The crystal structure described by Zr(GeO3)3N2 crystallizes in the hexagonal P6_3/m space group. The structure consists of four ammonia atoms inside a Zr(GeO3)3 framework. In the Zr(GeO3)3 framework, Zr(1) is bonded to six equivalent O(1) atoms to form ZrO6 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 two equivalent Zr(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 34°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Ge(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrGe3N2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.381
_cell_length_b   7.381
_cell_length_c   10.699
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   504.844
_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
  Zr  Zr0  1  0.000  0.000  0.500  1.0
  Zr  Zr1  1  0.000  0.000  0.000  1.0
  Ge  Ge2  1  0.263  0.389  0.750  1.0
  Ge  Ge3  1  0.611  0.874  0.750  1.0
  Ge  Ge4  1  0.126  0.737  0.750  1.0
  Ge  Ge5  1  0.737  0.611  0.250  1.0
  Ge  Ge6  1  0.389  0.126  0.250  1.0
  Ge  Ge7  1  0.874  0.263  0.250  1.0
  N  N8  1  0.667  0.333  0.556  1.0
  N  N9  1  0.333  0.667  0.056  1.0
  N  N10  1  0.333  0.667  0.444  1.0
  N  N11  1  0.667  0.333  0.944  1.0
  O  O12  1  0.222  0.234  0.618  1.0
  O  O13  1  0.766  0.988  0.618  1.0
  O  O14  1  0.012  0.778  0.618  1.0
  O  O15  1  0.778  0.766  0.118  1.0
  O  O16  1  0.234  0.012  0.118  1.0
  O  O17  1  0.988  0.222  0.118  1.0
  O  O18  1  0.778  0.766  0.382  1.0
  O  O19  1  0.234  0.012  0.382  1.0
  O  O20  1  0.988  0.222  0.382  1.0
  O  O21  1  0.222  0.234  0.882  1.0
  O  O22  1  0.766  0.988  0.882  1.0
  O  O23  1  0.012  0.778  0.882  1.0
  O  O24  1  0.523  0.601  0.750  1.0
  O  O25  1  0.399  0.923  0.750  1.0
  O  O26  1  0.077  0.477  0.750  1.0
  O  O27  1  0.477  0.399  0.250  1.0
  O  O28  1  0.601  0.077  0.250  1.0
  O  O29  1  0.923  0.523  0.250  1.0
[/CIF]
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The crystal structure described by Zr(GeO3)3N2 crystallizes in the hexagonal P6_3/m space group. The structure consists of four ammonia atoms inside a Zr(GeO3)3 framework. In the Zr(GeO3)3 framework, Zr(1) is bonded to six equivalent O(1) atoms to form ZrO6 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 two equivalent Zr(1)O6 octahedra and corners with two equivalent Ge(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 34°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent Ge(1) atoms. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrGe3N2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.381
_cell_length_b   7.381
_cell_length_c   10.699
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   504.844
_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
  Zr  Zr0  1  0.000  0.000  0.500  1.0
  Zr  Zr1  1  0.000  0.000  0.000  1.0
  Ge  Ge2  1  0.263  0.389  0.750  1.0
  Ge  Ge3  1  0.611  0.874  0.750  1.0
  Ge  Ge4  1  0.126  0.737  0.750  1.0
  Ge  Ge5  1  0.737  0.611  0.250  1.0
  Ge  Ge6  1  0.389  0.126  0.250  1.0
  Ge  Ge7  1  0.874  0.263  0.250  1.0
  N  N8  1  0.667  0.333  0.556  1.0
  N  N9  1  0.333  0.667  0.056  1.0
  N  N10  1  0.333  0.667  0.444  1.0
  N  N11  1  0.667  0.333  0.944  1.0
  O  O12  1  0.222  0.234  0.618  1.0
  O  O13  1  0.766  0.988  0.618  1.0
  O  O14  1  0.012  0.778  0.618  1.0
  O  O15  1  0.778  0.766  0.118  1.0
  O  O16  1  0.234  0.012  0.118  1.0
  O  O17  1  0.988  0.222  0.118  1.0
  O  O18  1  0.778  0.766  0.382  1.0
  O  O19  1  0.234  0.012  0.382  1.0
  O  O20  1  0.988  0.222  0.382  1.0
  O  O21  1  0.222  0.234  0.882  1.0
  O  O22  1  0.766  0.988  0.882  1.0
  O  O23  1  0.012  0.778  0.882  1.0
  O  O24  1  0.523  0.601  0.750  1.0
  O  O25  1  0.399  0.923  0.750  1.0
  O  O26  1  0.077  0.477  0.750  1.0
  O  O27  1  0.477  0.399  0.250  1.0
  O  O28  1  0.601  0.077  0.250  1.0
  O  O29  1  0.923  0.523  0.250  1.0
[/CIF]
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