The compound described by Ta6Fe7 is Frank-Kasper $\mu$ Phase structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 15-coordinate geometry to three equivalent Ta(1), six equivalent Ta(3), and six equivalent Fe(2) atoms. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(3), three equivalent Ta(2), three equivalent Fe(1), and nine equivalent Fe(2) atoms. In the third Ta site, Ta(3) is bonded in a 14-coordinate geometry to one Ta(2), one Ta(3), six equivalent Ta(1), and six equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Ta(2) and six equivalent Fe(2) atoms to form FeTa6Fe6 cuboctahedra that share corners with twelve equivalent Fe(2)Ta7Fe5 cuboctahedra, edges with six equivalent Fe(1)Ta6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(2)Ta7Fe5 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Ta(1), two equivalent Ta(3), three equivalent Ta(2), one Fe(1), and four equivalent Fe(2) atoms to form FeTa7Fe5 cuboctahedra that share corners with two equivalent Fe(1)Ta6Fe6 cuboctahedra, corners with thirteen equivalent Fe(2)Ta7Fe5 cuboctahedra, edges with five equivalent Fe(2)Ta7Fe5 cuboctahedra, faces with three equivalent Fe(1)Ta6Fe6 cuboctahedra, and faces with ten equivalent Fe(2)Ta7Fe5 cuboctahedra. is represented by the CIF card [CIF]
data_Ta6Fe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.862
_cell_length_b   4.862
_cell_length_c   9.181
_cell_angle_alpha   74.644
_cell_angle_beta   74.644
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   178.969
_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
  Ta  Ta0  1  0.834  0.834  0.499  1.0
  Ta  Ta1  1  0.166  0.166  0.501  1.0
  Ta  Ta2  1  0.655  0.655  0.036  1.0
  Ta  Ta3  1  0.345  0.345  0.964  1.0
  Ta  Ta4  1  0.551  0.551  0.348  1.0
  Ta  Ta5  1  0.449  0.449  0.652  1.0
  Fe  Fe6  1  0.000  0.000  0.000  1.0
  Fe  Fe7  1  0.910  0.910  0.775  1.0
  Fe  Fe8  1  0.405  0.910  0.775  1.0
  Fe  Fe9  1  0.910  0.405  0.775  1.0
  Fe  Fe10  1  0.090  0.090  0.225  1.0
  Fe  Fe11  1  0.595  0.090  0.225  1.0
  Fe  Fe12  1  0.090  0.595  0.225  1.0
[/CIF]
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The compound described by Ta6Fe7 is Frank-Kasper $\mu$ Phase structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 15-coordinate geometry to three equivalent Ta(1), six equivalent Ta(3), and six equivalent Fe(2) atoms. In the second Ta site, Ta(2) is bonded in a 16-coordinate geometry to one Ta(3), three equivalent Ta(2), three equivalent Fe(1), and nine equivalent Fe(2) atoms. In the third Ta site, Ta(3) is bonded in a 14-coordinate geometry to one Ta(2), one Ta(3), six equivalent Ta(1), and six equivalent Fe(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to six equivalent Ta(2) and six equivalent Fe(2) atoms to form FeTa6Fe6 cuboctahedra that share corners with twelve equivalent Fe(2)Ta7Fe5 cuboctahedra, edges with six equivalent Fe(1)Ta6Fe6 cuboctahedra, and faces with eighteen equivalent Fe(2)Ta7Fe5 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Ta(1), two equivalent Ta(3), three equivalent Ta(2), one Fe(1), and four equivalent Fe(2) atoms to form FeTa7Fe5 cuboctahedra that share corners with two equivalent Fe(1)Ta6Fe6 cuboctahedra, corners with thirteen equivalent Fe(2)Ta7Fe5 cuboctahedra, edges with five equivalent Fe(2)Ta7Fe5 cuboctahedra, faces with three equivalent Fe(1)Ta6Fe6 cuboctahedra, and faces with ten equivalent Fe(2)Ta7Fe5 cuboctahedra. is represented by the CIF card [CIF]
data_Ta6Fe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.862
_cell_length_b   4.862
_cell_length_c   9.181
_cell_angle_alpha   74.644
_cell_angle_beta   74.644
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   178.969
_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
  Ta  Ta0  1  0.834  0.834  0.499  1.0
  Ta  Ta1  1  0.166  0.166  0.501  1.0
  Ta  Ta2  1  0.655  0.655  0.036  1.0
  Ta  Ta3  1  0.345  0.345  0.964  1.0
  Ta  Ta4  1  0.551  0.551  0.348  1.0
  Ta  Ta5  1  0.449  0.449  0.652  1.0
  Fe  Fe6  1  0.000  0.000  0.000  1.0
  Fe  Fe7  1  0.910  0.910  0.775  1.0
  Fe  Fe8  1  0.405  0.910  0.775  1.0
  Fe  Fe9  1  0.910  0.405  0.775  1.0
  Fe  Fe10  1  0.090  0.090  0.225  1.0
  Fe  Fe11  1  0.595  0.090  0.225  1.0
  Fe  Fe12  1  0.090  0.595  0.225  1.0
[/CIF]
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