The material described by Na4ScHfSi2PO12 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), one O(9), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the third Na site, Na(3) 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 fourth Na site, Na(4) 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(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 Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(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 Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form SiO4 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 29-37°. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SiO4 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 28-36°. P(1) is bonded to one O(1), one O(10), one O(6), and one O(9) 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 29-34°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Sc(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(3), one Sc(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Sc(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Na(3), one Hf(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Hf(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Na(3), one Hf(1), and one P(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(3), one Na(4), one Sc(1), and one Si(2) atom to form distorted ONa3ScSi trigonal bipyramids that share  a cornercorner with one O(12)Na3HfSi trigonal bipyramid, corners with two equivalent O(11)Na3HfSi trigonal bipyramids,  an edgeedge with one O(12)Na3HfSi trigonal bipyramid, and  a faceface with one O(8)Na3ScSi trigonal bipyramid. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Na(4), one Sc(1), and one Si(1) atom to form distorted ONa3ScSi trigonal bipyramids that share  a cornercorner with one O(11)Na3HfSi trigonal bipyramid, corners with three equivalent O(12)Na3HfSi trigonal bipyramids,  an edgeedge with one O(11)Na3HfSi trigonal bipyramid, and  a faceface with one O(7)Na3ScSi trigonal bipyramid. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Sc(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Hf(1), and one P(1) atom. In the eleventh O site, O(11) is bonded to one Na(1), one Na(2), one Na(4), one Hf(1), and one Si(1) atom to form distorted ONa3HfSi trigonal bipyramids that share  a cornercorner with one O(8)Na3ScSi trigonal bipyramid, corners with two equivalent O(7)Na3ScSi trigonal bipyramids,  an edgeedge with one O(8)Na3ScSi trigonal bipyramid, and  a faceface with one O(12)Na3HfSi trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Na(2), one Na(3), one Na(4), one Hf(1), and one Si(2) atom to form distorted ONa3HfSi trigonal bipyramids that share  a cornercorner with one O(7)Na3ScSi trigonal bipyramid, corners with three equivalent O(8)Na3ScSi trigonal bipyramids,  an edgeedge with one O(7)Na3ScSi trigonal bipyramid, and  a faceface with one O(11)Na3HfSi trigonal bipyramid. is represented by the CIF card [CIF]
data_Na4HfScSi2PO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.166
_cell_length_b   9.166
_cell_length_c   9.260
_cell_angle_alpha   90.167
_cell_angle_beta   119.627
_cell_angle_gamma   119.844
_symmetry_Int_Tables_number   1
_cell_volume   553.634
_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  0.702  0.352  0.053  1.0
  Hf  Hf1  1  0.701  0.851  0.553  1.0
  Na  Na2  1  0.495  0.110  0.249  1.0
  Na  Na3  1  0.138  0.384  0.257  1.0
  Na  Na4  1  0.872  0.757  0.250  1.0
  Na  Na5  1  0.873  0.619  0.757  1.0
  Na  Na6  1  0.139  0.254  0.749  1.0
  Na  Na7  1  0.493  0.878  0.750  1.0
  Na  Na8  1  0.009  0.504  0.505  1.0
  Na  Na9  1  0.002  0.996  0.005  1.0
  O  O10  1  0.359  0.483  0.086  1.0
  O  O11  1  0.596  0.867  0.079  1.0
  O  O12  1  0.209  0.722  0.077  1.0
  O  O13  1  0.212  0.983  0.579  1.0
  O  O14  1  0.603  0.227  0.586  1.0
  O  O15  1  0.355  0.368  0.577  1.0
  O  O16  1  0.649  0.513  0.921  1.0
  O  O17  1  0.409  0.136  0.922  1.0
  O  O18  1  0.786  0.272  0.913  1.0
  O  O19  1  0.786  0.013  0.422  1.0
  O  O20  1  0.408  0.772  0.421  1.0
  O  O21  1  0.641  0.627  0.413  1.0
  O  O22  1  0.342  0.564  0.767  1.0
  O  O23  1  0.195  0.774  0.766  1.0
  O  O24  1  0.982  0.411  0.770  1.0
  O  O25  1  0.992  0.071  0.266  1.0
  O  O26  1  0.203  0.926  0.267  1.0
  O  O27  1  0.359  0.288  0.270  1.0
  O  O28  1  0.650  0.437  0.232  1.0
  O  O29  1  0.796  0.224  0.230  1.0
  O  O30  1  0.007  0.573  0.231  1.0
  O  O31  1  0.006  0.934  0.730  1.0
  O  O32  1  0.795  0.082  0.732  1.0
  O  O33  1  0.658  0.724  0.731  1.0
  P  P34  1  0.497  0.457  0.247  1.0
  P  P35  1  0.790  0.250  0.747  1.0
  Sc  Sc36  1  0.305  0.659  0.948  1.0
  Sc  Sc37  1  0.289  0.144  0.448  1.0
  Si  Si38  1  0.794  0.044  0.249  1.0
  Si  Si39  1  0.206  0.751  0.248  1.0
  Si  Si40  1  0.205  0.956  0.749  1.0
  Si  Si41  1  0.497  0.542  0.748  1.0
[/CIF]
.
