The material structure described by BaGe6 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 18-coordinate geometry to six equivalent Ge(1), six equivalent Ge(2), and six equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Ge(1), one Ge(2), and two equivalent Ge(3) atoms. In the second Ge site, Ge(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Ge(2), one Ge(3), and two equivalent Ge(1) atoms. In the third Ge site, Ge(3) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Ge(1), one Ge(3), and two equivalent Ge(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.982
_cell_length_b   5.982
_cell_length_c   12.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   131.998
_symmetry_Int_Tables_number   1
_cell_volume   331.916
_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  0.731  0.269  0.250  1.0
  Ba  Ba1  1  0.269  0.731  0.750  1.0
  Ge  Ge2  1  0.751  0.249  0.964  1.0
  Ge  Ge3  1  0.249  0.751  0.036  1.0
  Ge  Ge4  1  0.751  0.249  0.536  1.0
  Ge  Ge5  1  0.249  0.751  0.464  1.0
  Ge  Ge6  1  0.555  0.445  0.854  1.0
  Ge  Ge7  1  0.445  0.555  0.146  1.0
  Ge  Ge8  1  0.555  0.445  0.646  1.0
  Ge  Ge9  1  0.445  0.555  0.354  1.0
  Ge  Ge10  1  0.976  0.024  0.899  1.0
  Ge  Ge11  1  0.024  0.976  0.101  1.0
  Ge  Ge12  1  0.976  0.024  0.601  1.0
  Ge  Ge13  1  0.024  0.976  0.399  1.0
[/CIF]
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The material structure described by BaGe6 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 18-coordinate geometry to six equivalent Ge(1), six equivalent Ge(2), and six equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(2) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Ge(1), one Ge(2), and two equivalent Ge(3) atoms. In the second Ge site, Ge(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Ge(2), one Ge(3), and two equivalent Ge(1) atoms. In the third Ge site, Ge(3) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Ge(1), one Ge(3), and two equivalent Ge(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.982
_cell_length_b   5.982
_cell_length_c   12.480
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   131.998
_symmetry_Int_Tables_number   1
_cell_volume   331.916
_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  0.731  0.269  0.250  1.0
  Ba  Ba1  1  0.269  0.731  0.750  1.0
  Ge  Ge2  1  0.751  0.249  0.964  1.0
  Ge  Ge3  1  0.249  0.751  0.036  1.0
  Ge  Ge4  1  0.751  0.249  0.536  1.0
  Ge  Ge5  1  0.249  0.751  0.464  1.0
  Ge  Ge6  1  0.555  0.445  0.854  1.0
  Ge  Ge7  1  0.445  0.555  0.146  1.0
  Ge  Ge8  1  0.555  0.445  0.646  1.0
  Ge  Ge9  1  0.445  0.555  0.354  1.0
  Ge  Ge10  1  0.976  0.024  0.899  1.0
  Ge  Ge11  1  0.024  0.976  0.101  1.0
  Ge  Ge12  1  0.976  0.024  0.601  1.0
  Ge  Ge13  1  0.024  0.976  0.399  1.0
[/CIF]
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