The structure described by Na2MgHfP2SO12 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(2), one O(3), one O(8), one O(9), and two equivalent O(4) 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. Mg(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 MgO6 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(10), one O(11), one O(12), one O(4), one O(5), and one O(6) 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 Mg(1)O6 octahedra and corners with two equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-37°. 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 Mg(1)O6 octahedra and corners with two equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-36°. 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 Mg(1)O6 octahedra and corners with two equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Mg(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Hf(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Hf(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Hf(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Mg(1), and one P(1) 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 Mg(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Mg(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Hf(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(2), one Hf(1), and one S(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 Hf(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Na2HfMgP2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.865
_cell_length_b   8.865
_cell_length_c   9.137
_cell_angle_alpha   61.063
_cell_angle_beta   61.063
_cell_angle_gamma   60.398
_symmetry_Int_Tables_number   1
_cell_volume   517.377
_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  0.352  0.344  0.944  1.0
  Hf  Hf1  1  0.844  0.852  0.444  1.0
  Mg  Mg2  1  0.648  0.652  0.054  1.0
  Mg  Mg3  1  0.152  0.148  0.554  1.0
  Na  Na4  1  0.758  0.118  0.740  1.0
  Na  Na5  1  0.618  0.258  0.240  1.0
  Na  Na6  1  0.507  0.518  0.486  1.0
  Na  Na7  1  0.018  0.007  0.986  1.0
  O  O8  1  0.493  0.874  0.913  1.0
  O  O9  1  0.881  0.724  0.907  1.0
  O  O10  1  0.718  0.481  0.924  1.0
  O  O11  1  0.981  0.218  0.424  1.0
  O  O12  1  0.224  0.381  0.407  1.0
  O  O13  1  0.374  0.993  0.413  1.0
  O  O14  1  0.516  0.129  0.083  1.0
  O  O15  1  0.124  0.279  0.093  1.0
  O  O16  1  0.273  0.515  0.091  1.0
  O  O17  1  0.015  0.773  0.591  1.0
  O  O18  1  0.779  0.624  0.593  1.0
  O  O19  1  0.629  0.016  0.583  1.0
  O  O20  1  0.571  0.781  0.228  1.0
  O  O21  1  0.776  0.412  0.233  1.0
  O  O22  1  0.413  0.565  0.230  1.0
  O  O23  1  0.065  0.913  0.730  1.0
  O  O24  1  0.912  0.276  0.733  1.0
  O  O25  1  0.281  0.071  0.728  1.0
  O  O26  1  0.439  0.215  0.769  1.0
  O  O27  1  0.211  0.587  0.769  1.0
  O  O28  1  0.577  0.432  0.771  1.0
  O  O29  1  0.932  0.077  0.271  1.0
  O  O30  1  0.087  0.711  0.269  1.0
  O  O31  1  0.715  0.939  0.269  1.0
  P  P32  1  0.452  0.035  0.755  1.0
  P  P33  1  0.751  0.452  0.759  1.0
  P  P34  1  0.952  0.251  0.259  1.0
  P  P35  1  0.535  0.952  0.255  1.0
  S  S36  1  0.040  0.750  0.752  1.0
  S  S37  1  0.250  0.540  0.252  1.0
[/CIF]
.
The structure described by Na2MgHfP2SO12 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(2), one O(3), one O(8), one O(9), and two equivalent O(4) 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. Mg(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 MgO6 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(10), one O(11), one O(12), one O(4), one O(5), and one O(6) 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 Mg(1)O6 octahedra and corners with two equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-37°. 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 Mg(1)O6 octahedra and corners with two equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-36°. 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 Mg(1)O6 octahedra and corners with two equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Na(1), one Mg(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mg(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Hf(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Hf(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Hf(1) and one S(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(2), one Mg(1), and one P(1) 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 Mg(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Mg(1), and one S(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Hf(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Na(2), one Hf(1), and one S(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 Hf(1), and one P(2) atom. is represented by the CIF file [CIF]
data_Na2HfMgP2SO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.865
_cell_length_b   8.865
_cell_length_c   9.137
_cell_angle_alpha   61.063
_cell_angle_beta   61.063
_cell_angle_gamma   60.398
_symmetry_Int_Tables_number   1
_cell_volume   517.377
_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  0.352  0.344  0.944  1.0
  Hf  Hf1  1  0.844  0.852  0.444  1.0
  Mg  Mg2  1  0.648  0.652  0.054  1.0
  Mg  Mg3  1  0.152  0.148  0.554  1.0
  Na  Na4  1  0.758  0.118  0.740  1.0
  Na  Na5  1  0.618  0.258  0.240  1.0
  Na  Na6  1  0.507  0.518  0.486  1.0
  Na  Na7  1  0.018  0.007  0.986  1.0
  O  O8  1  0.493  0.874  0.913  1.0
  O  O9  1  0.881  0.724  0.907  1.0
  O  O10  1  0.718  0.481  0.924  1.0
  O  O11  1  0.981  0.218  0.424  1.0
  O  O12  1  0.224  0.381  0.407  1.0
  O  O13  1  0.374  0.993  0.413  1.0
  O  O14  1  0.516  0.129  0.083  1.0
  O  O15  1  0.124  0.279  0.093  1.0
  O  O16  1  0.273  0.515  0.091  1.0
  O  O17  1  0.015  0.773  0.591  1.0
  O  O18  1  0.779  0.624  0.593  1.0
  O  O19  1  0.629  0.016  0.583  1.0
  O  O20  1  0.571  0.781  0.228  1.0
  O  O21  1  0.776  0.412  0.233  1.0
  O  O22  1  0.413  0.565  0.230  1.0
  O  O23  1  0.065  0.913  0.730  1.0
  O  O24  1  0.912  0.276  0.733  1.0
  O  O25  1  0.281  0.071  0.728  1.0
  O  O26  1  0.439  0.215  0.769  1.0
  O  O27  1  0.211  0.587  0.769  1.0
  O  O28  1  0.577  0.432  0.771  1.0
  O  O29  1  0.932  0.077  0.271  1.0
  O  O30  1  0.087  0.711  0.269  1.0
  O  O31  1  0.715  0.939  0.269  1.0
  P  P32  1  0.452  0.035  0.755  1.0
  P  P33  1  0.751  0.452  0.759  1.0
  P  P34  1  0.952  0.251  0.259  1.0
  P  P35  1  0.535  0.952  0.255  1.0
  S  S36  1  0.040  0.750  0.752  1.0
  S  S37  1  0.250  0.540  0.252  1.0
[/CIF]
.