The material described by Na4C4Bi2SO16 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(18), one O(2), one O(20), one O(22), one O(26), and one O(3) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-83°. In the second Na site, Na(2) is bonded to one O(1), one O(15), one O(22), one O(23), one O(27), and one O(4) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-83°. In the third Na site, Na(3) is bonded to one O(13), one O(14), one O(26), one O(27), one O(32), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-84°. In the fourth Na site, Na(4) is bonded to one O(12), one O(13), one O(16), one O(4), one O(5), and one O(7) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-85°. In the fifth Na site, Na(5) is bonded to one O(10), one O(21), one O(22), one O(31), one O(5), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-85°. In the sixth Na site, Na(6) is bonded to one O(17), one O(19), one O(21), one O(27), one O(28), and one O(29) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-81°. In the seventh Na site, Na(7) is bonded to one O(1), one O(19), one O(20), one O(25), one O(6), and one O(7) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-83°. In the eighth Na site, Na(8) is bonded to one O(11), one O(14), one O(15), one O(30), one O(31), and one O(6) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-84°. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(16), one O(20), 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(15), and one O(19) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(14), one O(17), and one O(23) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(13), one O(18), and one O(24) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(25), one O(29), and one O(31) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(28), one O(30), and one O(32) atom. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(23), one O(28), one O(29), one O(4), one O(5), and one O(9) atom to form BiO6 octahedra that share  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra, and  an edgeedge with one Na(6)O6 octahedra. In the second Bi site, Bi(2) is bonded to one O(10), one O(2), one O(24), one O(3), one O(30), and one O(31) atom to form BiO6 octahedra that share  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra, and  an edgeedge with one Na(8)O6 octahedra. In the third Bi site, Bi(3) is bonded to one O(13), one O(16), one O(17), one O(19), one O(25), and one O(8) atom to form BiO6 octahedra that share  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra, and  an edgeedge with one Na(7)O6 octahedra. In the fourth Bi site, Bi(4) is bonded to one O(1), one O(14), one O(15), one O(18), one O(20), and one O(32) atom to form BiO6 octahedra that share  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, and  an edgeedge with one Na(8)O6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(12), one O(6), and one O(7) atom to form SO4 tetrahedra that share  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, and  an edgeedge with one Na(8)O6 octahedra. In the second S site, S(2) is bonded to one O(21), one O(22), one O(26), and one O(27) atom to form SO4 tetrahedra that share  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra, and  an edgeedge with one Na(6)O6 octahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(2), one Na(7), one C(1), and one Bi(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one C(2), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), one C(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one C(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(5), one C(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Na(7), one Na(8), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(4), one Na(7), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Na(3), one C(2), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(5), one C(3), and one Bi(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(5), one C(4), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Na(8) and one S(1) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Na(4) and one S(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one C(6), and one Bi(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(8), one