The structure described by Nb6Zn7 is Frank-Kasper $\mu$ Phase structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 15-coordinate geometry to three equivalent Nb(1), six equivalent Nb(3), and six equivalent Zn(2) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(3), three equivalent Nb(2), three equivalent Zn(1), and nine equivalent Zn(2) atoms. In the third Nb site, Nb(3) is bonded in a 14-coordinate geometry to one Nb(2), one Nb(3), six equivalent Nb(1), and six equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Nb(2) and six equivalent Zn(2) atoms to form ZnNb6Zn6 cuboctahedra that share corners with twelve equivalent Zn(2)Nb7Zn5 cuboctahedra, edges with six equivalent Zn(1)Nb6Zn6 cuboctahedra, and faces with eighteen equivalent Zn(2)Nb7Zn5 cuboctahedra. In the second Zn site, Zn(2) is bonded to two equivalent Nb(1), two equivalent Nb(3), three equivalent Nb(2), one Zn(1), and four equivalent Zn(2) atoms to form ZnNb7Zn5 cuboctahedra that share corners with two equivalent Zn(1)Nb6Zn6 cuboctahedra, corners with thirteen equivalent Zn(2)Nb7Zn5 cuboctahedra, edges with five equivalent Zn(2)Nb7Zn5 cuboctahedra, faces with three equivalent Zn(1)Nb6Zn6 cuboctahedra, and faces with ten equivalent Zn(2)Nb7Zn5 cuboctahedra. is represented by the CIF card [CIF]
data_Nb6Zn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.098
_cell_length_b   5.098
_cell_length_c   9.633
_cell_angle_alpha   74.654
_cell_angle_beta   74.654
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   206.469
_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  0.836  0.836  0.493  1.0
  Nb  Nb1  1  0.164  0.164  0.507  1.0
  Nb  Nb2  1  0.650  0.650  0.050  1.0
  Nb  Nb3  1  0.350  0.350  0.950  1.0
  Nb  Nb4  1  0.545  0.545  0.365  1.0
  Nb  Nb5  1  0.455  0.455  0.635  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Zn  Zn7  1  0.907  0.907  0.773  1.0
  Zn  Zn8  1  0.414  0.907  0.773  1.0
  Zn  Zn9  1  0.907  0.414  0.773  1.0
  Zn  Zn10  1  0.093  0.093  0.227  1.0
  Zn  Zn11  1  0.586  0.093  0.227  1.0
  Zn  Zn12  1  0.093  0.586  0.227  1.0
[/CIF]
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The structure described by Nb6Zn7 is Frank-Kasper $\mu$ Phase structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 15-coordinate geometry to three equivalent Nb(1), six equivalent Nb(3), and six equivalent Zn(2) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(3), three equivalent Nb(2), three equivalent Zn(1), and nine equivalent Zn(2) atoms. In the third Nb site, Nb(3) is bonded in a 14-coordinate geometry to one Nb(2), one Nb(3), six equivalent Nb(1), and six equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to six equivalent Nb(2) and six equivalent Zn(2) atoms to form ZnNb6Zn6 cuboctahedra that share corners with twelve equivalent Zn(2)Nb7Zn5 cuboctahedra, edges with six equivalent Zn(1)Nb6Zn6 cuboctahedra, and faces with eighteen equivalent Zn(2)Nb7Zn5 cuboctahedra. In the second Zn site, Zn(2) is bonded to two equivalent Nb(1), two equivalent Nb(3), three equivalent Nb(2), one Zn(1), and four equivalent Zn(2) atoms to form ZnNb7Zn5 cuboctahedra that share corners with two equivalent Zn(1)Nb6Zn6 cuboctahedra, corners with thirteen equivalent Zn(2)Nb7Zn5 cuboctahedra, edges with five equivalent Zn(2)Nb7Zn5 cuboctahedra, faces with three equivalent Zn(1)Nb6Zn6 cuboctahedra, and faces with ten equivalent Zn(2)Nb7Zn5 cuboctahedra. is represented by the CIF card [CIF]
data_Nb6Zn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.098
_cell_length_b   5.098
_cell_length_c   9.633
_cell_angle_alpha   74.654
_cell_angle_beta   74.654
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   206.469
_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  0.836  0.836  0.493  1.0
  Nb  Nb1  1  0.164  0.164  0.507  1.0
  Nb  Nb2  1  0.650  0.650  0.050  1.0
  Nb  Nb3  1  0.350  0.350  0.950  1.0
  Nb  Nb4  1  0.545  0.545  0.365  1.0
  Nb  Nb5  1  0.455  0.455  0.635  1.0
  Zn  Zn6  1  0.000  0.000  0.000  1.0
  Zn  Zn7  1  0.907  0.907  0.773  1.0
  Zn  Zn8  1  0.414  0.907  0.773  1.0
  Zn  Zn9  1  0.907  0.414  0.773  1.0
  Zn  Zn10  1  0.093  0.093  0.227  1.0
  Zn  Zn11  1  0.586  0.093  0.227  1.0
  Zn  Zn12  1  0.093  0.586  0.227  1.0
[/CIF]
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