The compound described by Na3Hf2Si2PO12 crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, 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. In the second Na site, Na(2) 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 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. There are two inequivalent Hf sites. In the first Hf site, 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 Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Hf site, Hf(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 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 Hf(1)O6 octahedra and corners with two equivalent Hf(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. 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 Hf(1)O6 octahedra and corners with two equivalent Hf(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-40°. 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 Hf(1)O6 octahedra and corners with two equivalent Hf(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Hf(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 Hf(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Na(2), one Hf(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(3), one Hf(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Na(2), one Hf(2), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Hf(2), and one P(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(3), one Hf(1), and one Si(2) atom to form distorted face-sharing ONa3HfSi trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(1), one Na(3), one Hf(1), and one Si(1) atom to form distorted face-sharing ONa2HfSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Hf(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(2), one Na(3), one Hf(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Hf(2), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(3), one Hf(2), and one Si(2) atom. is represented by the CIF file [CIF]
data_Na3Hf2Si2PO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.127
_cell_length_b   9.127
_cell_length_c   9.168
_cell_angle_alpha   90.316
_cell_angle_beta   119.553
_cell_angle_gamma   119.938
_symmetry_Int_Tables_number   1
_cell_volume   542.688
_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  0.289  0.651  0.940  1.0
  Hf  Hf1  1  0.289  0.150  0.440  1.0
  Hf  Hf2  1  0.714  0.357  0.060  1.0
  Hf  Hf3  1  0.703  0.846  0.560  1.0
  Na  Na4  1  0.014  0.502  0.497  1.0
  Na  Na5  1  0.995  0.983  0.997  1.0
  Na  Na6  1  0.494  0.105  0.245  1.0
  Na  Na7  1  0.861  0.749  0.239  1.0
  Na  Na8  1  0.139  0.250  0.745  1.0
  Na  Na9  1  0.490  0.877  0.739  1.0
  O  O10  1  0.358  0.474  0.068  1.0
  O  O11  1  0.585  0.866  0.076  1.0
  O  O12  1  0.223  0.717  0.093  1.0
  O  O13  1  0.211  0.991  0.576  1.0
  O  O14  1  0.594  0.210  0.568  1.0
  O  O15  1  0.377  0.370  0.593  1.0
  O  O16  1  0.648  0.524  0.942  1.0
  O  O17  1  0.418  0.134  0.927  1.0
  O  O18  1  0.778  0.280  0.902  1.0
  O  O19  1  0.793  0.009  0.427  1.0
  O  O20  1  0.418  0.794  0.442  1.0
  O  O21  1  0.621  0.624  0.402  1.0
  O  O22  1  0.331  0.558  0.760  1.0
  O  O23  1  0.202  0.776  0.765  1.0
  O  O24  1  0.983  0.406  0.764  1.0
  O  O25  1  0.989  0.064  0.265  1.0
  O  O26  1  0.202  0.929  0.260  1.0
  O  O27  1  0.358  0.280  0.264  1.0
  O  O28  1  0.655  0.440  0.238  1.0
  O  O29  1  0.794  0.224  0.236  1.0
  O  O30  1  0.007  0.588  0.244  1.0
  O  O31  1  0.013  0.942  0.736  1.0
  O  O32  1  0.798  0.083  0.738  1.0
  O  O33  1  0.657  0.737  0.744  1.0
  P  P34  1  0.494  0.454  0.241  1.0
  P  P35  1  0.787  0.248  0.741  1.0
  Si  Si36  1  0.793  0.044  0.251  1.0
  Si  Si37  1  0.211  0.753  0.260  1.0
  Si  Si38  1  0.207  0.958  0.751  1.0
  Si  Si39  1  0.507  0.549  0.760  1.0
[/CIF]
.