C(5), and one Bi(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(2), one Na(8), one C(4), and one Bi(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(4), one C(3), and one Bi(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Na(6), one C(5), and one Bi(3) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(1), one C(6), and one Bi(4) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Na(7), one C(4), and one Bi(3) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(7), one C(3), and one Bi(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Na(5), one Na(6), and one S(2) atom. In the twenty-second O site, O(22) is bonded to one Na(1), one Na(2), one Na(5), and one S(2) atom to form distorted edge-sharing ONa3S trigonal pyramids. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Na(2), one C(5), and one Bi(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one C(6) and one Bi(2) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Na(7), one C(7), and one Bi(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted T-shaped geometry to one Na(1), one Na(3), and one S(2) atom. In the twenty-seventh O site, O(27) is bonded to one Na(2), one Na(3), one Na(6), and one S(2) atom to form edge-sharing ONa3S trigonal pyramids. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Na(6), one C(8), and one Bi(1) atom. In the twenty-ninth O site, O(29) is bonded in a 3-coordinate geometry to one Na(6), one C(7), and one Bi(1) atom. In the thirtieth O site, O(30) is bonded in a 3-coordinate geometry to one Na(8), one C(8), and one Bi(2) atom. In the thirty-first O site, O(31) is bonded in a distorted single-bond geometry to one Na(5), one Na(8), one C(7), and one Bi(2) atom. In the thirty-second O site, O(32) is bonded in a 3-coordinate geometry to one Na(3), one C(8), and one Bi(4) atom. is represented by the CIF card [CIF]
data_Na4Bi2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.209
_cell_length_b   10.281
_cell_length_c   10.290
_cell_angle_alpha   118.933
_cell_angle_beta   118.774
_cell_angle_gamma   90.976
_symmetry_Int_Tables_number   1
_cell_volume   783.352
_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  0.834  0.080  0.761  1.0
  Na  Na1  1  0.836  0.081  0.154  1.0
  Na  Na2  1  0.426  0.077  0.751  1.0
  Na  Na3  1  0.567  0.328  0.252  1.0
  Na  Na4  1  0.826  0.672  0.751  1.0
  Na  Na5  1  0.420  0.662  0.735  1.0
  Na  Na6  1  0.570  0.924  0.254  1.0
  Na  Na7  1  0.186  0.923  0.252  1.0
  Bi  Bi8  1  0.004  0.503  0.499  1.0
  Bi  Bi9  1  0.007  0.496  0.006  1.0
  Bi  Bi10  1  0.495  0.500  0.998  1.0
  Bi  Bi11  1  0.004  1.000  0.506  1.0
  C  C12  1  0.837  0.276  0.557  1.0
  C  C13  1  0.771  0.326  0.057  1.0
  C  C14  1  0.771  0.716  0.439  1.0
  C  C15  1  0.783  0.734  0.062  1.0
  C  C16  1  0.219  0.279  0.559  1.0
  C  C17  1  0.219  0.272  0.935  1.0
  C  C18  1  0.221  0.666  0.937  1.0
  C  C19  1  0.170  0.730  0.444  1.0
  S  S20  1  0.377  0.123  0.252  1.0
  S  S21  1  0.630  0.878  0.758  1.0
  O  O22  1  0.826  0.145  0.428  1.0
  O  O23  1  0.889  0.322  0.039  1.0
  O  O24  1  0.853  0.284  0.693  1.0
  O  O25  1  0.783  0.324  0.188  1.0
  O  O26  1  0.832  0.398  0.547  1.0
  O  O27  1  0.435  0.058  0.366  1.0
  O  O28  1  0.446  0.068  0.140  1.0
  O  O29  1  0.640  0.328  0.941  1.0
  O  O30  1  0.887  0.711  0.565  1.0
  O  O31  1  0.798  0.617  0.948  1.0
  O  O32  1  0.202  0.060  0.135  1.0
  O  O33  1  0.436  0.298  0.367  1.0
  O  O34  1  0.351  0.271  0.943  1.0
  O  O35  1  0.222  0.146  0.549  1.0
  O  O36  1  0.899  0.867  0.189  1.0
  O  O37  1  0.652  0.589  0.301  1.0
  O  O38  1  0.339  0.405  0.687  1.0
  O  O39  1  0.092  0.151  0.807  1.0
  O  O40  1  0.649  0.722  0.050  1.0
  O  O41  1  0.776  0.849  0.450  1.0
  O  O42  1  0.576  0.704  0.646  1.0
  O  O43  1  0.808  0.938  0.876  1.0
  O  O44  1  0.091  0.280  0.440  1.0
  O  O45  1  0.217  0.399  0.054  1.0
  O  O46  1  0.353  0.679  0.064  1.0
  O  O47  1  0.575  0.944  0.647  1.0
  O  O48  1  0.569  0.935  0.876  1.0
  O  O49  1  0.178  0.612  0.459  1.0
  O  O50  1  0.212  0.651  0.800  1.0
  O  O51  1  0.148  0.719  0.303  1.0
  O  O52  1  0.097  0.666  0.946  1.0
  O  O53  1  0.183  0.864  0.572  1.0
[/CIF]
.
