The structure described by Zr6Rh7Al16 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Rh(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded to four equivalent Zr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted RhZr4Al8 cuboctahedra that share corners with four equivalent Rh(2)Zr4Al8 cuboctahedra, corners with eight equivalent Al(1)Zr3Rh4 tetrahedra, edges with four equivalent Al(1)Zr3Rh4 tetrahedra, and faces with eight equivalent Rh(2)Zr4Al8 cuboctahedra. In the second Rh site, Rh(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Zr(1) and three equivalent Rh(2) atoms. In the second Al site, Al(1) is bonded to three equivalent Zr(1), one Rh(1), and three equivalent Rh(2) atoms to form distorted AlZr3Rh4 tetrahedra that share corners with six equivalent Rh(2)Zr4Al8 cuboctahedra, corners with seven equivalent Al(1)Zr3Rh4 tetrahedra, edges with three equivalent Rh(2)Zr4Al8 cuboctahedra, edges with three equivalent Al(1)Zr3Rh4 tetrahedra, and faces with three equivalent Al(1)Zr3Rh4 tetrahedra. is represented by the CIF card [CIF]
data_Zr6Al16Rh7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.752
_cell_length_b   8.752
_cell_length_c   8.752
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   473.961
_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
  Zr  Zr0  1  0.690  0.690  0.310  1.0
  Zr  Zr1  1  0.310  0.690  0.310  1.0
  Zr  Zr2  1  0.690  0.310  0.310  1.0
  Zr  Zr3  1  0.310  0.310  0.690  1.0
  Zr  Zr4  1  0.690  0.310  0.690  1.0
  Zr  Zr5  1  0.310  0.690  0.690  1.0
  Al  Al6  1  0.880  0.880  0.360  1.0
  Al  Al7  1  0.880  0.360  0.880  1.0
  Al  Al8  1  0.360  0.880  0.880  1.0
  Al  Al9  1  0.880  0.880  0.880  1.0
  Al  Al10  1  0.120  0.120  0.640  1.0
  Al  Al11  1  0.120  0.640  0.120  1.0
  Al  Al12  1  0.640  0.120  0.120  1.0
  Al  Al13  1  0.120  0.120  0.120  1.0
  Al  Al14  1  0.663  0.663  0.011  1.0
  Al  Al15  1  0.663  0.011  0.663  1.0
  Al  Al16  1  0.011  0.663  0.663  1.0
  Al  Al17  1  0.663  0.663  0.663  1.0
  Al  Al18  1  0.337  0.337  0.989  1.0
  Al  Al19  1  0.337  0.989  0.337  1.0
  Al  Al20  1  0.989  0.337  0.337  1.0
  Al  Al21  1  0.337  0.337  0.337  1.0
  Rh  Rh22  1  0.000  0.000  0.000  1.0
  Rh  Rh23  1  0.000  0.000  0.500  1.0
  Rh  Rh24  1  0.500  0.000  0.500  1.0
  Rh  Rh25  1  0.000  0.500  0.500  1.0
  Rh  Rh26  1  0.500  0.500  0.000  1.0
  Rh  Rh27  1  0.000  0.500  0.000  1.0
  Rh  Rh28  1  0.500  0.000  0.000  1.0
[/CIF]
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The structure described by Zr6Rh7Al16 crystallizes in the cubic Fm-3m space group. Zr(1) is bonded in a 12-coordinate geometry to four equivalent Rh(2), four equivalent Al(1), and four equivalent Al(2) atoms. There are two inequivalent Rh sites. In the first Rh site, Rh(2) is bonded to four equivalent Zr(1), four equivalent Al(1), and four equivalent Al(2) atoms to form distorted RhZr4Al8 cuboctahedra that share corners with four equivalent Rh(2)Zr4Al8 cuboctahedra, corners with eight equivalent Al(1)Zr3Rh4 tetrahedra, edges with four equivalent Al(1)Zr3Rh4 tetrahedra, and faces with eight equivalent Rh(2)Zr4Al8 cuboctahedra. In the second Rh site, Rh(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Zr(1) and three equivalent Rh(2) atoms. In the second Al site, Al(1) is bonded to three equivalent Zr(1), one Rh(1), and three equivalent Rh(2) atoms to form distorted AlZr3Rh4 tetrahedra that share corners with six equivalent Rh(2)Zr4Al8 cuboctahedra, corners with seven equivalent Al(1)Zr3Rh4 tetrahedra, edges with three equivalent Rh(2)Zr4Al8 cuboctahedra, edges with three equivalent Al(1)Zr3Rh4 tetrahedra, and faces with three equivalent Al(1)Zr3Rh4 tetrahedra. is represented by the CIF card [CIF]
data_Zr6Al16Rh7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.752
_cell_length_b   8.752
_cell_length_c   8.752
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   473.961
_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
  Zr  Zr0  1  0.690  0.690  0.310  1.0
  Zr  Zr1  1  0.310  0.690  0.310  1.0
  Zr  Zr2  1  0.690  0.310  0.310  1.0
  Zr  Zr3  1  0.310  0.310  0.690  1.0
  Zr  Zr4  1  0.690  0.310  0.690  1.0
  Zr  Zr5  1  0.310  0.690  0.690  1.0
  Al  Al6  1  0.880  0.880  0.360  1.0
  Al  Al7  1  0.880  0.360  0.880  1.0
  Al  Al8  1  0.360  0.880  0.880  1.0
  Al  Al9  1  0.880  0.880  0.880  1.0
  Al  Al10  1  0.120  0.120  0.640  1.0
  Al  Al11  1  0.120  0.640  0.120  1.0
  Al  Al12  1  0.640  0.120  0.120  1.0
  Al  Al13  1  0.120  0.120  0.120  1.0
  Al  Al14  1  0.663  0.663  0.011  1.0
  Al  Al15  1  0.663  0.011  0.663  1.0
  Al  Al16  1  0.011  0.663  0.663  1.0
  Al  Al17  1  0.663  0.663  0.663  1.0
  Al  Al18  1  0.337  0.337  0.989  1.0
  Al  Al19  1  0.337  0.989  0.337  1.0
  Al  Al20  1  0.989  0.337  0.337  1.0
  Al  Al21  1  0.337  0.337  0.337  1.0
  Rh  Rh22  1  0.000  0.000  0.000  1.0
  Rh  Rh23  1  0.000  0.000  0.500  1.0
  Rh  Rh24  1  0.500  0.000  0.500  1.0
  Rh  Rh25  1  0.000  0.500  0.500  1.0
  Rh  Rh26  1  0.500  0.500  0.000  1.0
  Rh  Rh27  1  0.000  0.500  0.000  1.0
  Rh  Rh28  1  0.500  0.000  0.000  1.0
[/CIF]
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