The crystal structure described by Na3Ba3(CO3)5 crystallizes in the hexagonal P6_3mc space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ba(1) is bonded in a 10-coordinate geometry to one O(2), two equivalent O(3), three equivalent O(4), and four equivalent O(1) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. In the third C site, C(3) is bonded in a trigonal planar geometry to three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ba(1), and one C(1) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Ba(1), and one C(2) atom. In the third O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one C(3) atom. In the fourth O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Ba(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Na3(CO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.811
_cell_length_b   10.811
_cell_length_c   6.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   691.697
_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
  Ba  Ba0  1  0.841  0.682  0.830  1.0
  Ba  Ba1  1  0.841  0.159  0.830  1.0
  Ba  Ba2  1  0.159  0.318  0.330  1.0
  Ba  Ba3  1  0.318  0.159  0.830  1.0
  Ba  Ba4  1  0.159  0.841  0.330  1.0
  Ba  Ba5  1  0.682  0.841  0.330  1.0
  Na  Na6  1  0.524  0.047  0.527  1.0
  Na  Na7  1  0.524  0.476  0.527  1.0
  Na  Na8  1  0.476  0.953  0.027  1.0
  Na  Na9  1  0.953  0.476  0.527  1.0
  Na  Na10  1  0.476  0.524  0.027  1.0
  Na  Na11  1  0.047  0.524  0.027  1.0
  C  C12  1  0.207  0.414  0.793  1.0
  C  C13  1  0.207  0.793  0.793  1.0
  C  C14  1  0.793  0.586  0.293  1.0
  C  C15  1  0.586  0.793  0.793  1.0
  C  C16  1  0.793  0.207  0.293  1.0
  C  C17  1  0.414  0.207  0.293  1.0
  C  C18  1  0.667  0.333  0.833  1.0
  C  C19  1  0.333  0.667  0.333  1.0
  C  C20  1  0.000  0.000  0.006  1.0
  C  C21  1  1.000  1.000  0.506  1.0
  O  O22  1  0.607  0.700  0.703  1.0
  O  O23  1  0.092  0.393  0.703  1.0
  O  O24  1  0.393  0.300  0.203  1.0
  O  O25  1  0.092  0.700  0.703  1.0
  O  O26  1  0.300  0.908  0.703  1.0
  O  O27  1  0.908  0.607  0.203  1.0
  O  O28  1  0.300  0.393  0.703  1.0
  O  O29  1  0.908  0.300  0.203  1.0
  O  O30  1  0.700  0.092  0.203  1.0
  O  O31  1  0.700  0.607  0.203  1.0
  O  O32  1  0.607  0.908  0.703  1.0
  O  O33  1  0.393  0.092  0.203  1.0
  O  O34  1  0.227  0.455  0.972  1.0
  O  O35  1  0.227  0.772  0.972  1.0
  O  O36  1  0.773  0.545  0.472  1.0
  O  O37  1  0.545  0.772  0.972  1.0
  O  O38  1  0.773  0.228  0.472  1.0
  O  O39  1  0.455  0.228  0.472  1.0
  O  O40  1  0.598  0.195  0.833  1.0
  O  O41  1  0.598  0.402  0.833  1.0
  O  O42  1  0.402  0.805  0.333  1.0
  O  O43  1  0.805  0.402  0.833  1.0
  O  O44  1  0.402  0.598  0.333  1.0
  O  O45  1  0.195  0.598  0.333  1.0
  O  O46  1  0.069  0.138  0.003  1.0
  O  O47  1  0.069  0.931  0.003  1.0
  O  O48  1  0.931  0.862  0.503  1.0
  O  O49  1  0.862  0.931  0.003  1.0
  O  O50  1  0.931  0.069  0.503  1.0
  O  O51  1  0.138  0.069  0.503  1.0
[/CIF]
.
The crystal structure described by Na3Ba3(CO3)5 crystallizes in the hexagonal P6_3mc space group. Na(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ba(1) is bonded in a 10-coordinate geometry to one O(2), two equivalent O(3), three equivalent O(4), and four equivalent O(1) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. In the third C site, C(3) is bonded in a trigonal planar geometry to three equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ba(1), and one C(1) atom. In the second O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Na(1), two equivalent Ba(1), and one C(2) atom. In the third O site, O(4) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one C(3) atom. In the fourth O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Ba(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Na3(CO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.811
_cell_length_b   10.811
_cell_length_c   6.833
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   691.697
_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
  Ba  Ba0  1  0.841  0.682  0.830  1.0
  Ba  Ba1  1  0.841  0.159  0.830  1.0
  Ba  Ba2  1  0.159  0.318  0.330  1.0
  Ba  Ba3  1  0.318  0.159  0.830  1.0
  Ba  Ba4  1  0.159  0.841  0.330  1.0
  Ba  Ba5  1  0.682  0.841  0.330  1.0
  Na  Na6  1  0.524  0.047  0.527  1.0
  Na  Na7  1  0.524  0.476  0.527  1.0
  Na  Na8  1  0.476  0.953  0.027  1.0
  Na  Na9  1  0.953  0.476  0.527  1.0
  Na  Na10  1  0.476  0.524  0.027  1.0
  Na  Na11  1  0.047  0.524  0.027  1.0
  C  C12  1  0.207  0.414  0.793  1.0
  C  C13  1  0.207  0.793  0.793  1.0
  C  C14  1  0.793  0.586  0.293  1.0
  C  C15  1  0.586  0.793  0.793  1.0
  C  C16  1  0.793  0.207  0.293  1.0
  C  C17  1  0.414  0.207  0.293  1.0
  C  C18  1  0.667  0.333  0.833  1.0
  C  C19  1  0.333  0.667  0.333  1.0
  C  C20  1  0.000  0.000  0.006  1.0
  C  C21  1  1.000  1.000  0.506  1.0
  O  O22  1  0.607  0.700  0.703  1.0
  O  O23  1  0.092  0.393  0.703  1.0
  O  O24  1  0.393  0.300  0.203  1.0
  O  O25  1  0.092  0.700  0.703  1.0
  O  O26  1  0.300  0.908  0.703  1.0
  O  O27  1  0.908  0.607  0.203  1.0
  O  O28  1  0.300  0.393  0.703  1.0
  O  O29  1  0.908  0.300  0.203  1.0
  O  O30  1  0.700  0.092  0.203  1.0
  O  O31  1  0.700  0.607  0.203  1.0
  O  O32  1  0.607  0.908  0.703  1.0
  O  O33  1  0.393  0.092  0.203  1.0
  O  O34  1  0.227  0.455  0.972  1.0
  O  O35  1  0.227  0.772  0.972  1.0
  O  O36  1  0.773  0.545  0.472  1.0
  O  O37  1  0.545  0.772  0.972  1.0
  O  O38  1  0.773  0.228  0.472  1.0
  O  O39  1  0.455  0.228  0.472  1.0
  O  O40  1  0.598  0.195  0.833  1.0
  O  O41  1  0.598  0.402  0.833  1.0
  O  O42  1  0.402  0.805  0.333  1.0
  O  O43  1  0.805  0.402  0.833  1.0
  O  O44  1  0.402  0.598  0.333  1.0
  O  O45  1  0.195  0.598  0.333  1.0
  O  O46  1  0.069  0.138  0.003  1.0
  O  O47  1  0.069  0.931  0.003  1.0
  O  O48  1  0.931  0.862  0.503  1.0
  O  O49  1  0.862  0.931  0.003  1.0
  O  O50  1  0.931  0.069  0.503  1.0
  O  O51  1  0.138  0.069  0.503  1.0
[/CIF]
.