The material structure described by BaGeF6 crystallizes in the trigonal R-3m space group. Ba(1) is bonded to twelve equivalent F(1) atoms to form BaF12 cuboctahedra that share corners with six equivalent Ge(1)F6 octahedra, edges with six equivalent Ba(1)F12 cuboctahedra, and faces with two equivalent Ge(1)F6 octahedra. The corner-sharing octahedral tilt angles are 35°. Ge(1) is bonded to six equivalent F(1) atoms to form GeF6 octahedra that share corners with six equivalent Ba(1)F12 cuboctahedra and faces with two equivalent Ba(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ge(1) atom. is represented by the CIF file [CIF]
data_BaGeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.858
_cell_length_b   4.858
_cell_length_c   4.858
_cell_angle_alpha   98.202
_cell_angle_beta   98.202
_cell_angle_gamma   98.202
_symmetry_Int_Tables_number   1
_cell_volume   110.724
_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  0.500  0.500  0.500  1.0
  Ge  Ge1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.266  0.266  0.924  1.0
  F  F3  1  0.266  0.924  0.266  1.0
  F  F4  1  0.734  0.076  0.734  1.0
  F  F5  1  0.734  0.734  0.076  1.0
  F  F6  1  0.076  0.734  0.734  1.0
  F  F7  1  0.924  0.266  0.266  1.0
[/CIF]
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The material structure described by BaGeF6 crystallizes in the trigonal R-3m space group. Ba(1) is bonded to twelve equivalent F(1) atoms to form BaF12 cuboctahedra that share corners with six equivalent Ge(1)F6 octahedra, edges with six equivalent Ba(1)F12 cuboctahedra, and faces with two equivalent Ge(1)F6 octahedra. The corner-sharing octahedral tilt angles are 35°. Ge(1) is bonded to six equivalent F(1) atoms to form GeF6 octahedra that share corners with six equivalent Ba(1)F12 cuboctahedra and faces with two equivalent Ba(1)F12 cuboctahedra. F(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ge(1) atom. is represented by the CIF file [CIF]
data_BaGeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.858
_cell_length_b   4.858
_cell_length_c   4.858
_cell_angle_alpha   98.202
_cell_angle_beta   98.202
_cell_angle_gamma   98.202
_symmetry_Int_Tables_number   1
_cell_volume   110.724
_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  0.500  0.500  0.500  1.0
  Ge  Ge1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.266  0.266  0.924  1.0
  F  F3  1  0.266  0.924  0.266  1.0
  F  F4  1  0.734  0.076  0.734  1.0
  F  F5  1  0.734  0.734  0.076  1.0
  F  F6  1  0.076  0.734  0.734  1.0
  F  F7  1  0.924  0.266  0.266  1.0
[/CIF]
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