The structure described by Na4Zr2(GeO4)3 crystallizes in the trigonal R-3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra. In the second Zr site, Zr(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form ZrO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra. Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form GeO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra and corners with two equivalent Zr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Ge(1) atom. In the second O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Zr(1), and one Ge(1) atom to form a mixture of distorted edge, face, and corner-sharing ONa3ZrGe trigonal bipyramids. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Zr(2), and one Ge(1) atom. In the fourth O site, O(2) is bonded to one Na(3), two equivalent Na(1), one Zr(2), and one Ge(1) atom to form a mixture of distorted edge, face, and corner-sharing ONa3ZrGe trigonal bipyramids. is represented by the CIF file [CIF]
data_Na4Zr2(GeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.388
_cell_length_b   9.388
_cell_length_c   9.388
_cell_angle_alpha   61.541
_cell_angle_beta   61.541
_cell_angle_gamma   61.541
_symmetry_Int_Tables_number   1
_cell_volume   605.224
_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  0.250  0.631  0.875  1.0
  Na  Na1  1  0.750  0.369  0.125  1.0
  Na  Na2  1  0.125  0.750  0.369  1.0
  Na  Na3  1  0.631  0.875  0.250  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Na  Na5  1  0.369  0.125  0.750  1.0
  Na  Na6  1  0.875  0.250  0.631  1.0
  Na  Na7  1  0.500  0.500  0.500  1.0
  Zr  Zr8  1  0.144  0.144  0.144  1.0
  Zr  Zr9  1  0.356  0.356  0.356  1.0
  Zr  Zr10  1  0.856  0.856  0.856  1.0
  Zr  Zr11  1  0.644  0.644  0.644  1.0
  Ge  Ge12  1  0.955  0.545  0.250  1.0
  Ge  Ge13  1  0.750  0.045  0.455  1.0
  Ge  Ge14  1  0.250  0.955  0.545  1.0
  Ge  Ge15  1  0.045  0.455  0.750  1.0
  Ge  Ge16  1  0.455  0.750  0.045  1.0
  Ge  Ge17  1  0.545  0.250  0.955  1.0
  O  O18  1  0.991  0.369  0.199  1.0
  O  O19  1  0.369  0.199  0.991  1.0
  O  O20  1  0.801  0.009  0.631  1.0
  O  O21  1  0.764  0.556  0.426  1.0
  O  O22  1  0.742  0.082  0.932  1.0
  O  O23  1  0.574  0.236  0.444  1.0
  O  O24  1  0.932  0.742  0.082  1.0
  O  O25  1  0.489  0.709  0.865  1.0
  O  O26  1  0.444  0.574  0.236  1.0
  O  O27  1  0.291  0.135  0.511  1.0
  O  O28  1  0.258  0.918  0.068  1.0
  O  O29  1  0.918  0.068  0.258  1.0
  O  O30  1  0.511  0.291  0.135  1.0
  O  O31  1  0.631  0.801  0.009  1.0
  O  O32  1  0.865  0.489  0.709  1.0
  O  O33  1  0.082  0.932  0.742  1.0
  O  O34  1  0.068  0.258  0.918  1.0
  O  O35  1  0.009  0.631  0.801  1.0
  O  O36  1  0.199  0.991  0.369  1.0
  O  O37  1  0.135  0.511  0.291  1.0
  O  O38  1  0.426  0.764  0.556  1.0
  O  O39  1  0.556  0.426  0.764  1.0
  O  O40  1  0.709  0.865  0.489  1.0
  O  O41  1  0.236  0.444  0.574  1.0
[/CIF]
.
The structure described by Na4Zr2(GeO4)3 crystallizes in the trigonal R-3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to six equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra. In the second Zr site, Zr(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form ZrO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra. Ge(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form GeO4 tetrahedra that share corners with two equivalent Zr(1)O6 octahedra and corners with two equivalent Zr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-43°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Ge(1) atom. In the second O site, O(3) is bonded to one Na(2), two equivalent Na(1), one Zr(1), and one Ge(1) atom to form a mixture of distorted edge, face, and corner-sharing ONa3ZrGe trigonal bipyramids. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Zr(2), and one Ge(1) atom. In the fourth O site, O(2) is bonded to one Na(3), two equivalent Na(1), one Zr(2), and one Ge(1) atom to form a mixture of distorted edge, face, and corner-sharing ONa3ZrGe trigonal bipyramids. is represented by the CIF file [CIF]
data_Na4Zr2(GeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.388
_cell_length_b   9.388
_cell_length_c   9.388
_cell_angle_alpha   61.541
_cell_angle_beta   61.541
_cell_angle_gamma   61.541
_symmetry_Int_Tables_number   1
_cell_volume   605.224
_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  0.250  0.631  0.875  1.0
  Na  Na1  1  0.750  0.369  0.125  1.0
  Na  Na2  1  0.125  0.750  0.369  1.0
  Na  Na3  1  0.631  0.875  0.250  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Na  Na5  1  0.369  0.125  0.750  1.0
  Na  Na6  1  0.875  0.250  0.631  1.0
  Na  Na7  1  0.500  0.500  0.500  1.0
  Zr  Zr8  1  0.144  0.144  0.144  1.0
  Zr  Zr9  1  0.356  0.356  0.356  1.0
  Zr  Zr10  1  0.856  0.856  0.856  1.0
  Zr  Zr11  1  0.644  0.644  0.644  1.0
  Ge  Ge12  1  0.955  0.545  0.250  1.0
  Ge  Ge13  1  0.750  0.045  0.455  1.0
  Ge  Ge14  1  0.250  0.955  0.545  1.0
  Ge  Ge15  1  0.045  0.455  0.750  1.0
  Ge  Ge16  1  0.455  0.750  0.045  1.0
  Ge  Ge17  1  0.545  0.250  0.955  1.0
  O  O18  1  0.991  0.369  0.199  1.0
  O  O19  1  0.369  0.199  0.991  1.0
  O  O20  1  0.801  0.009  0.631  1.0
  O  O21  1  0.764  0.556  0.426  1.0
  O  O22  1  0.742  0.082  0.932  1.0
  O  O23  1  0.574  0.236  0.444  1.0
  O  O24  1  0.932  0.742  0.082  1.0
  O  O25  1  0.489  0.709  0.865  1.0
  O  O26  1  0.444  0.574  0.236  1.0
  O  O27  1  0.291  0.135  0.511  1.0
  O  O28  1  0.258  0.918  0.068  1.0
  O  O29  1  0.918  0.068  0.258  1.0
  O  O30  1  0.511  0.291  0.135  1.0
  O  O31  1  0.631  0.801  0.009  1.0
  O  O32  1  0.865  0.489  0.709  1.0
  O  O33  1  0.082  0.932  0.742  1.0
  O  O34  1  0.068  0.258  0.918  1.0
  O  O35  1  0.009  0.631  0.801  1.0
  O  O36  1  0.199  0.991  0.369  1.0
  O  O37  1  0.135  0.511  0.291  1.0
  O  O38  1  0.426  0.764  0.556  1.0
  O  O39  1  0.556  0.426  0.764  1.0
  O  O40  1  0.709  0.865  0.489  1.0
  O  O41  1  0.236  0.444  0.574  1.0
[/CIF]
.