The structure described by NaScHfP2SO12 crystallizes in the monoclinic Cc space group. Na(1) 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. Sc(1) 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. Hf(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 HfO6 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(1), one O(10), 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 Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. In the second P site, P(2) is bonded to one O(12), one O(3), 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 Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. S(1) is bonded to one O(11), one O(2), 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 Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-34°. There are twelve inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Hf(1), and one P(1) atom. In the third O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Hf(1), and one P(2) atom. In the fourth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Hf(1), and one S(1) atom. In the fifth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(1) atom. In the sixth O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one S(1) atom. In the seventh O site, O(12) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(2) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Hf(1) and one P(1) atom. In the ninth O site, O(2) is bonded in a bent 150 degrees geometry to one Hf(1) and one S(1) atom. In the tenth O site, O(3) is bonded in a bent 150 degrees geometry to one Hf(1) and one P(2) atom. In the eleventh O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the twelfth O site, O(5) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaHfScP2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.853
_cell_length_b   8.853
_cell_length_c   9.262
_cell_angle_alpha   90.116
_cell_angle_beta   118.458
_cell_angle_gamma   119.958
_symmetry_Int_Tables_number   1
_cell_volume   524.817
_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
  Hf  Hf0  1  0.294  0.644  0.942  1.0
  Hf  Hf1  1  0.297  0.147  0.442  1.0
  Na  Na2  1  0.987  0.495  0.494  1.0
  Na  Na3  1  0.999  0.007  0.994  1.0
  O  O4  1  0.596  0.872  0.088  1.0
  O  O5  1  0.215  0.727  0.094  1.0
  O  O6  1  0.363  0.492  0.088  1.0
  O  O7  1  0.596  0.225  0.588  1.0
  O  O8  1  0.368  0.379  0.594  1.0
  O  O9  1  0.216  0.992  0.588  1.0
  O  O10  1  0.399  0.125  0.911  1.0
  O  O11  1  0.787  0.280  0.913  1.0
  O  O12  1  0.631  0.514  0.906  1.0
  O  O13  1  0.392  0.775  0.406  1.0
  O  O14  1  0.633  0.625  0.413  1.0
  O  O15  1  0.786  0.012  0.411  1.0
  O  O16  1  0.207  0.783  0.772  1.0
  O  O17  1  0.988  0.422  0.772  1.0
  O  O18  1  0.353  0.563  0.769  1.0
  O  O19  1  0.206  0.915  0.269  1.0
  O  O20  1  0.350  0.284  0.272  1.0
  O  O21  1  0.989  0.065  0.272  1.0
  O  O22  1  0.802  0.218  0.232  1.0
  O  O23  1  0.020  0.589  0.229  1.0
  O  O24  1  0.650  0.435  0.229  1.0
  O  O25  1  0.794  0.079  0.729  1.0
  O  O26  1  0.640  0.709  0.729  1.0
  O  O27  1  0.014  0.930  0.732  1.0
  P  P28  1  0.792  0.041  0.251  1.0
  P  P29  1  0.504  0.462  0.252  1.0
  P  P30  1  0.790  0.249  0.752  1.0
  P  P31  1  0.210  0.959  0.751  1.0
  S  S32  1  0.210  0.749  0.252  1.0
  S  S33  1  0.503  0.542  0.752  1.0
  Sc  Sc34  1  0.697  0.338  0.057  1.0
  Sc  Sc35  1  0.719  0.861  0.557  1.0
[/CIF]
.
The structure described by NaScHfP2SO12 crystallizes in the monoclinic Cc space group. Na(1) 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. Sc(1) 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. Hf(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 HfO6 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(1), one O(10), 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 Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. In the second P site, P(2) is bonded to one O(12), one O(3), 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 Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. S(1) is bonded to one O(11), one O(2), 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 Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-34°. There are twelve inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one Sc(1) and one S(1) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Hf(1), and one P(1) atom. In the third O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Hf(1), and one P(2) atom. In the fourth O site, O(9) is bonded in a 3-coordinate geometry to one Na(1), one Hf(1), and one S(1) atom. In the fifth O site, O(10) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(1) atom. In the sixth O site, O(11) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one S(1) atom. In the seventh O site, O(12) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one P(2) atom. In the eighth O site, O(1) is bonded in a bent 150 degrees geometry to one Hf(1) and one P(1) atom. In the ninth O site, O(2) is bonded in a bent 150 degrees geometry to one Hf(1) and one S(1) atom. In the tenth O site, O(3) is bonded in a bent 150 degrees geometry to one Hf(1) and one P(2) atom. In the eleventh O site, O(4) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the twelfth O site, O(5) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaHfScP2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.853
_cell_length_b   8.853
_cell_length_c   9.262
_cell_angle_alpha   90.116
_cell_angle_beta   118.458
_cell_angle_gamma   119.958
_symmetry_Int_Tables_number   1
_cell_volume   524.817
_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
  Hf  Hf0  1  0.294  0.644  0.942  1.0
  Hf  Hf1  1  0.297  0.147  0.442  1.0
  Na  Na2  1  0.987  0.495  0.494  1.0
  Na  Na3  1  0.999  0.007  0.994  1.0
  O  O4  1  0.596  0.872  0.088  1.0
  O  O5  1  0.215  0.727  0.094  1.0
  O  O6  1  0.363  0.492  0.088  1.0
  O  O7  1  0.596  0.225  0.588  1.0
  O  O8  1  0.368  0.379  0.594  1.0
  O  O9  1  0.216  0.992  0.588  1.0
  O  O10  1  0.399  0.125  0.911  1.0
  O  O11  1  0.787  0.280  0.913  1.0
  O  O12  1  0.631  0.514  0.906  1.0
  O  O13  1  0.392  0.775  0.406  1.0
  O  O14  1  0.633  0.625  0.413  1.0
  O  O15  1  0.786  0.012  0.411  1.0
  O  O16  1  0.207  0.783  0.772  1.0
  O  O17  1  0.988  0.422  0.772  1.0
  O  O18  1  0.353  0.563  0.769  1.0
  O  O19  1  0.206  0.915  0.269  1.0
  O  O20  1  0.350  0.284  0.272  1.0
  O  O21  1  0.989  0.065  0.272  1.0
  O  O22  1  0.802  0.218  0.232  1.0
  O  O23  1  0.020  0.589  0.229  1.0
  O  O24  1  0.650  0.435  0.229  1.0
  O  O25  1  0.794  0.079  0.729  1.0
  O  O26  1  0.640  0.709  0.729  1.0
  O  O27  1  0.014  0.930  0.732  1.0
  P  P28  1  0.792  0.041  0.251  1.0
  P  P29  1  0.504  0.462  0.252  1.0
  P  P30  1  0.790  0.249  0.752  1.0
  P  P31  1  0.210  0.959  0.751  1.0
  S  S32  1  0.210  0.749  0.252  1.0
  S  S33  1  0.503  0.542  0.752  1.0
  Sc  Sc34  1  0.697  0.338  0.057  1.0
  Sc  Sc35  1  0.719  0.861  0.557  1.0
[/CIF]
.