The material described by Nb(FeGe)6 crystallizes in the hexagonal P6/mmm space group. Nb(1) is bonded to two equivalent Ge(1) and six equivalent Ge(3) atoms to form distorted edge-sharing NbGe8 hexagonal bipyramids. Fe(1) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Nb(1), six equivalent Fe(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to three equivalent Nb(1) and six equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Nb(FeGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   5.015
_cell_length_c   8.146
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   177.410
_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  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.500  0.751  1.0
  Fe  Fe2  1  0.500  0.000  0.249  1.0
  Fe  Fe3  1  0.500  0.500  0.249  1.0
  Fe  Fe4  1  0.000  0.500  0.249  1.0
  Fe  Fe5  1  0.500  0.000  0.751  1.0
  Fe  Fe6  1  0.500  0.500  0.751  1.0
  Ge  Ge7  1  0.000  0.000  0.663  1.0
  Ge  Ge8  1  0.333  0.667  0.500  1.0
  Ge  Ge9  1  0.667  0.333  0.500  1.0
  Ge  Ge10  1  0.333  0.667  0.000  1.0
  Ge  Ge11  1  0.667  0.333  0.000  1.0
  Ge  Ge12  1  0.000  0.000  0.337  1.0
[/CIF]
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The material described by Nb(FeGe)6 crystallizes in the hexagonal P6/mmm space group. Nb(1) is bonded to two equivalent Ge(1) and six equivalent Ge(3) atoms to form distorted edge-sharing NbGe8 hexagonal bipyramids. Fe(1) is bonded in a 10-coordinate geometry to four equivalent Fe(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Nb(1), six equivalent Fe(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. In the third Ge site, Ge(3) is bonded in a 9-coordinate geometry to three equivalent Nb(1) and six equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_Nb(FeGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   5.015
_cell_length_c   8.146
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   177.410
_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  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.500  0.751  1.0
  Fe  Fe2  1  0.500  0.000  0.249  1.0
  Fe  Fe3  1  0.500  0.500  0.249  1.0
  Fe  Fe4  1  0.000  0.500  0.249  1.0
  Fe  Fe5  1  0.500  0.000  0.751  1.0
  Fe  Fe6  1  0.500  0.500  0.751  1.0
  Ge  Ge7  1  0.000  0.000  0.663  1.0
  Ge  Ge8  1  0.333  0.667  0.500  1.0
  Ge  Ge9  1  0.667  0.333  0.500  1.0
  Ge  Ge10  1  0.333  0.667  0.000  1.0
  Ge  Ge11  1  0.667  0.333  0.000  1.0
  Ge  Ge12  1  0.000  0.000  0.337  1.0
[/CIF]
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