The crystal structure described by Na4Hf2(GeO4)3 crystallizes in the trigonal R-3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to two equivalent O(1) and four equivalent O(2) atoms. Hf(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form HfO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra. Ge(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with four equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-42°. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Na(1), two equivalent Na(2), one Hf(1), and one Ge(1) atom to form a mixture of distorted corner, edge, and face-sharing ONa3HfGe trigonal bipyramids. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Hf(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Na4Hf2(GeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.189
_cell_length_b   9.189
_cell_length_c   9.189
_cell_angle_alpha   61.801
_cell_angle_beta   61.801
_cell_angle_gamma   61.801
_symmetry_Int_Tables_number   1
_cell_volume   570.831
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.370  0.130  0.750  1.0
  Na  Na2  1  0.130  0.750  0.370  1.0
  Na  Na3  1  0.750  0.370  0.130  1.0
  Na  Na4  1  0.250  0.630  0.870  1.0
  Na  Na5  1  0.870  0.250  0.630  1.0
  Na  Na6  1  0.500  0.500  0.500  1.0
  Na  Na7  1  0.630  0.870  0.250  1.0
  Hf  Hf8  1  0.357  0.357  0.357  1.0
  Hf  Hf9  1  0.857  0.857  0.857  1.0
  Hf  Hf10  1  0.643  0.643  0.643  1.0
  Hf  Hf11  1  0.143  0.143  0.143  1.0
  Ge  Ge12  1  0.956  0.544  0.250  1.0
  Ge  Ge13  1  0.750  0.044  0.456  1.0
  Ge  Ge14  1  0.250  0.956  0.544  1.0
  Ge  Ge15  1  0.044  0.456  0.750  1.0
  Ge  Ge16  1  0.456  0.750  0.044  1.0
  Ge  Ge17  1  0.544  0.250  0.956  1.0
  O  O18  1  0.703  0.865  0.490  1.0
  O  O19  1  0.490  0.703  0.865  1.0
  O  O20  1  0.865  0.490  0.703  1.0
  O  O21  1  0.797  0.010  0.635  1.0
  O  O22  1  0.635  0.797  0.010  1.0
  O  O23  1  0.010  0.635  0.797  1.0
  O  O24  1  0.297  0.135  0.510  1.0
  O  O25  1  0.510  0.297  0.135  1.0
  O  O26  1  0.135  0.510  0.297  1.0
  O  O27  1  0.203  0.990  0.365  1.0
  O  O28  1  0.365  0.203  0.990  1.0
  O  O29  1  0.990  0.365  0.203  1.0
  O  O30  1  0.422  0.759  0.562  1.0
  O  O31  1  0.562  0.422  0.759  1.0
  O  O32  1  0.759  0.562  0.422  1.0
  O  O33  1  0.078  0.938  0.741  1.0
  O  O34  1  0.741  0.078  0.938  1.0
  O  O35  1  0.938  0.741  0.078  1.0
  O  O36  1  0.062  0.259  0.922  1.0
  O  O37  1  0.259  0.922  0.062  1.0
  O  O38  1  0.922  0.062  0.259  1.0
  O  O39  1  0.241  0.438  0.578  1.0
  O  O40  1  0.438  0.578  0.241  1.0
  O  O41  1  0.578  0.241  0.438  1.0
[/CIF]
.
The crystal structure described by Na4Hf2(GeO4)3 crystallizes in the trigonal R-3c space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted hexagonal planar geometry to two equivalent O(1) and four equivalent O(2) atoms. Hf(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form HfO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra. Ge(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GeO4 tetrahedra that share corners with four equivalent Hf(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-42°. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Na(1), two equivalent Na(2), one Hf(1), and one Ge(1) atom to form a mixture of distorted corner, edge, and face-sharing ONa3HfGe trigonal bipyramids. In the second O site, O(1) is bonded in a 3-coordinate geometry to one Na(2), one Hf(1), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Na4Hf2(GeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.189
_cell_length_b   9.189
_cell_length_c   9.189
_cell_angle_alpha   61.801
_cell_angle_beta   61.801
_cell_angle_gamma   61.801
_symmetry_Int_Tables_number   1
_cell_volume   570.831
_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  0.000  0.000  0.000  1.0
  Na  Na1  1  0.370  0.130  0.750  1.0
  Na  Na2  1  0.130  0.750  0.370  1.0
  Na  Na3  1  0.750  0.370  0.130  1.0
  Na  Na4  1  0.250  0.630  0.870  1.0
  Na  Na5  1  0.870  0.250  0.630  1.0
  Na  Na6  1  0.500  0.500  0.500  1.0
  Na  Na7  1  0.630  0.870  0.250  1.0
  Hf  Hf8  1  0.357  0.357  0.357  1.0
  Hf  Hf9  1  0.857  0.857  0.857  1.0
  Hf  Hf10  1  0.643  0.643  0.643  1.0
  Hf  Hf11  1  0.143  0.143  0.143  1.0
  Ge  Ge12  1  0.956  0.544  0.250  1.0
  Ge  Ge13  1  0.750  0.044  0.456  1.0
  Ge  Ge14  1  0.250  0.956  0.544  1.0
  Ge  Ge15  1  0.044  0.456  0.750  1.0
  Ge  Ge16  1  0.456  0.750  0.044  1.0
  Ge  Ge17  1  0.544  0.250  0.956  1.0
  O  O18  1  0.703  0.865  0.490  1.0
  O  O19  1  0.490  0.703  0.865  1.0
  O  O20  1  0.865  0.490  0.703  1.0
  O  O21  1  0.797  0.010  0.635  1.0
  O  O22  1  0.635  0.797  0.010  1.0
  O  O23  1  0.010  0.635  0.797  1.0
  O  O24  1  0.297  0.135  0.510  1.0
  O  O25  1  0.510  0.297  0.135  1.0
  O  O26  1  0.135  0.510  0.297  1.0
  O  O27  1  0.203  0.990  0.365  1.0
  O  O28  1  0.365  0.203  0.990  1.0
  O  O29  1  0.990  0.365  0.203  1.0
  O  O30  1  0.422  0.759  0.562  1.0
  O  O31  1  0.562  0.422  0.759  1.0
  O  O32  1  0.759  0.562  0.422  1.0
  O  O33  1  0.078  0.938  0.741  1.0
  O  O34  1  0.741  0.078  0.938  1.0
  O  O35  1  0.938  0.741  0.078  1.0
  O  O36  1  0.062  0.259  0.922  1.0
  O  O37  1  0.259  0.922  0.062  1.0
  O  O38  1  0.922  0.062  0.259  1.0
  O  O39  1  0.241  0.438  0.578  1.0
  O  O40  1  0.438  0.578  0.241  1.0
  O  O41  1  0.578  0.241  0.438  1.0
[/CIF]
.