The compound described by Na3Hf2Si2PO12 crystallizes in the monoclinic Cc space group. There are three inequivalent Na sites. In the first Na site, 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. In the second Na site, Na(2) 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 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. There are two inequivalent Hf sites. In the first Hf site, 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 Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Hf site, Hf(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 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 Hf(1)O6 octahedra and corners with two equivalent Hf(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. 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 Hf(1)O6 octahedra and corners with two equivalent Hf(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-40°. 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 Hf(1)O6 octahedra and corners with two equivalent Hf(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Hf(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 Hf(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Na(2), one Hf(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(3), one Hf(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Na(2), one Hf(2), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Na(3), one Hf(2), and one P(1) atom. In the seventh O site, O(7) is bonded to one Na(1), one Na(2), one Na(3), one Hf(1), and one Si(2) atom to form distorted face-sharing ONa3HfSi trigonal bipyramids. In the eighth O site, O(8) is bonded to one Na(1), one Na(3), one Hf(1), and one Si(1) atom to form distorted face-sharing ONa2HfSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Na(1), one Na(2), one Hf(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(2), one Na(3), one Hf(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), one Na(2), one Hf(2), and one Si(1) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(3), one Hf(2), and one Si(2) atom. is represented by the CIF file [CIF]
data_Na3Hf2Si2PO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.127
_cell_length_b   9.127
_cell_length_c   9.168
_cell_angle_alpha   90.316
_cell_angle_beta   119.553
_cell_angle_gamma   119.938
_symmetry_Int_Tables_number   1
_cell_volume   542.688
_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  0.289  0.651  0.940  1.0
  Hf  Hf1  1  0.289  0.150  0.440  1.0
  Hf  Hf2  1  0.714  0.357  0.060  1.0
  Hf  Hf3  1  0.703  0.846  0.560  1.0
  Na  Na4  1  0.014  0.502  0.497  1.0
  Na  Na5  1  0.995  0.983  0.997  1.0
  Na  Na6  1  0.494  0.105  0.245  1.0
  Na  Na7  1  0.861  0.749  0.239  1.0
  Na  Na8  1  0.139  0.250  0.745  1.0
  Na  Na9  1  0.490  0.877  0.739  1.0
  O  O10  1  0.358  0.474  0.068  1.0
  O  O11  1  0.585  0.866  0.076  1.0
  O  O12  1  0.223  0.717  0.093  1.0
  O  O13  1  0.211  0.991  0.576  1.0
  O  O14  1  0.594  0.210  0.568  1.0
  O  O15  1  0.377  0.370  0.593  1.0
  O  O16  1  0.648  0.524  0.942  1.0
  O  O17  1  0.418  0.134  0.927  1.0
  O  O18  1  0.778  0.280  0.902  1.0
  O  O19  1  0.793  0.009  0.427  1.0
  O  O20  1  0.418  0.794  0.442  1.0
  O  O21  1  0.621  0.624  0.402  1.0
  O  O22  1  0.331  0.558  0.760  1.0
  O  O23  1  0.202  0.776  0.765  1.0
  O  O24  1  0.983  0.406  0.764  1.0
  O  O25  1  0.989  0.064  0.265  1.0
  O  O26  1  0.202  0.929  0.260  1.0
  O  O27  1  0.358  0.280  0.264  1.0
  O  O28  1  0.655  0.440  0.238  1.0
  O  O29  1  0.794  0.224  0.236  1.0
  O  O30  1  0.007  0.588  0.244  1.0
  O  O31  1  0.013  0.942  0.736  1.0
  O  O32  1  0.798  0.083  0.738  1.0
  O  O33  1  0.657  0.737  0.744  1.0
  P  P34  1  0.494  0.454  0.241  1.0
  P  P35  1  0.787  0.248  0.741  1.0
  Si  Si36  1  0.793  0.044  0.251  1.0
  Si  Si37  1  0.211  0.753  0.260  1.0
  Si  Si38  1  0.207  0.958  0.751  1.0
  Si  Si39  1  0.507  0.549  0.760  1.0
[/CIF]
.