The crystal structure described by KNaS2O7 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(7), two equivalent O(5), and three equivalent O(6) atoms. Na(1) is bonded to one O(2), one O(4), one O(5), one O(7), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with four equivalent S(2)O4 tetrahedra, and  an edgeedge with one Na(1)O6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and  a cornercorner with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second S site, S(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form SO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra and  a cornercorner with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-61°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one S(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent Na(1), and one S(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Na(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Na(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one Na(1), and one S(2) atom. is represented by the CIF card [CIF]
data_KNaS2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.988
_cell_length_b   7.348
_cell_length_c   7.597
_cell_angle_alpha   101.503
_cell_angle_beta   90.126
_cell_angle_gamma   94.396
_symmetry_Int_Tables_number   1
_cell_volume   326.493
_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
  K  K0  1  0.226  0.777  0.431  1.0
  K  K1  1  0.774  0.223  0.569  1.0
  Na  Na2  1  0.208  0.644  0.898  1.0
  Na  Na3  1  0.792  0.356  0.102  1.0
  S  S4  1  0.716  0.725  0.697  1.0
  S  S5  1  0.724  0.826  0.098  1.0
  S  S6  1  0.276  0.174  0.902  1.0
  S  S7  1  0.284  0.275  0.303  1.0
  O  O8  1  0.739  0.876  0.893  1.0
  O  O9  1  0.500  0.261  0.887  1.0
  O  O10  1  0.901  0.699  0.108  1.0
  O  O11  1  0.503  0.376  0.307  1.0
  O  O12  1  0.261  0.124  0.107  1.0
  O  O13  1  0.500  0.739  0.113  1.0
  O  O14  1  0.099  0.301  0.892  1.0
  O  O15  1  0.497  0.624  0.693  1.0
  O  O16  1  0.097  0.394  0.305  1.0
  O  O17  1  0.260  0.149  0.428  1.0
  O  O18  1  0.232  0.988  0.795  1.0
  O  O19  1  0.740  0.851  0.572  1.0
  O  O20  1  0.903  0.606  0.695  1.0
  O  O21  1  0.768  0.012  0.205  1.0
[/CIF]
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The crystal structure described by KNaS2O7 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(4), one O(7), two equivalent O(5), and three equivalent O(6) atoms. Na(1) is bonded to one O(2), one O(4), one O(5), one O(7), and two equivalent O(3) atoms to form distorted NaO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with four equivalent S(2)O4 tetrahedra, and  an edgeedge with one Na(1)O6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and  a cornercorner with one S(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second S site, S(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form SO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra and  a cornercorner with one S(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-61°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Na(1), and one S(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), two equivalent Na(1), and one S(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Na(1), and one S(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent K(1), one Na(1), and one S(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to three equivalent K(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one Na(1), and one S(2) atom. is represented by the CIF card [CIF]
data_KNaS2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.988
_cell_length_b   7.348
_cell_length_c   7.597
_cell_angle_alpha   101.503
_cell_angle_beta   90.126
_cell_angle_gamma   94.396
_symmetry_Int_Tables_number   1
_cell_volume   326.493
_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
  K  K0  1  0.226  0.777  0.431  1.0
  K  K1  1  0.774  0.223  0.569  1.0
  Na  Na2  1  0.208  0.644  0.898  1.0
  Na  Na3  1  0.792  0.356  0.102  1.0
  S  S4  1  0.716  0.725  0.697  1.0
  S  S5  1  0.724  0.826  0.098  1.0
  S  S6  1  0.276  0.174  0.902  1.0
  S  S7  1  0.284  0.275  0.303  1.0
  O  O8  1  0.739  0.876  0.893  1.0
  O  O9  1  0.500  0.261  0.887  1.0
  O  O10  1  0.901  0.699  0.108  1.0
  O  O11  1  0.503  0.376  0.307  1.0
  O  O12  1  0.261  0.124  0.107  1.0
  O  O13  1  0.500  0.739  0.113  1.0
  O  O14  1  0.099  0.301  0.892  1.0
  O  O15  1  0.497  0.624  0.693  1.0
  O  O16  1  0.097  0.394  0.305  1.0
  O  O17  1  0.260  0.149  0.428  1.0
  O  O18  1  0.232  0.988  0.795  1.0
  O  O19  1  0.740  0.851  0.572  1.0
  O  O20  1  0.903  0.606  0.695  1.0
  O  O21  1  0.768  0.012  0.205  1.0
[/CIF]
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