The structure described by BaGe3O8 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ge(2)O6 octahedra, corners with four equivalent Ge(1)O6 octahedra, edges with four equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ge(1)O6 octahedra, edges with four equivalent Ge(2)O6 octahedra, and faces with two equivalent Ge(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-47°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GeO6 octahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ge(2)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra, and edges with four equivalent Ge(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Ge site, Ge(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form GeO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ge(1)O6 octahedra, corners with two equivalent Ge(2)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra,  an edgeedge with one Ge(2)O6 octahedra, edges with two equivalent Ge(1)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ge(1), and two equivalent Ge(2) atoms. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ge(1), and one Ge(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ge(1), and two equivalent Ge(2) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.069
_cell_length_b   7.069
_cell_length_c   9.463
_cell_angle_alpha   76.030
_cell_angle_beta   76.030
_cell_angle_gamma   41.269
_symmetry_Int_Tables_number   1
_cell_volume   301.326
_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
  Ba  Ba0  1  0.144  0.856  0.250  1.0
  Ba  Ba1  1  0.856  0.144  0.750  1.0
  Ge  Ge2  1  0.500  0.000  0.500  1.0
  Ge  Ge3  1  0.000  0.500  0.000  1.0
  Ge  Ge4  1  0.041  0.572  0.622  1.0
  Ge  Ge5  1  0.572  0.041  0.122  1.0
  Ge  Ge6  1  0.959  0.428  0.378  1.0
  Ge  Ge7  1  0.428  0.959  0.878  1.0
  O  O8  1  0.704  0.835  0.311  1.0
  O  O9  1  0.835  0.704  0.811  1.0
  O  O10  1  0.796  0.943  0.527  1.0
  O  O11  1  0.943  0.796  0.027  1.0
  O  O12  1  0.762  0.599  0.573  1.0
  O  O13  1  0.599  0.762  0.073  1.0
  O  O14  1  0.238  0.401  0.427  1.0
  O  O15  1  0.401  0.238  0.927  1.0
  O  O16  1  0.296  0.165  0.689  1.0
  O  O17  1  0.165  0.296  0.189  1.0
  O  O18  1  0.204  0.057  0.473  1.0
  O  O19  1  0.057  0.204  0.973  1.0
  O  O20  1  0.708  0.428  0.353  1.0
  O  O21  1  0.428  0.708  0.853  1.0
  O  O22  1  0.292  0.572  0.647  1.0
  O  O23  1  0.572  0.292  0.147  1.0
[/CIF]
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The structure described by BaGe3O8 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded to two equivalent O(1), two equivalent O(3), four equivalent O(2), and four equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with two equivalent Ge(2)O6 octahedra, corners with four equivalent Ge(1)O6 octahedra, edges with four equivalent Ba(1)O12 cuboctahedra, edges with two equivalent Ge(1)O6 octahedra, edges with four equivalent Ge(2)O6 octahedra, and faces with two equivalent Ge(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-47°. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form GeO6 octahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ge(2)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra, and edges with four equivalent Ge(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second Ge site, Ge(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form GeO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra,  a cornercorner with one Ge(1)O6 octahedra, corners with two equivalent Ge(2)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra,  an edgeedge with one Ge(2)O6 octahedra, edges with two equivalent Ge(1)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ge(1), and two equivalent Ge(2) atoms. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ge(1), and one Ge(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Ge(1), and two equivalent Ge(2) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Ge(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGe3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.069
_cell_length_b   7.069
_cell_length_c   9.463
_cell_angle_alpha   76.030
_cell_angle_beta   76.030
_cell_angle_gamma   41.269
_symmetry_Int_Tables_number   1
_cell_volume   301.326
_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
  Ba  Ba0  1  0.144  0.856  0.250  1.0
  Ba  Ba1  1  0.856  0.144  0.750  1.0
  Ge  Ge2  1  0.500  0.000  0.500  1.0
  Ge  Ge3  1  0.000  0.500  0.000  1.0
  Ge  Ge4  1  0.041  0.572  0.622  1.0
  Ge  Ge5  1  0.572  0.041  0.122  1.0
  Ge  Ge6  1  0.959  0.428  0.378  1.0
  Ge  Ge7  1  0.428  0.959  0.878  1.0
  O  O8  1  0.704  0.835  0.311  1.0
  O  O9  1  0.835  0.704  0.811  1.0
  O  O10  1  0.796  0.943  0.527  1.0
  O  O11  1  0.943  0.796  0.027  1.0
  O  O12  1  0.762  0.599  0.573  1.0
  O  O13  1  0.599  0.762  0.073  1.0
  O  O14  1  0.238  0.401  0.427  1.0
  O  O15  1  0.401  0.238  0.927  1.0
  O  O16  1  0.296  0.165  0.689  1.0
  O  O17  1  0.165  0.296  0.189  1.0
  O  O18  1  0.204  0.057  0.473  1.0
  O  O19  1  0.057  0.204  0.973  1.0
  O  O20  1  0.708  0.428  0.353  1.0
  O  O21  1  0.428  0.708  0.853  1.0
  O  O22  1  0.292  0.572  0.647  1.0
  O  O23  1  0.572  0.292  0.147  1.0
[/CIF]
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