The compound described by Na2Sc2P2SO12 crystallizes in the monoclinic Cc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(4), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form ScO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. In the second Sc site, Sc(2) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form ScO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-36°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-35°. S(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-34°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Sc(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Sc(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sc(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Sc(2), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Sc(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(2), and one S(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(2), one Sc(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Na2Sc2P2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.921
_cell_length_b   9.195
_cell_length_c   8.921
_cell_angle_alpha   118.798
_cell_angle_beta   119.745
_cell_angle_gamma   61.202
_symmetry_Int_Tables_number   1
_cell_volume   527.679
_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  0.379  0.754  0.248  1.0
  Na  Na1  1  0.252  0.254  0.121  1.0
  Na  Na2  1  0.498  0.501  0.513  1.0
  Na  Na3  1  0.987  0.001  0.002  1.0
  O  O4  1  0.724  0.909  0.515  1.0
  O  O5  1  0.482  0.917  0.125  1.0
  O  O6  1  0.878  0.908  0.280  1.0
  O  O7  1  0.375  0.417  0.018  1.0
  O  O8  1  0.985  0.409  0.776  1.0
  O  O9  1  0.220  0.408  0.622  1.0
  O  O10  1  0.281  0.079  0.482  1.0
  O  O11  1  0.506  0.090  0.875  1.0
  O  O12  1  0.118  0.094  0.727  1.0
  O  O13  1  0.625  0.590  0.994  1.0
  O  O14  1  0.018  0.579  0.219  1.0
  O  O15  1  0.773  0.594  0.382  1.0
  O  O16  1  0.418  0.231  0.428  1.0
  O  O17  1  0.562  0.232  0.215  1.0
  O  O18  1  0.790  0.231  0.590  1.0
  O  O19  1  0.285  0.732  0.938  1.0
  O  O20  1  0.072  0.731  0.082  1.0
  O  O21  1  0.910  0.731  0.710  1.0
  O  O22  1  0.586  0.767  0.561  1.0
  O  O23  1  0.432  0.770  0.782  1.0
  O  O24  1  0.223  0.767  0.414  1.0
  O  O25  1  0.718  0.270  0.068  1.0
  O  O26  1  0.939  0.267  0.914  1.0
  O  O27  1  0.086  0.267  0.277  1.0
  P  P28  1  0.459  0.751  0.956  1.0
  P  P29  1  0.044  0.747  0.249  1.0
  P  P30  1  0.544  0.251  0.041  1.0
  P  P31  1  0.251  0.247  0.456  1.0
  S  S32  1  0.752  0.752  0.544  1.0
  S  S33  1  0.956  0.252  0.748  1.0
  Sc  Sc34  1  0.650  0.053  0.343  1.0
  Sc  Sc35  1  0.157  0.553  0.850  1.0
  Sc  Sc36  1  0.352  0.946  0.652  1.0
  Sc  Sc37  1  0.848  0.446  0.148  1.0
[/CIF]
.
The compound described by Na2Sc2P2SO12 crystallizes in the monoclinic Cc space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(4), one O(6), one O(7), one O(8), and two equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form ScO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. In the second Sc site, Sc(2) is bonded to one O(10), one O(11), one O(12), one O(4), one O(5), and one O(6) atom to form ScO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent S(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-36°. In the second P site, P(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-35°. S(1) is bonded to one O(1), one O(10), one O(6), and one O(9) atom to form SO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra and corners with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-34°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Sc(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Sc(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sc(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Sc(2), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(1), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Na(2), one Sc(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(2), and one S(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(2), one Sc(2), and one P(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Sc(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Na2Sc2P2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.921
_cell_length_b   9.195
_cell_length_c   8.921
_cell_angle_alpha   118.798
_cell_angle_beta   119.745
_cell_angle_gamma   61.202
_symmetry_Int_Tables_number   1
_cell_volume   527.679
_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  0.379  0.754  0.248  1.0
  Na  Na1  1  0.252  0.254  0.121  1.0
  Na  Na2  1  0.498  0.501  0.513  1.0
  Na  Na3  1  0.987  0.001  0.002  1.0
  O  O4  1  0.724  0.909  0.515  1.0
  O  O5  1  0.482  0.917  0.125  1.0
  O  O6  1  0.878  0.908  0.280  1.0
  O  O7  1  0.375  0.417  0.018  1.0
  O  O8  1  0.985  0.409  0.776  1.0
  O  O9  1  0.220  0.408  0.622  1.0
  O  O10  1  0.281  0.079  0.482  1.0
  O  O11  1  0.506  0.090  0.875  1.0
  O  O12  1  0.118  0.094  0.727  1.0
  O  O13  1  0.625  0.590  0.994  1.0
  O  O14  1  0.018  0.579  0.219  1.0
  O  O15  1  0.773  0.594  0.382  1.0
  O  O16  1  0.418  0.231  0.428  1.0
  O  O17  1  0.562  0.232  0.215  1.0
  O  O18  1  0.790  0.231  0.590  1.0
  O  O19  1  0.285  0.732  0.938  1.0
  O  O20  1  0.072  0.731  0.082  1.0
  O  O21  1  0.910  0.731  0.710  1.0
  O  O22  1  0.586  0.767  0.561  1.0
  O  O23  1  0.432  0.770  0.782  1.0
  O  O24  1  0.223  0.767  0.414  1.0
  O  O25  1  0.718  0.270  0.068  1.0
  O  O26  1  0.939  0.267  0.914  1.0
  O  O27  1  0.086  0.267  0.277  1.0
  P  P28  1  0.459  0.751  0.956  1.0
  P  P29  1  0.044  0.747  0.249  1.0
  P  P30  1  0.544  0.251  0.041  1.0
  P  P31  1  0.251  0.247  0.456  1.0
  S  S32  1  0.752  0.752  0.544  1.0
  S  S33  1  0.956  0.252  0.748  1.0
  Sc  Sc34  1  0.650  0.053  0.343  1.0
  Sc  Sc35  1  0.157  0.553  0.850  1.0
  Sc  Sc36  1  0.352  0.946  0.652  1.0
  Sc  Sc37  1  0.848  0.446  0.148  1.0
[/CIF]
.