The compound described by NaCSbSO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted NaO6 octahedra that share corners with three equivalent S(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. 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 three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. 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 Sb(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 Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sb(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 Sb(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Sb(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSbCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.806
_cell_length_b   5.844
_cell_length_c   9.027
_cell_angle_alpha   85.511
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.970
_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  0.499  0.244  0.784  1.0
  Na  Na1  1  1.000  0.756  0.216  1.0
  Sb  Sb2  1  0.757  0.794  0.637  1.0
  Sb  Sb3  1  0.257  0.206  0.363  1.0
  C  C4  1  0.738  0.723  0.919  1.0
  C  C5  1  0.238  0.277  0.081  1.0
  S  S6  1  0.257  0.727  0.598  1.0
  S  S7  1  0.757  0.273  0.402  1.0
  O  O8  1  0.253  0.305  0.946  1.0
  O  O9  1  0.746  0.933  0.841  1.0
  O  O10  1  0.716  0.556  0.826  1.0
  O  O11  1  0.081  0.782  0.689  1.0
  O  O12  1  0.420  0.875  0.651  1.0
  O  O13  1  0.720  0.204  0.564  1.0
  O  O14  1  0.309  0.484  0.616  1.0
  O  O15  1  0.809  0.516  0.384  1.0
  O  O16  1  0.220  0.796  0.436  1.0
  O  O17  1  0.920  0.125  0.349  1.0
  O  O18  1  0.581  0.218  0.311  1.0
  O  O19  1  0.216  0.444  0.174  1.0
  O  O20  1  0.246  0.067  0.159  1.0
  O  O21  1  0.753  0.695  0.054  1.0
[/CIF]
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The compound described by NaCSbSO7 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted NaO6 octahedra that share corners with three equivalent S(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Sb(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. 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 three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. 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 Sb(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 Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Sb(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 Sb(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Sb(1), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSbCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.806
_cell_length_b   5.844
_cell_length_c   9.027
_cell_angle_alpha   85.511
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.970
_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  0.499  0.244  0.784  1.0
  Na  Na1  1  1.000  0.756  0.216  1.0
  Sb  Sb2  1  0.757  0.794  0.637  1.0
  Sb  Sb3  1  0.257  0.206  0.363  1.0
  C  C4  1  0.738  0.723  0.919  1.0
  C  C5  1  0.238  0.277  0.081  1.0
  S  S6  1  0.257  0.727  0.598  1.0
  S  S7  1  0.757  0.273  0.402  1.0
  O  O8  1  0.253  0.305  0.946  1.0
  O  O9  1  0.746  0.933  0.841  1.0
  O  O10  1  0.716  0.556  0.826  1.0
  O  O11  1  0.081  0.782  0.689  1.0
  O  O12  1  0.420  0.875  0.651  1.0
  O  O13  1  0.720  0.204  0.564  1.0
  O  O14  1  0.309  0.484  0.616  1.0
  O  O15  1  0.809  0.516  0.384  1.0
  O  O16  1  0.220  0.796  0.436  1.0
  O  O17  1  0.920  0.125  0.349  1.0
  O  O18  1  0.581  0.218  0.311  1.0
  O  O19  1  0.216  0.444  0.174  1.0
  O  O20  1  0.246  0.067  0.159  1.0
  O  O21  1  0.753  0.695  0.054  1.0
[/CIF]
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