The structure described by Na2CrCSO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted CrO6 octahedra that share corners with four 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. S(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form SO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Cr(1), and one C(1) atom to form distorted edge-sharing ONa2CrC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Na(1), one Cr(1), and one C(1) atom to form distorted edge-sharing ONa2CrC tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cr(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Cr(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 Cr(1), and one S(1) atom. is represented by the CIF card [CIF]
data_Na2CrCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.211
_cell_length_b   8.941
_cell_length_c   7.237
_cell_angle_alpha   90.010
_cell_angle_beta   89.989
_cell_angle_gamma   87.783
_symmetry_Int_Tables_number   1
_cell_volume   336.976
_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  0.233  0.211  0.999  1.0
  Na  Na1  1  0.233  0.211  0.501  1.0
  Na  Na2  1  0.767  0.789  0.499  1.0
  Na  Na3  1  0.767  0.789  0.001  1.0
  Cr  Cr4  1  0.225  0.639  0.250  1.0
  Cr  Cr5  1  0.775  0.361  0.750  1.0
  C  C6  1  0.722  0.084  0.750  1.0
  C  C7  1  0.278  0.916  0.250  1.0
  S  S8  1  0.731  0.410  0.250  1.0
  S  S9  1  0.269  0.590  0.750  1.0
  O  O10  1  0.303  0.055  0.250  1.0
  O  O11  1  0.696  0.944  0.750  1.0
  O  O12  1  0.947  0.147  0.750  1.0
  O  O13  1  0.053  0.853  0.250  1.0
  O  O14  1  0.525  0.182  0.750  1.0
  O  O15  1  0.475  0.818  0.250  1.0
  O  O16  1  0.156  0.437  0.750  1.0
  O  O17  1  0.844  0.563  0.250  1.0
  O  O18  1  0.441  0.433  0.250  1.0
  O  O19  1  0.559  0.567  0.750  1.0
  O  O20  1  0.812  0.327  0.082  1.0
  O  O21  1  0.812  0.327  0.418  1.0
  O  O22  1  0.188  0.673  0.582  1.0
  O  O23  1  0.188  0.673  0.918  1.0
[/CIF]
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The structure described by Na2CrCSO7 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted CrO6 octahedra that share corners with four 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. S(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form SO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one C(1) atom. In the second O site, O(2) is bonded to two equivalent Na(1), one Cr(1), and one C(1) atom to form distorted edge-sharing ONa2CrC trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Na(1), one Cr(1), and one C(1) atom to form distorted edge-sharing ONa2CrC tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Cr(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Cr(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 Cr(1), and one S(1) atom. is represented by the CIF card [CIF]
data_Na2CrCSO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.211
_cell_length_b   8.941
_cell_length_c   7.237
_cell_angle_alpha   90.010
_cell_angle_beta   89.989
_cell_angle_gamma   87.783
_symmetry_Int_Tables_number   1
_cell_volume   336.976
_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  0.233  0.211  0.999  1.0
  Na  Na1  1  0.233  0.211  0.501  1.0
  Na  Na2  1  0.767  0.789  0.499  1.0
  Na  Na3  1  0.767  0.789  0.001  1.0
  Cr  Cr4  1  0.225  0.639  0.250  1.0
  Cr  Cr5  1  0.775  0.361  0.750  1.0
  C  C6  1  0.722  0.084  0.750  1.0
  C  C7  1  0.278  0.916  0.250  1.0
  S  S8  1  0.731  0.410  0.250  1.0
  S  S9  1  0.269  0.590  0.750  1.0
  O  O10  1  0.303  0.055  0.250  1.0
  O  O11  1  0.696  0.944  0.750  1.0
  O  O12  1  0.947  0.147  0.750  1.0
  O  O13  1  0.053  0.853  0.250  1.0
  O  O14  1  0.525  0.182  0.750  1.0
  O  O15  1  0.475  0.818  0.250  1.0
  O  O16  1  0.156  0.437  0.750  1.0
  O  O17  1  0.844  0.563  0.250  1.0
  O  O18  1  0.441  0.433  0.250  1.0
  O  O19  1  0.559  0.567  0.750  1.0
  O  O20  1  0.812  0.327  0.082  1.0
  O  O21  1  0.812  0.327  0.418  1.0
  O  O22  1  0.188  0.673  0.582  1.0
  O  O23  1  0.188  0.673  0.918  1.0
[/CIF]
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