The material described by Na4C4Bi2SO16 crystallizes in the triclinic P1 space group. There are eight inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(18), one O(2), one O(20), one O(22), one O(26), and one O(3) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-83°. In the second Na site, Na(2) is bonded to one O(1), one O(15), one O(22), one O(23), one O(27), and one O(4) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-83°. In the third Na site, Na(3) is bonded to one O(13), one O(14), one O(26), one O(27), one O(32), and one O(8) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-84°. In the fourth Na site, Na(4) is bonded to one O(12), one O(13), one O(16), one O(4), one O(5), and one O(7) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-85°. In the fifth Na site, Na(5) is bonded to one O(10), one O(21), one O(22), one O(31), one O(5), and one O(9) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-85°. In the sixth Na site, Na(6) is bonded to one O(17), one O(19), one O(21), one O(27), one O(28), and one O(29) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  an edgeedge with one Bi(1)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra, and  an edgeedge with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-81°. In the seventh Na site, Na(7) is bonded to one O(1), one O(19), one O(20), one O(25), one O(6), and one O(7) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(4)O6 octahedra,  a cornercorner with one Na(6)O6 octahedra,  a cornercorner with one Na(8)O6 octahedra,  an edgeedge with one Bi(3)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-83°. In the eighth Na site, Na(8) is bonded to one O(11), one O(14), one O(15), one O(30), one O(31), and one O(6) atom to form distorted NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one Na(3)O6 octahedra,  a cornercorner with one Na(5)O6 octahedra,  a cornercorner with one Na(7)O6 octahedra,  an edgeedge with one Bi(2)O6 octahedra,  an edgeedge with one Bi(4)O6 octahedra, and  an edgeedge with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-84°. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(16), one O(20), 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(15), and one O(19) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(14), one O(17), and one O(23) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(13), one O(18), and one O(24) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(25), one O(29), and one O(31) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(28), one O(30), and one O(32) atom. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(23), one O(28), one O(29), one O(4), one O(5), and one O(9) atom to form BiO6 octahedra that share  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra, and  an edgeedge with one Na(6)O6 octahedra. In the second Bi site, Bi(2) is bonded to one O(10), one O(2), one O(24), one O(3), one O(30), and one O(31) atom to form BiO6 octahedra that share  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra, and  an edgeedge with one Na(8)O6 octahedra. In the third Bi site, Bi(3) is bonded to one O(13), one O(16), one O(17), one O(19), one O(25), and one O(8) atom to form BiO6 octahedra that share  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(6)O6 octahedra, and  an edgeedge with one Na(7)O6 octahedra. In the fourth Bi site, Bi(4) is bonded to one O(1), one O(14), one O(15), one O(18), one O(20), and one O(32) atom to form BiO6 octahedra that share  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, and  an edgeedge with one Na(8)O6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(12), one O(6), and one O(7) atom to form SO4 tetrahedra that share  an edgeedge with one Na(4)O6 octahedra,  an edgeedge with one Na(7)O6 octahedra, and  an edgeedge with one Na(8)O6 octahedra. In the second S site, S(2) is bonded to one O(21), one O(22), one O(26), and one O(27) atom to form SO4 tetrahedra that share  an edgeedge with one Na(1)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra,  an edgeedge with one Na(3)O6 octahedra,  an edgeedge with one Na(5)O6 octahedra, and  an edgeedge with one Na(6)O6 octahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Na(2), one Na(7), one C(1), and one Bi(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one C(2), and one Bi(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), one C(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(2), one Na(4), one C(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Na(4), one Na(5), one C(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Na(7), one Na(8), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(4), one Na(7), and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Na(3), one C(2), and one Bi(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(5), one