The compound described by Na8Al6Si6CO27 is Chalcostibite-derived structured and crystallizes in the trigonal R3 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form NaO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the third Na site, Na(3) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. In the fourth Na site, Na(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(9) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(4), one O(7), and one O(9) atom to form AlO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Na(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(6), one O(8), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. There are nine inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Al(1), and one Si(2) atom. In the second O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one C(1) atom. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Al(1), and one Si(1) atom. In the fourth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Al(2), and one Si(1) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Al(2), and one Si(2) atom. In the sixth O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Al(1), and one Si(1) atom. In the seventh O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Al(2), and one Si(2) atom. In the eighth O site, O(9) is bonded in a 3-coordinate geometry to one Na(4), one Al(1), and one Si(2) atom. In the ninth O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(3), one Al(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na8Al6Si6CO27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.992
_cell_length_b   8.992
_cell_length_c   8.992
_cell_angle_alpha   90.028
_cell_angle_beta   90.028
_cell_angle_gamma   90.028
_symmetry_Int_Tables_number   1
_cell_volume   727.156
_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  0.175  0.175  0.819  1.0
  Na  Na1  1  0.819  0.175  0.175  1.0
  Na  Na2  1  0.779  0.229  0.779  1.0
  Na  Na3  1  0.299  0.299  0.299  1.0
  Na  Na4  1  0.229  0.779  0.779  1.0
  Na  Na5  1  0.779  0.779  0.229  1.0
  Na  Na6  1  0.800  0.800  0.800  1.0
  Na  Na7  1  0.175  0.819  0.175  1.0
  Al  Al8  1  0.500  0.003  0.750  1.0
  Al  Al9  1  0.498  0.000  0.252  1.0
  Al  Al10  1  0.000  0.252  0.498  1.0
  Al  Al11  1  0.252  0.498  0.000  1.0
  Al  Al12  1  0.750  0.500  0.003  1.0
  Al  Al13  1  0.003  0.750  0.500  1.0
  Si  Si14  1  0.249  0.003  0.499  1.0
  Si  Si15  1  0.751  0.002  0.501  1.0
  Si  Si16  1  0.499  0.249  0.003  1.0
  Si  Si17  1  0.002  0.501  0.751  1.0
  Si  Si18  1  0.003  0.499  0.249  1.0
  Si  Si19  1  0.501  0.751  0.002  1.0
  C  C20  1  0.994  0.994  0.994  1.0
  O  O21  1  0.347  0.059  0.358  1.0
  O  O22  1  0.657  0.051  0.647  1.0
  O  O23  1  0.936  0.113  0.936  1.0
  O  O24  1  0.445  0.151  0.862  1.0
  O  O25  1  0.555  0.150  0.143  1.0
  O  O26  1  0.150  0.143  0.555  1.0
  O  O27  1  0.850  0.142  0.445  1.0
  O  O28  1  0.639  0.351  0.952  1.0
  O  O29  1  0.358  0.347  0.059  1.0
  O  O30  1  0.950  0.362  0.649  1.0
  O  O31  1  0.059  0.358  0.347  1.0
  O  O32  1  0.142  0.445  0.850  1.0
  O  O33  1  0.862  0.445  0.151  1.0
  O  O34  1  0.861  0.552  0.852  1.0
  O  O35  1  0.143  0.555  0.150  1.0
  O  O36  1  0.952  0.639  0.351  1.0
  O  O37  1  0.051  0.647  0.657  1.0
  O  O38  1  0.362  0.649  0.950  1.0
  O  O39  1  0.647  0.657  0.051  1.0
  O  O40  1  0.151  0.862  0.445  1.0
  O  O41  1  0.852  0.861  0.552  1.0
  O  O42  1  0.552  0.852  0.861  1.0
  O  O43  1  0.445  0.850  0.142  1.0
  O  O44  1  0.936  0.936  0.113  1.0
  O  O45  1  0.113  0.936  0.936  1.0
  O  O46  1  0.351  0.952  0.639  1.0
  O  O47  1  0.649  0.950  0.362  1.0
[/CIF]
.
