The material described by Ba10Ge7O3 crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted hexagonal planar geometry to two equivalent Ge(2) and four equivalent Ge(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Ge(1) and two equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a distorted bent 150 degrees geometry to one Ge(2), two equivalent Ge(1), and two equivalent O(1) atoms. In the fourth Ba site, Ba(4) is bonded to twelve equivalent Ge(1) atoms to form face-sharing BaGe12 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(4), and two equivalent Ge(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Ba(3) and six equivalent Ba(1) atoms. O(1) is bonded to two equivalent Ba(2) and two equivalent Ba(3) atoms to form distorted corner-sharing OBa4 tetrahedra. is represented by the CIF card [CIF]
data_Ba10Ge7O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.080
_cell_length_b   12.080
_cell_length_c   5.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   637.060
_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  0.919  0.459  0.000  1.0
  Ba  Ba1  1  0.541  0.459  0.000  1.0
  Ba  Ba2  1  0.541  0.081  0.000  1.0
  Ba  Ba3  1  0.750  0.875  0.000  1.0
  Ba  Ba4  1  0.125  0.250  0.000  1.0
  Ba  Ba5  1  0.125  0.875  0.000  1.0
  Ba  Ba6  1  0.339  0.170  0.500  1.0
  Ba  Ba7  1  0.830  0.170  0.500  1.0
  Ba  Ba8  1  0.830  0.661  0.500  1.0
  Ba  Ba9  1  0.333  0.667  0.000  1.0
  Ge  Ge10  1  0.333  0.456  0.500  1.0
  Ge  Ge11  1  0.544  0.877  0.500  1.0
  Ge  Ge12  1  0.123  0.667  0.500  1.0
  Ge  Ge13  1  0.333  0.877  0.500  1.0
  Ge  Ge14  1  0.123  0.456  0.500  1.0
  Ge  Ge15  1  0.544  0.667  0.500  1.0
  Ge  Ge16  1  0.667  0.333  0.500  1.0
  O  O17  1  0.259  0.129  0.000  1.0
  O  O18  1  0.871  0.741  0.000  1.0
  O  O19  1  0.871  0.129  0.000  1.0
[/CIF]
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The material described by Ba10Ge7O3 crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted hexagonal planar geometry to two equivalent Ge(2) and four equivalent Ge(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Ge(1) and two equivalent O(1) atoms. In the third Ba site, Ba(3) is bonded in a distorted bent 150 degrees geometry to one Ge(2), two equivalent Ge(1), and two equivalent O(1) atoms. In the fourth Ba site, Ba(4) is bonded to twelve equivalent Ge(1) atoms to form face-sharing BaGe12 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to one Ba(3), two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(4), and two equivalent Ge(1) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Ba(3) and six equivalent Ba(1) atoms. O(1) is bonded to two equivalent Ba(2) and two equivalent Ba(3) atoms to form distorted corner-sharing OBa4 tetrahedra. is represented by the CIF card [CIF]
data_Ba10Ge7O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.080
_cell_length_b   12.080
_cell_length_c   5.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   637.060
_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  0.919  0.459  0.000  1.0
  Ba  Ba1  1  0.541  0.459  0.000  1.0
  Ba  Ba2  1  0.541  0.081  0.000  1.0
  Ba  Ba3  1  0.750  0.875  0.000  1.0
  Ba  Ba4  1  0.125  0.250  0.000  1.0
  Ba  Ba5  1  0.125  0.875  0.000  1.0
  Ba  Ba6  1  0.339  0.170  0.500  1.0
  Ba  Ba7  1  0.830  0.170  0.500  1.0
  Ba  Ba8  1  0.830  0.661  0.500  1.0
  Ba  Ba9  1  0.333  0.667  0.000  1.0
  Ge  Ge10  1  0.333  0.456  0.500  1.0
  Ge  Ge11  1  0.544  0.877  0.500  1.0
  Ge  Ge12  1  0.123  0.667  0.500  1.0
  Ge  Ge13  1  0.333  0.877  0.500  1.0
  Ge  Ge14  1  0.123  0.456  0.500  1.0
  Ge  Ge15  1  0.544  0.667  0.500  1.0
  Ge  Ge16  1  0.667  0.333  0.500  1.0
  O  O17  1  0.259  0.129  0.000  1.0
  O  O18  1  0.871  0.741  0.000  1.0
  O  O19  1  0.871  0.129  0.000  1.0
[/CIF]
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