C(3), and one Bi(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Na(5), one C(4), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Na(8) and one S(1) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Na(4) and one S(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Na(3), one Na(4), one C(6), and one Bi(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Na(3), one Na(8), one C(5), and one Bi(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Na(2), one Na(8), one C(4), and one Bi(4) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Na(4), one C(3), and one Bi(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Na(6), one C(5), and one Bi(3) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Na(1), one C(6), and one Bi(4) atom. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Na(6), one Na(7), one C(4), and one Bi(3) atom. In the twentieth O site, O(20) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(7), one C(3), and one Bi(4) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Na(5), one Na(6), and one S(2) atom. In the twenty-second O site, O(22) is bonded to one Na(1), one Na(2), one Na(5), and one S(2) atom to form distorted edge-sharing ONa3S trigonal pyramids. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Na(2), one C(5), and one Bi(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted bent 120 degrees geometry to one C(6) and one Bi(2) atom. In the twenty-fifth O site, O(25) is bonded in a 3-coordinate geometry to one Na(7), one C(7), and one Bi(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted T-shaped geometry to one Na(1), one Na(3), and one S(2) atom. In the twenty-seventh O site, O(27) is bonded to one Na(2), one Na(3), one Na(6), and one S(2) atom to form edge-sharing ONa3S trigonal pyramids. In the twenty-eighth O site, O(28) is bonded in a 3-coordinate geometry to one Na(6), one C(8), and one Bi(1) atom. In the twenty-ninth O site, O(29) is bonded in a 3-coordinate geometry to one Na(6), one C(7), and one Bi(1) atom. In the thirtieth O site, O(30) is bonded in a 3-coordinate geometry to one Na(8), one C(8), and one Bi(2) atom. In the thirty-first O site, O(31) is bonded in a distorted single-bond geometry to one Na(5), one Na(8), one C(7), and one Bi(2) atom. In the thirty-second O site, O(32) is bonded in a 3-coordinate geometry to one Na(3), one C(8), and one Bi(4) atom. is represented by the CIF card [CIF]
data_Na4Bi2C4SO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.209
_cell_length_b   10.281
_cell_length_c   10.290
_cell_angle_alpha   118.933
_cell_angle_beta   118.774
_cell_angle_gamma   90.976
_symmetry_Int_Tables_number   1
_cell_volume   783.352
_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  0.834  0.080  0.761  1.0
  Na  Na1  1  0.836  0.081  0.154  1.0
  Na  Na2  1  0.426  0.077  0.751  1.0
  Na  Na3  1  0.567  0.328  0.252  1.0
  Na  Na4  1  0.826  0.672  0.751  1.0
  Na  Na5  1  0.420  0.662  0.735  1.0
  Na  Na6  1  0.570  0.924  0.254  1.0
  Na  Na7  1  0.186  0.923  0.252  1.0
  Bi  Bi8  1  0.004  0.503  0.499  1.0
  Bi  Bi9  1  0.007  0.496  0.006  1.0
  Bi  Bi10  1  0.495  0.500  0.998  1.0
  Bi  Bi11  1  0.004  1.000  0.506  1.0
  C  C12  1  0.837  0.276  0.557  1.0
  C  C13  1  0.771  0.326  0.057  1.0
  C  C14  1  0.771  0.716  0.439  1.0
  C  C15  1  0.783  0.734  0.062  1.0
  C  C16  1  0.219  0.279  0.559  1.0
  C  C17  1  0.219  0.272  0.935  1.0
  C  C18  1  0.221  0.666  0.937  1.0
  C  C19  1  0.170  0.730  0.444  1.0
  S  S20  1  0.377  0.123  0.252  1.0
  S  S21  1  0.630  0.878  0.758  1.0
  O  O22  1  0.826  0.145  0.428  1.0
  O  O23  1  0.889  0.322  0.039  1.0
  O  O24  1  0.853  0.284  0.693  1.0
  O  O25  1  0.783  0.324  0.188  1.0
  O  O26  1  0.832  0.398  0.547  1.0
  O  O27  1  0.435  0.058  0.366  1.0
  O  O28  1  0.446  0.068  0.140  1.0
  O  O29  1  0.640  0.328  0.941  1.0
  O  O30  1  0.887  0.711  0.565  1.0
  O  O31  1  0.798  0.617  0.948  1.0
  O  O32  1  0.202  0.060  0.135  1.0
  O  O33  1  0.436  0.298  0.367  1.0
  O  O34  1  0.351  0.271  0.943  1.0
  O  O35  1  0.222  0.146  0.549  1.0
  O  O36  1  0.899  0.867  0.189  1.0
  O  O37  1  0.652  0.589  0.301  1.0
  O  O38  1  0.339  0.405  0.687  1.0
  O  O39  1  0.092  0.151  0.807  1.0
  O  O40  1  0.649  0.722  0.050  1.0
  O  O41  1  0.776  0.849  0.450  1.0
  O  O42  1  0.576  0.704  0.646  1.0
  O  O43  1  0.808  0.938  0.876  1.0
  O  O44  1  0.091  0.280  0.440  1.0
  O  O45  1  0.217  0.399  0.054  1.0
  O  O46  1  0.353  0.679  0.064  1.0
  O  O47  1  0.575  0.944  0.647  1.0
  O  O48  1  0.569  0.935  0.876  1.0
  O  O49  1  0.178  0.612  0.459  1.0
  O  O50  1  0.212  0.651  0.800  1.0
  O  O51  1  0.148  0.719  0.303  1.0
  O  O52  1  0.097  0.666  0.946  1.0
  O  O53  1  0.183  0.864  0.572  1.0
[/CIF]
.