The material structure described by Al(V4Ge)3 crystallizes in the orthorhombic Pmmm space group. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one V(1), one V(2), four equivalent V(3), two equivalent Al(1), and two equivalent Ge(2) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one V(1), one V(2), four equivalent V(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the third V site, V(3) is bonded in a 14-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent V(4), two equivalent V(5), one Al(1), one Ge(1), and two equivalent Ge(2) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to two equivalent V(4), four equivalent V(3), two equivalent Al(1), and two equivalent Ge(2) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to two equivalent V(5), four equivalent V(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. Al(1) is bonded to four equivalent V(1), four equivalent V(3), and four equivalent V(4) atoms to form AlV12 cuboctahedra that share edges with two equivalent Ge(1)V12 cuboctahedra, edges with four equivalent Al(1)V12 cuboctahedra, and faces with eight equivalent Ge(2)V12 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent V(2), four equivalent V(3), and four equivalent V(5) atoms to form GeV12 cuboctahedra that share edges with two equivalent Al(1)V12 cuboctahedra, edges with four equivalent Ge(1)V12 cuboctahedra, and faces with eight equivalent Ge(2)V12 cuboctahedra. In the second Ge site, Ge(2) is bonded to two equivalent V(1), two equivalent V(2), two equivalent V(4), two equivalent V(5), and four equivalent V(3) atoms to form GeV12 cuboctahedra that share edges with six equivalent Ge(2)V12 cuboctahedra, faces with four equivalent Al(1)V12 cuboctahedra, and faces with four equivalent Ge(1)V12 cuboctahedra. is represented by the CIF card [CIF]
data_Al(V4Ge)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.754
_cell_length_b   4.754
_cell_length_c   9.494
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.549
_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
  Al  Al0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.500  0.000  0.625  1.0
  V  V2  1  0.500  0.000  0.125  1.0
  V  V3  1  0.750  0.500  0.249  1.0
  V  V4  1  0.750  0.500  0.751  1.0
  V  V5  1  0.000  0.749  0.500  1.0
  V  V6  1  0.000  0.749  0.000  1.0
  V  V7  1  0.500  0.000  0.375  1.0
  V  V8  1  0.500  0.000  0.875  1.0
  V  V9  1  0.250  0.500  0.249  1.0
  V  V10  1  0.250  0.500  0.751  1.0
  V  V11  1  0.000  0.251  0.500  1.0
  V  V12  1  0.000  0.251  0.000  1.0
  Ge  Ge13  1  0.500  0.500  0.000  1.0
  Ge  Ge14  1  0.000  0.000  0.249  1.0
  Ge  Ge15  1  0.000  0.000  0.751  1.0
[/CIF]
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The material structure described by Al(V4Ge)3 crystallizes in the orthorhombic Pmmm space group. There are five inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one V(1), one V(2), four equivalent V(3), two equivalent Al(1), and two equivalent Ge(2) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one V(1), one V(2), four equivalent V(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. In the third V site, V(3) is bonded in a 14-coordinate geometry to two equivalent V(1), two equivalent V(2), two equivalent V(3), two equivalent V(4), two equivalent V(5), one Al(1), one Ge(1), and two equivalent Ge(2) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to two equivalent V(4), four equivalent V(3), two equivalent Al(1), and two equivalent Ge(2) atoms. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to two equivalent V(5), four equivalent V(3), two equivalent Ge(1), and two equivalent Ge(2) atoms. Al(1) is bonded to four equivalent V(1), four equivalent V(3), and four equivalent V(4) atoms to form AlV12 cuboctahedra that share edges with two equivalent Ge(1)V12 cuboctahedra, edges with four equivalent Al(1)V12 cuboctahedra, and faces with eight equivalent Ge(2)V12 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to four equivalent V(2), four equivalent V(3), and four equivalent V(5) atoms to form GeV12 cuboctahedra that share edges with two equivalent Al(1)V12 cuboctahedra, edges with four equivalent Ge(1)V12 cuboctahedra, and faces with eight equivalent Ge(2)V12 cuboctahedra. In the second Ge site, Ge(2) is bonded to two equivalent V(1), two equivalent V(2), two equivalent V(4), two equivalent V(5), and four equivalent V(3) atoms to form GeV12 cuboctahedra that share edges with six equivalent Ge(2)V12 cuboctahedra, faces with four equivalent Al(1)V12 cuboctahedra, and faces with four equivalent Ge(1)V12 cuboctahedra. is represented by the CIF card [CIF]
data_Al(V4Ge)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.754
_cell_length_b   4.754
_cell_length_c   9.494
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   214.549
_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
  Al  Al0  1  0.500  0.500  0.500  1.0
  V  V1  1  0.500  0.000  0.625  1.0
  V  V2  1  0.500  0.000  0.125  1.0
  V  V3  1  0.750  0.500  0.249  1.0
  V  V4  1  0.750  0.500  0.751  1.0
  V  V5  1  0.000  0.749  0.500  1.0
  V  V6  1  0.000  0.749  0.000  1.0
  V  V7  1  0.500  0.000  0.375  1.0
  V  V8  1  0.500  0.000  0.875  1.0
  V  V9  1  0.250  0.500  0.249  1.0
  V  V10  1  0.250  0.500  0.751  1.0
  V  V11  1  0.000  0.251  0.500  1.0
  V  V12  1  0.000  0.251  0.000  1.0
  Ge  Ge13  1  0.500  0.500  0.000  1.0
  Ge  Ge14  1  0.000  0.000  0.249  1.0
  Ge  Ge15  1  0.000  0.000  0.751  1.0
[/CIF]
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