The material described by NaCBiSO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form BiO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one C(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one C(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Bi(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Na(1), one Bi(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one Bi(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Bi(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBiCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.071
_cell_length_b   5.727
_cell_length_c   9.425
_cell_angle_alpha   89.473
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.630
_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  0.492  0.247  0.794  1.0
  Na  Na1  1  0.992  0.753  0.206  1.0
  Bi  Bi2  1  0.764  0.780  0.649  1.0
  Bi  Bi3  1  0.264  0.220  0.351  1.0
  C  C4  1  0.734  0.722  0.929  1.0
  C  C5  1  0.234  0.278  0.071  1.0
  S  S6  1  0.260  0.722  0.585  1.0
  S  S7  1  0.760  0.278  0.415  1.0
  O  O8  1  0.251  0.306  0.942  1.0
  O  O9  1  0.737  0.933  0.864  1.0
  O  O10  1  0.718  0.544  0.837  1.0
  O  O11  1  0.095  0.790  0.675  1.0
  O  O12  1  0.428  0.842  0.648  1.0
  O  O13  1  0.731  0.197  0.565  1.0
  O  O14  1  0.288  0.466  0.585  1.0
  O  O15  1  0.788  0.534  0.415  1.0
  O  O16  1  0.231  0.803  0.435  1.0
  O  O17  1  0.928  0.158  0.352  1.0
  O  O18  1  0.595  0.210  0.325  1.0
  O  O19  1  0.218  0.456  0.163  1.0
  O  O20  1  0.237  0.067  0.136  1.0
  O  O21  1  0.751  0.694  0.058  1.0
[/CIF]
.
The material described by NaCBiSO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form BiO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra. S(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form SO4 tetrahedra that share corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Na(1), one C(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one C(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Bi(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Na(1), one Bi(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Na(1), one Bi(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Na(1), one Bi(1), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaBiCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.071
_cell_length_b   5.727
_cell_length_c   9.425
_cell_angle_alpha   89.473
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.630
_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  0.492  0.247  0.794  1.0
  Na  Na1  1  0.992  0.753  0.206  1.0
  Bi  Bi2  1  0.764  0.780  0.649  1.0
  Bi  Bi3  1  0.264  0.220  0.351  1.0
  C  C4  1  0.734  0.722  0.929  1.0
  C  C5  1  0.234  0.278  0.071  1.0
  S  S6  1  0.260  0.722  0.585  1.0
  S  S7  1  0.760  0.278  0.415  1.0
  O  O8  1  0.251  0.306  0.942  1.0
  O  O9  1  0.737  0.933  0.864  1.0
  O  O10  1  0.718  0.544  0.837  1.0
  O  O11  1  0.095  0.790  0.675  1.0
  O  O12  1  0.428  0.842  0.648  1.0
  O  O13  1  0.731  0.197  0.565  1.0
  O  O14  1  0.288  0.466  0.585  1.0
  O  O15  1  0.788  0.534  0.415  1.0
  O  O16  1  0.231  0.803  0.435  1.0
  O  O17  1  0.928  0.158  0.352  1.0
  O  O18  1  0.595  0.210  0.325  1.0
  O  O19  1  0.218  0.456  0.163  1.0
  O  O20  1  0.237  0.067  0.136  1.0
  O  O21  1  0.751  0.694  0.058  1.0
[/CIF]
.