The material described by Na3CaAl3Si3CO15 crystallizes in the hexagonal P6_3 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Ca(1) is bonded in a 4-coordinate geometry to one C(1) and three equivalent O(1) atoms. Al(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. C(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and three equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Ca(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Al(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Al(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_Na3CaAl3Si3CO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.554
_cell_length_b   12.554
_cell_length_c   5.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   783.317
_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  0.970  0.482  0.693  1.0
  Na  Na1  1  0.030  0.518  0.193  1.0
  Na  Na2  1  0.518  0.488  0.693  1.0
  Na  Na3  1  0.482  0.512  0.193  1.0
  Na  Na4  1  0.488  0.970  0.193  1.0
  Na  Na5  1  0.512  0.030  0.693  1.0
  Ca  Ca6  1  0.333  0.667  0.664  1.0
  Ca  Ca7  1  0.667  0.333  0.164  1.0
  Al  Al8  1  0.004  0.741  0.220  1.0
  Al  Al9  1  0.263  0.004  0.720  1.0
  Al  Al10  1  0.741  0.737  0.720  1.0
  Al  Al11  1  0.259  0.263  0.220  1.0
  Al  Al12  1  0.737  0.996  0.220  1.0
  Al  Al13  1  0.996  0.259  0.720  1.0
  Si  Si14  1  0.269  0.003  0.221  1.0
  Si  Si15  1  0.266  0.269  0.721  1.0
  Si  Si16  1  0.003  0.734  0.721  1.0
  Si  Si17  1  0.997  0.266  0.221  1.0
  Si  Si18  1  0.734  0.731  0.221  1.0
  Si  Si19  1  0.731  0.997  0.721  1.0
  C  C20  1  0.333  0.667  0.277  1.0
  C  C21  1  0.667  0.333  0.777  1.0
  O  O22  1  0.626  0.217  0.804  1.0
  O  O23  1  0.409  0.626  0.304  1.0
  O  O24  1  0.648  0.991  0.959  1.0
  O  O25  1  0.653  0.000  0.480  1.0
  O  O26  1  0.733  0.870  0.716  1.0
  O  O27  1  0.747  0.864  0.227  1.0
  O  O28  1  0.870  0.137  0.216  1.0
  O  O29  1  0.653  0.653  0.980  1.0
  O  O30  1  0.658  0.648  0.459  1.0
  O  O31  1  0.864  0.117  0.727  1.0
  O  O32  1  0.991  0.342  0.459  1.0
  O  O33  1  0.000  0.347  0.980  1.0
  O  O34  1  0.217  0.591  0.304  1.0
  O  O35  1  0.883  0.747  0.727  1.0
  O  O36  1  0.863  0.733  0.216  1.0
  O  O37  1  0.137  0.267  0.716  1.0
  O  O38  1  0.117  0.253  0.227  1.0
  O  O39  1  0.783  0.409  0.804  1.0
  O  O40  1  1.000  0.653  0.480  1.0
  O  O41  1  0.009  0.658  0.959  1.0
  O  O42  1  0.136  0.883  0.227  1.0
  O  O43  1  0.342  0.352  0.959  1.0
  O  O44  1  0.347  0.347  0.480  1.0
  O  O45  1  0.130  0.863  0.716  1.0
  O  O46  1  0.253  0.136  0.727  1.0
  O  O47  1  0.267  0.130  0.216  1.0
  O  O48  1  0.347  1.000  0.980  1.0
  O  O49  1  0.352  0.009  0.459  1.0
  O  O50  1  0.591  0.374  0.804  1.0
  O  O51  1  0.374  0.783  0.304  1.0
[/CIF]
.
The material described by Na3CaAl3Si3CO15 crystallizes in the hexagonal P6_3 space group. Na(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. Ca(1) is bonded in a 4-coordinate geometry to one C(1) and three equivalent O(1) atoms. Al(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form AlO4 tetrahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. C(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and three equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Ca(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Al(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Al(1) and one Si(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Al(1) and one Si(1) atom. is represented by the CIF file [CIF]
data_Na3CaAl3Si3CO15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.554
_cell_length_b   12.554
_cell_length_c   5.739
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   783.317
_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  0.970  0.482  0.693  1.0
  Na  Na1  1  0.030  0.518  0.193  1.0
  Na  Na2  1  0.518  0.488  0.693  1.0
  Na  Na3  1  0.482  0.512  0.193  1.0
  Na  Na4  1  0.488  0.970  0.193  1.0
  Na  Na5  1  0.512  0.030  0.693  1.0
  Ca  Ca6  1  0.333  0.667  0.664  1.0
  Ca  Ca7  1  0.667  0.333  0.164  1.0
  Al  Al8  1  0.004  0.741  0.220  1.0
  Al  Al9  1  0.263  0.004  0.720  1.0
  Al  Al10  1  0.741  0.737  0.720  1.0
  Al  Al11  1  0.259  0.263  0.220  1.0
  Al  Al12  1  0.737  0.996  0.220  1.0
  Al  Al13  1  0.996  0.259  0.720  1.0
  Si  Si14  1  0.269  0.003  0.221  1.0
  Si  Si15  1  0.266  0.269  0.721  1.0
  Si  Si16  1  0.003  0.734  0.721  1.0
  Si  Si17  1  0.997  0.266  0.221  1.0
  Si  Si18  1  0.734  0.731  0.221  1.0
  Si  Si19  1  0.731  0.997  0.721  1.0
  C  C20  1  0.333  0.667  0.277  1.0
  C  C21  1  0.667  0.333  0.777  1.0
  O  O22  1  0.626  0.217  0.804  1.0
  O  O23  1  0.409  0.626  0.304  1.0
  O  O24  1  0.648  0.991  0.959  1.0
  O  O25  1  0.653  0.000  0.480  1.0
  O  O26  1  0.733  0.870  0.716  1.0
  O  O27  1  0.747  0.864  0.227  1.0
  O  O28  1  0.870  0.137  0.216  1.0
  O  O29  1  0.653  0.653  0.980  1.0
  O  O30  1  0.658  0.648  0.459  1.0
  O  O31  1  0.864  0.117  0.727  1.0
  O  O32  1  0.991  0.342  0.459  1.0
  O  O33  1  0.000  0.347  0.980  1.0
  O  O34  1  0.217  0.591  0.304  1.0
  O  O35  1  0.883  0.747  0.727  1.0
  O  O36  1  0.863  0.733  0.216  1.0
  O  O37  1  0.137  0.267  0.716  1.0
  O  O38  1  0.117  0.253  0.227  1.0
  O  O39  1  0.783  0.409  0.804  1.0
  O  O40  1  1.000  0.653  0.480  1.0
  O  O41  1  0.009  0.658  0.959  1.0
  O  O42  1  0.136  0.883  0.227  1.0
  O  O43  1  0.342  0.352  0.959  1.0
  O  O44  1  0.347  0.347  0.480  1.0
  O  O45  1  0.130  0.863  0.716  1.0
  O  O46  1  0.253  0.136  0.727  1.0
  O  O47  1  0.267  0.130  0.216  1.0
  O  O48  1  0.347  1.000  0.980  1.0
  O  O49  1  0.352  0.009  0.459  1.0
  O  O50  1  0.591  0.374  0.804  1.0
  O  O51  1  0.374  0.783  0.304  1.0
[/CIF]
.