The crystal structure described by Ba3Ge4 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Cmmm space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), and two equivalent Ge(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and four equivalent Ge(4) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and four equivalent Ge(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to four equivalent Ge(2) and four equivalent Ge(3) atoms. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to four equivalent Ge(1) and four equivalent Ge(4) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), two equivalent Ba(4), one Ge(3), and two equivalent Ge(2) atoms. In the second Ge site, Ge(4) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(5), one Ge(4), and two equivalent Ge(1) atoms. In the third Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), two equivalent Ba(5), and two equivalent Ge(4) atoms. In the fourth Ge site, Ge(2) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), two equivalent Ba(4), and two equivalent Ge(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.556
_cell_length_b   8.556
_cell_length_c   12.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.198
_symmetry_Int_Tables_number   1
_cell_volume   893.350
_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  0.000  0.500  0.744  1.0
  Ba  Ba1  1  0.500  0.000  0.256  1.0
  Ba  Ba2  1  0.000  0.500  0.256  1.0
  Ba  Ba3  1  0.500  0.000  0.744  1.0
  Ba  Ba4  1  0.500  0.500  0.324  1.0
  Ba  Ba5  1  0.500  0.500  0.676  1.0
  Ba  Ba6  1  0.000  0.000  0.161  1.0
  Ba  Ba7  1  0.000  0.000  0.839  1.0
  Ba  Ba8  1  0.337  0.337  0.000  1.0
  Ba  Ba9  1  0.663  0.663  0.000  1.0
  Ba  Ba10  1  0.841  0.159  0.500  1.0
  Ba  Ba11  1  0.159  0.841  0.500  1.0
  Ge  Ge12  1  0.803  0.803  0.350  1.0
  Ge  Ge13  1  0.197  0.197  0.350  1.0
  Ge  Ge14  1  0.803  0.803  0.650  1.0
  Ge  Ge15  1  0.197  0.197  0.650  1.0
  Ge  Ge16  1  0.293  0.707  0.138  1.0
  Ge  Ge17  1  0.707  0.293  0.138  1.0
  Ge  Ge18  1  0.707  0.293  0.862  1.0
  Ge  Ge19  1  0.293  0.707  0.862  1.0
  Ge  Ge20  1  0.064  0.659  0.000  1.0
  Ge  Ge21  1  0.936  0.341  0.000  1.0
  Ge  Ge22  1  0.659  0.064  0.000  1.0
  Ge  Ge23  1  0.341  0.936  0.000  1.0
  Ge  Ge24  1  0.592  0.798  0.500  1.0
  Ge  Ge25  1  0.408  0.202  0.500  1.0
  Ge  Ge26  1  0.798  0.592  0.500  1.0
  Ge  Ge27  1  0.202  0.408  0.500  1.0
[/CIF]
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The crystal structure described by Ba3Ge4 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Cmmm space group. There are five inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), and two equivalent Ge(4) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and four equivalent Ge(4) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), and four equivalent Ge(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to four equivalent Ge(2) and four equivalent Ge(3) atoms. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to four equivalent Ge(1) and four equivalent Ge(4) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(3) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), two equivalent Ba(4), one Ge(3), and two equivalent Ge(2) atoms. In the second Ge site, Ge(4) is bonded in a 9-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), two equivalent Ba(5), one Ge(4), and two equivalent Ge(1) atoms. In the third Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), two equivalent Ba(5), and two equivalent Ge(4) atoms. In the fourth Ge site, Ge(2) is bonded in a 8-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), two equivalent Ba(4), and two equivalent Ge(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.556
_cell_length_b   8.556
_cell_length_c   12.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   92.198
_symmetry_Int_Tables_number   1
_cell_volume   893.350
_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  0.000  0.500  0.744  1.0
  Ba  Ba1  1  0.500  0.000  0.256  1.0
  Ba  Ba2  1  0.000  0.500  0.256  1.0
  Ba  Ba3  1  0.500  0.000  0.744  1.0
  Ba  Ba4  1  0.500  0.500  0.324  1.0
  Ba  Ba5  1  0.500  0.500  0.676  1.0
  Ba  Ba6  1  0.000  0.000  0.161  1.0
  Ba  Ba7  1  0.000  0.000  0.839  1.0
  Ba  Ba8  1  0.337  0.337  0.000  1.0
  Ba  Ba9  1  0.663  0.663  0.000  1.0
  Ba  Ba10  1  0.841  0.159  0.500  1.0
  Ba  Ba11  1  0.159  0.841  0.500  1.0
  Ge  Ge12  1  0.803  0.803  0.350  1.0
  Ge  Ge13  1  0.197  0.197  0.350  1.0
  Ge  Ge14  1  0.803  0.803  0.650  1.0
  Ge  Ge15  1  0.197  0.197  0.650  1.0
  Ge  Ge16  1  0.293  0.707  0.138  1.0
  Ge  Ge17  1  0.707  0.293  0.138  1.0
  Ge  Ge18  1  0.707  0.293  0.862  1.0
  Ge  Ge19  1  0.293  0.707  0.862  1.0
  Ge  Ge20  1  0.064  0.659  0.000  1.0
  Ge  Ge21  1  0.936  0.341  0.000  1.0
  Ge  Ge22  1  0.659  0.064  0.000  1.0
  Ge  Ge23  1  0.341  0.936  0.000  1.0
  Ge  Ge24  1  0.592  0.798  0.500  1.0
  Ge  Ge25  1  0.408  0.202  0.500  1.0
  Ge  Ge26  1  0.798  0.592  0.500  1.0
  Ge  Ge27  1  0.202  0.408  0.500  1.0
[/CIF]
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