The compound described by Na2ZrGe2O7 crystallizes in the triclinic P-1 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(1), one O(5), one O(6), two equivalent O(3), and three equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(7), and two equivalent O(2) atoms. Zr(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form ZrO6 octahedra that share corners with three equivalent Ge(1)O4 tetrahedra and corners with three equivalent Ge(2)O4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form GeO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the second Ge site, Ge(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form GeO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one Zr(1), and one Ge(2) atom. In the second O site, O(2) is bonded to two equivalent Na(2), one Ge(1), and one Ge(2) atom to form distorted ONa2Ge2 trigonal pyramids that share  a cornercorner with one O(5)Na2ZrGe trigonal pyramid,  an edgeedge with one O(2)Na2Ge2 trigonal pyramid, and  an edgeedge with one O(5)Na2ZrGe trigonal pyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Zr(1), and one Ge(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Na(1), one Zr(1), and one Ge(1) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Zr(1), and one Ge(1) atom to form a mixture of corner and edge-sharing ONa2ZrGe trigonal pyramids. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Ge(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(2), one Zr(1), and one Ge(2) atom. is represented by the CIF file [CIF]
data_Na2ZrGe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.709
_cell_length_b   6.757
_cell_length_c   9.265
_cell_angle_alpha   70.478
_cell_angle_beta   88.730
_cell_angle_gamma   86.896
_symmetry_Int_Tables_number   1
_cell_volume   336.340
_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  0.766  0.655  0.504  1.0
  Na  Na1  1  0.730  0.902  0.116  1.0
  Na  Na2  1  0.234  0.345  0.496  1.0
  Na  Na3  1  0.270  0.098  0.884  1.0
  Zr  Zr4  1  0.771  0.298  0.276  1.0
  Zr  Zr5  1  0.229  0.702  0.724  1.0
  Ge  Ge6  1  0.305  0.946  0.335  1.0
  Ge  Ge7  1  0.224  0.644  0.145  1.0
  Ge  Ge8  1  0.695  0.054  0.665  1.0
  Ge  Ge9  1  0.776  0.356  0.855  1.0
  O  O10  1  0.542  0.520  0.758  1.0
  O  O11  1  0.717  0.095  0.849  1.0
  O  O12  1  0.949  0.585  0.235  1.0
  O  O13  1  0.743  0.289  0.513  1.0
  O  O14  1  0.395  0.996  0.664  1.0
  O  O15  1  0.605  0.004  0.336  1.0
  O  O16  1  0.257  0.711  0.487  1.0
  O  O17  1  0.899  0.852  0.668  1.0
  O  O18  1  0.101  0.148  0.332  1.0
  O  O19  1  0.790  0.297  0.053  1.0
  O  O20  1  0.051  0.415  0.765  1.0
  O  O21  1  0.210  0.703  0.947  1.0
  O  O22  1  0.283  0.905  0.151  1.0
  O  O23  1  0.458  0.480  0.242  1.0
[/CIF]
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The compound described by Na2ZrGe2O7 crystallizes in the triclinic P-1 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(1), one O(5), one O(6), two equivalent O(3), and three equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one O(3), one O(5), one O(7), and two equivalent O(2) atoms. Zr(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form ZrO6 octahedra that share corners with three equivalent Ge(1)O4 tetrahedra and corners with three equivalent Ge(2)O4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form GeO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one Ge(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the second Ge site, Ge(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form GeO4 tetrahedra that share corners with three equivalent Zr(1)O6 octahedra and  a cornercorner with one Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one Zr(1), and one Ge(2) atom. In the second O site, O(2) is bonded to two equivalent Na(2), one Ge(1), and one Ge(2) atom to form distorted ONa2Ge2 trigonal pyramids that share  a cornercorner with one O(5)Na2ZrGe trigonal pyramid,  an edgeedge with one O(2)Na2Ge2 trigonal pyramid, and  an edgeedge with one O(5)Na2ZrGe trigonal pyramid. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Na(2), two equivalent Na(1), one Zr(1), and one Ge(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three equivalent Na(1), one Zr(1), and one Ge(1) atom. In the fifth O site, O(5) is bonded to one Na(1), one Na(2), one Zr(1), and one Ge(1) atom to form a mixture of corner and edge-sharing ONa2ZrGe trigonal pyramids. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Zr(1), and one Ge(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(2), one Zr(1), and one Ge(2) atom. is represented by the CIF file [CIF]
data_Na2ZrGe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.709
_cell_length_b   6.757
_cell_length_c   9.265
_cell_angle_alpha   70.478
_cell_angle_beta   88.730
_cell_angle_gamma   86.896
_symmetry_Int_Tables_number   1
_cell_volume   336.340
_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  0.766  0.655  0.504  1.0
  Na  Na1  1  0.730  0.902  0.116  1.0
  Na  Na2  1  0.234  0.345  0.496  1.0
  Na  Na3  1  0.270  0.098  0.884  1.0
  Zr  Zr4  1  0.771  0.298  0.276  1.0
  Zr  Zr5  1  0.229  0.702  0.724  1.0
  Ge  Ge6  1  0.305  0.946  0.335  1.0
  Ge  Ge7  1  0.224  0.644  0.145  1.0
  Ge  Ge8  1  0.695  0.054  0.665  1.0
  Ge  Ge9  1  0.776  0.356  0.855  1.0
  O  O10  1  0.542  0.520  0.758  1.0
  O  O11  1  0.717  0.095  0.849  1.0
  O  O12  1  0.949  0.585  0.235  1.0
  O  O13  1  0.743  0.289  0.513  1.0
  O  O14  1  0.395  0.996  0.664  1.0
  O  O15  1  0.605  0.004  0.336  1.0
  O  O16  1  0.257  0.711  0.487  1.0
  O  O17  1  0.899  0.852  0.668  1.0
  O  O18  1  0.101  0.148  0.332  1.0
  O  O19  1  0.790  0.297  0.053  1.0
  O  O20  1  0.051  0.415  0.765  1.0
  O  O21  1  0.210  0.703  0.947  1.0
  O  O22  1  0.283  0.905  0.151  1.0
  O  O23  1  0.458  0.480  0.242  1.0
[/CIF]
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