The material described by Zr3GeO8 crystallizes in the tetragonal I-42m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ge(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zr(1) and two equivalent Zr(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zr(1), two equivalent Zr(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Zr3GeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   5.015
_cell_length_c   6.334
_cell_angle_alpha   113.320
_cell_angle_beta   113.320
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   131.979
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.500  0.500  0.000  1.0
  Zr  Zr1  1  0.250  0.750  0.500  1.0
  Zr  Zr2  1  0.750  0.250  0.500  1.0
  Ge  Ge3  1  1.000  1.000  1.000  1.0
  O  O4  1  0.537  0.537  0.681  1.0
  O  O5  1  0.856  0.463  0.319  1.0
  O  O6  1  0.463  0.856  0.319  1.0
  O  O7  1  0.144  0.144  0.681  1.0
  O  O8  1  0.303  0.303  0.178  1.0
  O  O9  1  0.124  0.697  0.822  1.0
  O  O10  1  0.697  0.124  0.822  1.0
  O  O11  1  0.876  0.876  0.178  1.0
[/CIF]
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The material described by Zr3GeO8 crystallizes in the tetragonal I-42m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ge(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zr(1) and two equivalent Zr(2) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zr(1), two equivalent Zr(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Zr3GeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   5.015
_cell_length_c   6.334
_cell_angle_alpha   113.320
_cell_angle_beta   113.320
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   131.979
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.500  0.500  0.000  1.0
  Zr  Zr1  1  0.250  0.750  0.500  1.0
  Zr  Zr2  1  0.750  0.250  0.500  1.0
  Ge  Ge3  1  1.000  1.000  1.000  1.0
  O  O4  1  0.537  0.537  0.681  1.0
  O  O5  1  0.856  0.463  0.319  1.0
  O  O6  1  0.463  0.856  0.319  1.0
  O  O7  1  0.144  0.144  0.681  1.0
  O  O8  1  0.303  0.303  0.178  1.0
  O  O9  1  0.124  0.697  0.822  1.0
  O  O10  1  0.697  0.124  0.822  1.0
  O  O11  1  0.876  0.876  0.178  1.0
[/CIF]
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