  O38  1  0.696  0.930  0.846  1.0
  O  O39  1  0.304  0.070  0.154  1.0
  O  O40  1  0.927  0.123  0.812  1.0
  O  O41  1  0.073  0.877  0.188  1.0
  O  O42  1  0.111  0.937  0.671  1.0
  O  O43  1  0.889  0.063  0.329  1.0
  O  O44  1  0.260  0.137  0.637  1.0
  O  O45  1  0.740  0.863  0.363  1.0
  O  O46  1  0.356  0.927  0.541  1.0
  O  O47  1  0.644  0.073  0.459  1.0
[/CIF]
.
The material described by Na5H3(CO3)4 crystallizes in the triclinic P-1 space group. There are five inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one O(2), one O(9), two equivalent O(7), and three equivalent O(1) atoms. In the second Na site, Na(2) is bonded to one O(7), two equivalent O(2), and two equivalent O(8) atoms to form distorted NaO5 trigonal bipyramids that share corners with two equivalent Na(4)O6 octahedra and edges with two equivalent Na(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 80-82°. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to one O(5), one O(9), two equivalent O(11), and two equivalent O(3) atoms. In the fourth Na site, Na(4) is bonded to one O(6), one O(8), two equivalent O(10), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Na(5)O6 octahedra, corners with two equivalent Na(2)O5 trigonal bipyramids, and edges with two equivalent Na(4)O6 octahedra. The corner-sharing octahedral tilt angles are 91°. In the fifth Na site, Na(5) is bonded to one O(11), one O(6), two equivalent O(12), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing NaO6 octahedra. The corner-sharing octahedral tilt angles are 91°. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(3) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to two equivalent O(6) atoms. In the third H site, H(3) is bonded in a linear geometry to one O(10) and one O(9) atom. In the fourth H site, H(4) is bonded in a linear geometry to two equivalent O(12) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to three equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Na(2), and one C(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(3), one C(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(4), one C(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), two equivalent Na(5), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to one Na(4), one Na(5), one C(2), and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Na(4), two equivalent Na(2), and one C(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Na(1), one Na(3), one C(3), and one H(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Na(4), one C(4), and one H(3) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(5), two equivalent Na(3), and one C(4) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to two equivalent Na(5), one C(4), and one H(4) atom. is represented by the CIF card [CIF]
data_Na5H3(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.405
_cell_length_b   9.991
_cell_length_c   15.457
_cell_angle_alpha   107.733
_cell_angle_beta   95.460
_cell_angle_gamma   94.886
_symmetry_Int_Tables_number   1
_cell_volume   494.864
_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  0.214  0.326  0.952  1.0
  Na  Na1  1  0.786  0.674  0.048  1.0
  Na  Na2  1  0.187  0.819  0.902  1.0
  Na  Na3  1  0.813  0.181  0.098  1.0
  Na  Na4  1  0.817  0.283  0.721  1.0
  Na  Na5  1  0.183  0.717  0.279  1.0
  Na  Na6  1  0.579  0.786  0.693  1.0
  Na  Na7  1  0.421  0.214  0.307  1.0
  Na  Na8  1  0.227  0.252  0.523  1.0
  Na  Na9  1  0.773  0.748  0.477  1.0
  H  H10  1  0.264  0.530  0.748  1.0
  H  H11  1  0.736  0.470  0.252  1.0
  H  H12  1  0.500  0.500  0.500  1.0
  H  H13  1  0.004  0.047  0.757  1.0
  H  H14  1  0.996  0.953  0.243  1.0
  H  H15  1  0.500  0.000  0.500  1.0
  C  C16  1  0.584  0.524  0.861  1.0
  C  C17  1  0.416  0.476  0.139  1.0
  C  C18  1  0.861  0.532  0.623  1.0
  C  C19  1  0.139  0.468  0.377  1.0
  C  C20  1  0.759  0.064  0.870  1.0
  C  C21  1  0.241  0.936  0.130  1.0
  C  C22  1  0.241  0.004  0.618  1.0
  C  C23  1  0.759  0.996  0.382  1.0
  O  O24  1  0.718  0.444  0.903  1.0
  O  O25  1  0.282  0.556  0.097  1.0
  O  O26  1  0.629  0.658  0.891  1.0
  O  O27  1  0.371  0.342  0.109  1.0
  O  O28  1  0.375  0.459  0.778  1.0
  O  O29  1  0.625  0.541  0.222  1.0
  O  O30  1  0.060  0.618  0.697  1.0
  O  O31  1  0.940  0.382  0.303  1.0
  O  O32  1  0.817  0.399  0.606  1.0
  O  O33  1  0.183  0.601  0.394  1.0
  O  O34  1  0.691  0.590  0.565  1.0
  O  O35  1  0.309  0.410  0.435  1.0
  O  O36  1  0.687  0.149  0.944  1.0
  O  O37  1  0.313  0.851  0.056  1.0
  O  O38  1  0.696  0.930  0.846  1.0
  O  O39  1  0.304  0.070  0.154  1.0
  O  O40  1  0.927  0.123  0.812  1.0
  O  O41  1  0.073  0.877  0.188  1.0
  O  O42  1  0.111  0.937  0.671  1.0
  O  O43  1  0.889  0.063  0.329  1.0
  O  O44  1  0.260  0.137  0.637  1.0
  O  O45  1  0.740  0.863  0.363  1.0
  O  O46  1  0.356  0.927  0.541  1.0
  O  O47  1  0.644  0.073  0.459  1.0
[/CIF]
.