The material described by Na4ScHfSi2PO12 crystallizes in the monoclinic Cc space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), one O(9), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the third Na site, Na(3) 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 fourth Na site, Na(4) 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(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 Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(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 Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form SiO4 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 29-37°. In the second Si site, Si(2) is bonded to one O(12), one O(3), one O(4), and one O(7) atom to form SiO4 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 28-36°. P(1) is bonded to one O(1), one O(10), one O(6), and one O(9) 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 29-34°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Sc(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(3), one Sc(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1), one Na(2), one Sc(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Na(3), one Hf(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Na(1), one Hf(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(2), one Na(3), one Hf(1), and one P(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(3), one Na(4), one Sc(1), and one Si(2) atom to form distorted ONa3ScSi trigonal bipyramids that share  a cornercorner with one O(12)Na3HfSi trigonal bipyramid, corners with two equivalent O(11)Na3HfSi trigonal bipyramids,  an edgeedge with one O(12)Na3HfSi trigonal bipyramid, and  a faceface with one O(8)Na3ScSi trigonal bipyramid. In the eighth O site, O(8) is bonded to one Na(2), one Na(3), one Na(4), one Sc(1), and one Si(1) atom to form distorted ONa3ScSi trigonal bipyramids that share  a cornercorner with one O(11)Na3HfSi trigonal bipyramid, corners with three equivalent O(12)Na3HfSi trigonal bipyramids,  an edgeedge with one O(11)Na3HfSi trigonal bipyramid, and  a faceface with one O(7)Na3ScSi trigonal bipyramid. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(4), one Sc(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), one Na(4), one Hf(1), and one P(1) atom. In the eleventh O site, O(11) is bonded to one Na(1), one Na(2), one Na(4), one Hf(1), and one Si(1) atom to form distorted ONa3HfSi trigonal bipyramids that share  a cornercorner with one O(8)Na3ScSi trigonal bipyramid, corners with two equivalent O(7)Na3ScSi trigonal bipyramids,  an edgeedge with one O(8)Na3ScSi trigonal bipyramid, and  a faceface with one O(12)Na3HfSi trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Na(2), one Na(3), one Na(4), one Hf(1), and one Si(2) atom to form distorted ONa3HfSi trigonal bipyramids that share  a cornercorner with one O(7)Na3ScSi trigonal bipyramid, corners with three equivalent O(8)Na3ScSi trigonal bipyramids,  an edgeedge with one O(7)Na3ScSi trigonal bipyramid, and  a faceface with one O(11)Na3HfSi trigonal bipyramid. is represented by the CIF card [CIF]
data_Na4HfScSi2PO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.166
_cell_length_b   9.166
_cell_length_c   9.260
_cell_angle_alpha   90.167
_cell_angle_beta   119.627
_cell_angle_gamma   119.844
_symmetry_Int_Tables_number   1
_cell_volume   553.634
_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  0.702  0.352  0.053  1.0
  Hf  Hf1  1  0.701  0.851  0.553  1.0
  Na  Na2  1  0.495  0.110  0.249  1.0
  Na  Na3  1  0.138  0.384  0.257  1.0
  Na  Na4  1  0.872  0.757  0.250  1.0
  Na  Na5  1  0.873  0.619  0.757  1.0
  Na  Na6  1  0.139  0.254  0.749  1.0
  Na  Na7  1  0.493  0.878  0.750  1.0
  Na  Na8  1  0.009  0.504  0.505  1.0
  Na  Na9  1  0.002  0.996  0.005  1.0
  O  O10  1  0.359  0.483  0.086  1.0
  O  O11  1  0.596  0.867  0.079  1.0
  O  O12  1  0.209  0.722  0.077  1.0
  O  O13  1  0.212  0.983  0.579  1.0
  O  O14  1  0.603  0.227  0.586  1.0
  O  O15  1  0.355  0.368  0.577  1.0
  O  O16  1  0.649  0.513  0.921  1.0
  O  O17  1  0.409  0.136  0.922  1.0
  O  O18  1  0.786  0.272  0.913  1.0
  O  O19  1  0.786  0.013  0.422  1.0
  O  O20  1  0.408  0.772  0.421  1.0
  O  O21  1  0.641  0.627  0.413  1.0
  O  O22  1  0.342  0.564  0.767  1.0
  O  O23  1  0.195  0.774  0.766  1.0
  O  O24  1  0.982  0.411  0.770  1.0
  O  O25  1  0.992  0.071  0.266  1.0
  O  O26  1  0.203  0.926  0.267  1.0
  O  O27  1  0.359  0.288  0.270  1.0
  O  O28  1  0.650  0.437  0.232  1.0
  O  O29  1  0.796  0.224  0.230  1.0
  O  O30  1  0.007  0.573  0.231  1.0
  O  O31  1  0.006  0.934  0.730  1.0
  O  O32  1  0.795  0.082  0.732  1.0
  O  O33  1  0.658  0.724  0.731  1.0
  P  P34  1  0.497  0.457  0.247  1.0
  P  P35  1  0.790  0.250  0.747  1.0
  Sc  Sc36  1  0.305  0.659  0.948  1.0
  Sc  Sc37  1  0.289  0.144  0.448  1.0
  Si  Si38  1  0.794  0.044  0.249  1.0
  Si  Si39  1  0.206  0.751  0.248  1.0
  Si  Si40  1  0.205  0.956  0.749  1.0
  Si  Si41  1  0.497  0.542  0.748  1.0
[/CIF]
.