The material structure described by Nb6AlGe crystallizes in the cubic Pm-3 space group. Nb(1) is bonded in a 14-coordinate geometry to ten equivalent Nb(1), two equivalent Al(1), and two equivalent Ge(1) atoms. Al(1) is bonded to twelve equivalent Nb(1) atoms to form AlNb12 cuboctahedra that share edges with six equivalent Al(1)Nb12 cuboctahedra and faces with eight equivalent Ge(1)Nb12 cuboctahedra. Ge(1) is bonded to twelve equivalent Nb(1) atoms to form GeNb12 cuboctahedra that share edges with six equivalent Ge(1)Nb12 cuboctahedra and faces with eight equivalent Al(1)Nb12 cuboctahedra. is represented by the CIF card [CIF]
data_Nb6AlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.194
_cell_length_c   5.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.105
_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
  Nb  Nb0  1  0.000  0.500  0.750  1.0
  Nb  Nb1  1  0.500  0.250  0.000  1.0
  Nb  Nb2  1  0.750  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.250  1.0
  Nb  Nb4  1  0.500  0.750  0.000  1.0
  Nb  Nb5  1  0.250  0.000  0.500  1.0
  Al  Al6  1  0.500  0.500  0.500  1.0
  Ge  Ge7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Nb6AlGe crystallizes in the cubic Pm-3 space group. Nb(1) is bonded in a 14-coordinate geometry to ten equivalent Nb(1), two equivalent Al(1), and two equivalent Ge(1) atoms. Al(1) is bonded to twelve equivalent Nb(1) atoms to form AlNb12 cuboctahedra that share edges with six equivalent Al(1)Nb12 cuboctahedra and faces with eight equivalent Ge(1)Nb12 cuboctahedra. Ge(1) is bonded to twelve equivalent Nb(1) atoms to form GeNb12 cuboctahedra that share edges with six equivalent Ge(1)Nb12 cuboctahedra and faces with eight equivalent Al(1)Nb12 cuboctahedra. is represented by the CIF card [CIF]
data_Nb6AlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.194
_cell_length_c   5.194
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.105
_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
  Nb  Nb0  1  0.000  0.500  0.750  1.0
  Nb  Nb1  1  0.500  0.250  0.000  1.0
  Nb  Nb2  1  0.750  0.000  0.500  1.0
  Nb  Nb3  1  0.000  0.500  0.250  1.0
  Nb  Nb4  1  0.500  0.750  0.000  1.0
  Nb  Nb5  1  0.250  0.000  0.500  1.0
  Al  Al6  1  0.500  0.500  0.500  1.0
  Ge  Ge7  1  0.000  0.000  0.000  1.0
[/CIF]
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