The crystal structure described by Ba3Cd(GeO4)2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1) and nine equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share edges with six equivalent Ba(2)O12 cuboctahedra, edges with six equivalent Ge(1)O4 tetrahedra, and faces with two equivalent Cd(1)O6 octahedra. Cd(1) is bonded to six equivalent O(2) atoms to form CdO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra and faces with two equivalent Ba(2)O12 cuboctahedra. Ge(1) is bonded to one O(1) and three equivalent O(2) atoms to form GeO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and edges with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 16°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), and one Ge(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Cd(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Ba3Cd(GeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.872
_cell_length_b   5.872
_cell_length_c   7.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   224.959
_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
  Ba  Ba0  1  0.667  0.333  0.342  1.0
  Ba  Ba1  1  0.333  0.667  0.658  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.500  1.0
  Ge  Ge4  1  0.667  0.333  0.785  1.0
  Ge  Ge5  1  0.333  0.667  0.215  1.0
  O  O6  1  0.667  0.333  0.014  1.0
  O  O7  1  0.333  0.667  0.986  1.0
  O  O8  1  0.827  0.654  0.693  1.0
  O  O9  1  0.173  0.346  0.307  1.0
  O  O10  1  0.827  0.173  0.693  1.0
  O  O11  1  0.173  0.827  0.307  1.0
  O  O12  1  0.346  0.173  0.693  1.0
  O  O13  1  0.654  0.827  0.307  1.0
[/CIF]
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The crystal structure described by Ba3Cd(GeO4)2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(1) and nine equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share edges with six equivalent Ba(2)O12 cuboctahedra, edges with six equivalent Ge(1)O4 tetrahedra, and faces with two equivalent Cd(1)O6 octahedra. Cd(1) is bonded to six equivalent O(2) atoms to form CdO6 octahedra that share corners with six equivalent Ge(1)O4 tetrahedra and faces with two equivalent Ba(2)O12 cuboctahedra. Ge(1) is bonded to one O(1) and three equivalent O(2) atoms to form GeO4 tetrahedra that share corners with three equivalent Cd(1)O6 octahedra and edges with three equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 16°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), three equivalent Ba(2), and one Ge(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(1), one Cd(1), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Ba3Cd(GeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.872
_cell_length_b   5.872
_cell_length_c   7.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   224.959
_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
  Ba  Ba0  1  0.667  0.333  0.342  1.0
  Ba  Ba1  1  0.333  0.667  0.658  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.500  1.0
  Ge  Ge4  1  0.667  0.333  0.785  1.0
  Ge  Ge5  1  0.333  0.667  0.215  1.0
  O  O6  1  0.667  0.333  0.014  1.0
  O  O7  1  0.333  0.667  0.986  1.0
  O  O8  1  0.827  0.654  0.693  1.0
  O  O9  1  0.173  0.346  0.307  1.0
  O  O10  1  0.827  0.173  0.693  1.0
  O  O11  1  0.173  0.827  0.307  1.0
  O  O12  1  0.346  0.173  0.693  1.0
  O  O13  1  0.654  0.827  0.307  1.0
[/CIF]
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