The compound described by BaGe3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to four equivalent Ge(1) and eight equivalent Ge(2) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to four equivalent Ge(1) and eight equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Ge(1), and four equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ge(1), and three equivalent Ge(2) atoms. is represented by the CIF file [CIF]
data_BaGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.557
_cell_length_b   8.557
_cell_length_c   8.557
_cell_angle_alpha   124.824
_cell_angle_beta   124.824
_cell_angle_gamma   81.830
_symmetry_Int_Tables_number   1
_cell_volume   406.151
_cell_formula_units_Z   4
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  0.826  0.826  0.000  1.0
  Ba  Ba1  1  0.174  0.174  0.000  1.0
  Ba  Ba2  1  0.250  0.750  0.500  1.0
  Ba  Ba3  1  0.750  0.250  0.500  1.0
  Ge  Ge4  1  0.340  0.000  0.340  1.0
  Ge  Ge5  1  0.660  0.000  0.660  1.0
  Ge  Ge6  1  0.000  0.660  0.660  1.0
  Ge  Ge7  1  0.000  0.340  0.340  1.0
  Ge  Ge8  1  0.220  0.220  0.637  1.0
  Ge  Ge9  1  0.584  0.584  0.363  1.0
  Ge  Ge10  1  0.220  0.584  0.000  1.0
  Ge  Ge11  1  0.584  0.220  0.000  1.0
  Ge  Ge12  1  0.780  0.780  0.363  1.0
  Ge  Ge13  1  0.416  0.416  0.637  1.0
  Ge  Ge14  1  0.780  0.416  0.000  1.0
  Ge  Ge15  1  0.416  0.780  0.000  1.0
[/CIF]
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The compound described by BaGe3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to four equivalent Ge(1) and eight equivalent Ge(2) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to four equivalent Ge(1) and eight equivalent Ge(2) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Ge(1), and four equivalent Ge(2) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ge(1), and three equivalent Ge(2) atoms. is represented by the CIF file [CIF]
data_BaGe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.557
_cell_length_b   8.557
_cell_length_c   8.557
_cell_angle_alpha   124.824
_cell_angle_beta   124.824
_cell_angle_gamma   81.830
_symmetry_Int_Tables_number   1
_cell_volume   406.151
_cell_formula_units_Z   4
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  0.826  0.826  0.000  1.0
  Ba  Ba1  1  0.174  0.174  0.000  1.0
  Ba  Ba2  1  0.250  0.750  0.500  1.0
  Ba  Ba3  1  0.750  0.250  0.500  1.0
  Ge  Ge4  1  0.340  0.000  0.340  1.0
  Ge  Ge5  1  0.660  0.000  0.660  1.0
  Ge  Ge6  1  0.000  0.660  0.660  1.0
  Ge  Ge7  1  0.000  0.340  0.340  1.0
  Ge  Ge8  1  0.220  0.220  0.637  1.0
  Ge  Ge9  1  0.584  0.584  0.363  1.0
  Ge  Ge10  1  0.220  0.584  0.000  1.0
  Ge  Ge11  1  0.584  0.220  0.000  1.0
  Ge  Ge12  1  0.780  0.780  0.363  1.0
  Ge  Ge13  1  0.416  0.416  0.637  1.0
  Ge  Ge14  1  0.780  0.416  0.000  1.0
  Ge  Ge15  1  0.416  0.780  0.000  1.0
[/CIF]
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