The compound described by Na8Al6Si6CO27 is Chalcostibite-derived structured and crystallizes in the trigonal R3 space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded to one O(2), one O(3), one O(7), and one O(8) atom to form NaO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the third Na site, Na(3) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. In the fourth Na site, Na(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(9) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(4), one O(7), and one O(9) atom to form AlO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Na(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Na(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(6), one O(8), and one O(9) atom to form SiO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. There are nine inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Al(1), and one Si(2) atom. In the second O site, O(3) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one C(1) atom. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Al(1), and one Si(1) atom. In the fourth O site, O(5) is bonded in a 3-coordinate geometry to one Na(1), one Al(2), and one Si(1) atom. In the fifth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Al(2), and one Si(2) atom. In the sixth O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Al(1), and one Si(1) atom. In the seventh O site, O(8) is bonded in a 3-coordinate geometry to one Na(2), one Al(2), and one Si(2) atom. In the eighth O site, O(9) is bonded in a 3-coordinate geometry to one Na(4), one Al(1), and one Si(2) atom. In the ninth O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(3), one Al(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na8Al6Si6CO27
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.992
_cell_length_b   8.992
_cell_length_c   8.992
_cell_angle_alpha   90.028
_cell_angle_beta   90.028
_cell_angle_gamma   90.028
_symmetry_Int_Tables_number   1
_cell_volume   727.156
_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  0.175  0.175  0.819  1.0
  Na  Na1  1  0.819  0.175  0.175  1.0
  Na  Na2  1  0.779  0.229  0.779  1.0
  Na  Na3  1  0.299  0.299  0.299  1.0
  Na  Na4  1  0.229  0.779  0.779  1.0
  Na  Na5  1  0.779  0.779  0.229  1.0
  Na  Na6  1  0.800  0.800  0.800  1.0
  Na  Na7  1  0.175  0.819  0.175  1.0
  Al  Al8  1  0.500  0.003  0.750  1.0
  Al  Al9  1  0.498  0.000  0.252  1.0
  Al  Al10  1  0.000  0.252  0.498  1.0
  Al  Al11  1  0.252  0.498  0.000  1.0
  Al  Al12  1  0.750  0.500  0.003  1.0
  Al  Al13  1  0.003  0.750  0.500  1.0
  Si  Si14  1  0.249  0.003  0.499  1.0
  Si  Si15  1  0.751  0.002  0.501  1.0
  Si  Si16  1  0.499  0.249  0.003  1.0
  Si  Si17  1  0.002  0.501  0.751  1.0
  Si  Si18  1  0.003  0.499  0.249  1.0
  Si  Si19  1  0.501  0.751  0.002  1.0
  C  C20  1  0.994  0.994  0.994  1.0
  O  O21  1  0.347  0.059  0.358  1.0
  O  O22  1  0.657  0.051  0.647  1.0
  O  O23  1  0.936  0.113  0.936  1.0
  O  O24  1  0.445  0.151  0.862  1.0
  O  O25  1  0.555  0.150  0.143  1.0
  O  O26  1  0.150  0.143  0.555  1.0
  O  O27  1  0.850  0.142  0.445  1.0
  O  O28  1  0.639  0.351  0.952  1.0
  O  O29  1  0.358  0.347  0.059  1.0
  O  O30  1  0.950  0.362  0.649  1.0
  O  O31  1  0.059  0.358  0.347  1.0
  O  O32  1  0.142  0.445  0.850  1.0
  O  O33  1  0.862  0.445  0.151  1.0
  O  O34  1  0.861  0.552  0.852  1.0
  O  O35  1  0.143  0.555  0.150  1.0
  O  O36  1  0.952  0.639  0.351  1.0
  O  O37  1  0.051  0.647  0.657  1.0
  O  O38  1  0.362  0.649  0.950  1.0
  O  O39  1  0.647  0.657  0.051  1.0
  O  O40  1  0.151  0.862  0.445  1.0
  O  O41  1  0.852  0.861  0.552  1.0
  O  O42  1  0.552  0.852  0.861  1.0
  O  O43  1  0.445  0.850  0.142  1.0
  O  O44  1  0.936  0.936  0.113  1.0
  O  O45  1  0.113  0.936  0.936  1.0
  O  O46  1  0.351  0.952  0.639  1.0
  O  O47  1  0.649  0.950  0.362  1.0
[/CIF]
.