The crystal structure described by Ba3(IrGe4)4 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 18-coordinate geometry to two equivalent Ir(1), four equivalent Ge(3), four equivalent Ge(4), and eight equivalent Ge(1) atoms. In the second Ba site, Ba(2) is bonded in a 24-coordinate geometry to eight equivalent Ir(1), eight equivalent Ge(1), and eight equivalent Ge(2) atoms. Ir(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), two equivalent Ge(2), and four equivalent Ge(1) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(1), two equivalent Ir(1), one Ge(3), and one Ge(4) atom. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to two equivalent Ba(2) and two equivalent Ir(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Ge(4), and four equivalent Ge(1) atoms. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Ge(3), and four equivalent Ge(1) atoms. is represented by the CIF file [CIF]
data_Ba3(Ge4Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.273
_cell_length_b   12.273
_cell_length_c   12.273
_cell_angle_alpha   148.820
_cell_angle_beta   148.820
_cell_angle_gamma   44.676
_symmetry_Int_Tables_number   1
_cell_volume   494.064
_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  0.750  0.250  0.500  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Ge  Ge3  1  0.115  0.115  0.491  1.0
  Ge  Ge4  1  0.624  0.624  0.509  1.0
  Ge  Ge5  1  0.115  0.624  0.000  1.0
  Ge  Ge6  1  0.624  0.115  0.000  1.0
  Ge  Ge7  1  0.885  0.885  0.509  1.0
  Ge  Ge8  1  0.376  0.376  0.491  1.0
  Ge  Ge9  1  0.885  0.376  0.000  1.0
  Ge  Ge10  1  0.376  0.885  0.000  1.0
  Ge  Ge11  1  0.224  0.500  0.724  1.0
  Ge  Ge12  1  0.776  0.500  0.276  1.0
  Ge  Ge13  1  0.500  0.776  0.276  1.0
  Ge  Ge14  1  0.500  0.224  0.724  1.0
  Ge  Ge15  1  0.806  0.806  0.000  1.0
  Ge  Ge16  1  0.194  0.194  0.000  1.0
  Ge  Ge17  1  0.692  0.692  0.000  1.0
  Ge  Ge18  1  0.308  0.308  0.000  1.0
  Ir  Ir19  1  0.911  0.411  0.500  1.0
  Ir  Ir20  1  0.411  0.911  0.500  1.0
  Ir  Ir21  1  0.089  0.589  0.500  1.0
  Ir  Ir22  1  0.589  0.089  0.500  1.0
[/CIF]
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The crystal structure described by Ba3(IrGe4)4 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 18-coordinate geometry to two equivalent Ir(1), four equivalent Ge(3), four equivalent Ge(4), and eight equivalent Ge(1) atoms. In the second Ba site, Ba(2) is bonded in a 24-coordinate geometry to eight equivalent Ir(1), eight equivalent Ge(1), and eight equivalent Ge(2) atoms. Ir(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), two equivalent Ge(2), and four equivalent Ge(1) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(1), two equivalent Ir(1), one Ge(3), and one Ge(4) atom. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to two equivalent Ba(2) and two equivalent Ir(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Ge(4), and four equivalent Ge(1) atoms. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to four equivalent Ba(1), one Ge(3), and four equivalent Ge(1) atoms. is represented by the CIF file [CIF]
data_Ba3(Ge4Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.273
_cell_length_b   12.273
_cell_length_c   12.273
_cell_angle_alpha   148.820
_cell_angle_beta   148.820
_cell_angle_gamma   44.676
_symmetry_Int_Tables_number   1
_cell_volume   494.064
_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  0.750  0.250  0.500  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Ba  Ba2  1  0.000  0.000  0.000  1.0
  Ge  Ge3  1  0.115  0.115  0.491  1.0
  Ge  Ge4  1  0.624  0.624  0.509  1.0
  Ge  Ge5  1  0.115  0.624  0.000  1.0
  Ge  Ge6  1  0.624  0.115  0.000  1.0
  Ge  Ge7  1  0.885  0.885  0.509  1.0
  Ge  Ge8  1  0.376  0.376  0.491  1.0
  Ge  Ge9  1  0.885  0.376  0.000  1.0
  Ge  Ge10  1  0.376  0.885  0.000  1.0
  Ge  Ge11  1  0.224  0.500  0.724  1.0
  Ge  Ge12  1  0.776  0.500  0.276  1.0
  Ge  Ge13  1  0.500  0.776  0.276  1.0
  Ge  Ge14  1  0.500  0.224  0.724  1.0
  Ge  Ge15  1  0.806  0.806  0.000  1.0
  Ge  Ge16  1  0.194  0.194  0.000  1.0
  Ge  Ge17  1  0.692  0.692  0.000  1.0
  Ge  Ge18  1  0.308  0.308  0.000  1.0
  Ir  Ir19  1  0.911  0.411  0.500  1.0
  Ir  Ir20  1  0.411  0.911  0.500  1.0
  Ir  Ir21  1  0.089  0.589  0.500  1.0
  Ir  Ir22  1  0.589  0.089  0.500  1.0
[/CIF]
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