The material structure described by Tb3Ru4Al12 crystallizes in the hexagonal P6_3/mmc space group. Tb(1) is bonded in a 15-coordinate geometry to four equivalent Ru(2), one Al(4), two equivalent Al(1), two equivalent Al(3), and six equivalent Al(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(2) is bonded in a 8-coordinate geometry to four equivalent Tb(1), two equivalent Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the second Ru site, Ru(1) is bonded in a body-centered cubic geometry to two equivalent Al(4) and six equivalent Al(2) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Tb(1) and two equivalent Ru(2) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Tb(1), one Ru(1), and two equivalent Ru(2) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to three equivalent Tb(1) and three equivalent Ru(2) atoms. In the fourth Al site, Al(4) is bonded to three equivalent Tb(1) and two equivalent Ru(1) atoms to form distorted corner-sharing AlTb3Ru2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Tb3(Al3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.771
_cell_length_b   8.771
_cell_length_c   9.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   634.478
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.385  0.192  0.250  1.0
  Tb  Tb1  1  0.808  0.192  0.250  1.0
  Tb  Tb2  1  0.808  0.615  0.250  1.0
  Tb  Tb3  1  0.615  0.808  0.750  1.0
  Tb  Tb4  1  0.192  0.808  0.750  1.0
  Tb  Tb5  1  0.192  0.385  0.750  1.0
  Al  Al6  1  0.439  0.877  0.250  1.0
  Al  Al7  1  0.123  0.561  0.250  1.0
  Al  Al8  1  0.439  0.561  0.250  1.0
  Al  Al9  1  0.561  0.123  0.750  1.0
  Al  Al10  1  0.877  0.439  0.750  1.0
  Al  Al11  1  0.561  0.439  0.750  1.0
  Al  Al12  1  0.163  0.837  0.423  1.0
  Al  Al13  1  0.163  0.325  0.423  1.0
  Al  Al14  1  0.675  0.837  0.423  1.0
  Al  Al15  1  0.837  0.163  0.577  1.0
  Al  Al16  1  0.837  0.675  0.577  1.0
  Al  Al17  1  0.325  0.163  0.577  1.0
  Al  Al18  1  0.837  0.163  0.923  1.0
  Al  Al19  1  0.837  0.675  0.923  1.0
  Al  Al20  1  0.325  0.163  0.923  1.0
  Al  Al21  1  0.163  0.837  0.077  1.0
  Al  Al22  1  0.163  0.325  0.077  1.0
  Al  Al23  1  0.675  0.837  0.077  1.0
  Al  Al24  1  0.333  0.667  0.510  1.0
  Al  Al25  1  0.667  0.333  0.490  1.0
  Al  Al26  1  0.667  0.333  0.010  1.0
  Al  Al27  1  0.333  0.667  0.990  1.0
  Al  Al28  1  1.000  1.000  0.250  1.0
  Al  Al29  1  0.000  0.000  0.750  1.0
  Ru  Ru30  1  1.000  1.000  0.500  1.0
  Ru  Ru31  1  0.000  0.000  0.000  1.0
  Ru  Ru32  1  0.500  1.000  0.500  1.0
  Ru  Ru33  1  0.000  0.500  0.500  1.0
  Ru  Ru34  1  0.500  0.500  0.500  1.0
  Ru  Ru35  1  0.500  1.000  0.000  1.0
  Ru  Ru36  1  0.000  0.500  0.000  1.0
  Ru  Ru37  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Tb3Ru4Al12 crystallizes in the hexagonal P6_3/mmc space group. Tb(1) is bonded in a 15-coordinate geometry to four equivalent Ru(2), one Al(4), two equivalent Al(1), two equivalent Al(3), and six equivalent Al(2) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(2) is bonded in a 8-coordinate geometry to four equivalent Tb(1), two equivalent Al(1), two equivalent Al(3), and four equivalent Al(2) atoms. In the second Ru site, Ru(1) is bonded in a body-centered cubic geometry to two equivalent Al(4) and six equivalent Al(2) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to two equivalent Tb(1) and two equivalent Ru(2) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to three equivalent Tb(1), one Ru(1), and two equivalent Ru(2) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to three equivalent Tb(1) and three equivalent Ru(2) atoms. In the fourth Al site, Al(4) is bonded to three equivalent Tb(1) and two equivalent Ru(1) atoms to form distorted corner-sharing AlTb3Ru2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Tb3(Al3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.771
_cell_length_b   8.771
_cell_length_c   9.522
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   634.478
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.385  0.192  0.250  1.0
  Tb  Tb1  1  0.808  0.192  0.250  1.0
  Tb  Tb2  1  0.808  0.615  0.250  1.0
  Tb  Tb3  1  0.615  0.808  0.750  1.0
  Tb  Tb4  1  0.192  0.808  0.750  1.0
  Tb  Tb5  1  0.192  0.385  0.750  1.0
  Al  Al6  1  0.439  0.877  0.250  1.0
  Al  Al7  1  0.123  0.561  0.250  1.0
  Al  Al8  1  0.439  0.561  0.250  1.0
  Al  Al9  1  0.561  0.123  0.750  1.0
  Al  Al10  1  0.877  0.439  0.750  1.0
  Al  Al11  1  0.561  0.439  0.750  1.0
  Al  Al12  1  0.163  0.837  0.423  1.0
  Al  Al13  1  0.163  0.325  0.423  1.0
  Al  Al14  1  0.675  0.837  0.423  1.0
  Al  Al15  1  0.837  0.163  0.577  1.0
  Al  Al16  1  0.837  0.675  0.577  1.0
  Al  Al17  1  0.325  0.163  0.577  1.0
  Al  Al18  1  0.837  0.163  0.923  1.0
  Al  Al19  1  0.837  0.675  0.923  1.0
  Al  Al20  1  0.325  0.163  0.923  1.0
  Al  Al21  1  0.163  0.837  0.077  1.0
  Al  Al22  1  0.163  0.325  0.077  1.0
  Al  Al23  1  0.675  0.837  0.077  1.0
  Al  Al24  1  0.333  0.667  0.510  1.0
  Al  Al25  1  0.667  0.333  0.490  1.0
  Al  Al26  1  0.667  0.333  0.010  1.0
  Al  Al27  1  0.333  0.667  0.990  1.0
  Al  Al28  1  1.000  1.000  0.250  1.0
  Al  Al29  1  0.000  0.000  0.750  1.0
  Ru  Ru30  1  1.000  1.000  0.500  1.0
  Ru  Ru31  1  0.000  0.000  0.000  1.0
  Ru  Ru32  1  0.500  1.000  0.500  1.0
  Ru  Ru33  1  0.000  0.500  0.500  1.0
  Ru  Ru34  1  0.500  0.500  0.500  1.0
  Ru  Ru35  1  0.500  1.000  0.000  1.0
  Ru  Ru36  1  0.000  0.500  0.000  1.0
  Ru  Ru37  1  0.500  0.500  0.000  1.0
[/CIF]
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