data_Tb3(Al3Os)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3(Al3Os)4
_chemical_formula_sum   'Tb6 Al24 Os8'
_cell_volume   649.88
_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  0.56  0.48  0.18  1.0
  Tb  Tb1  1  0.86  0.19  0.39  1.0
  Tb  Tb2  1  0.29  0.48  0.18  1.0
  Tb  Tb3  1  0.14  0.19  0.39  1.0
  Tb  Tb4  1  0.43  0.71  0.18  1.0
  Tb  Tb5  1  0.0  0.96  0.39  1.0
  Al  Al6  1  0.43  0.56  0.93  1.0
  Al  Al7  1  0.0  0.11  0.65  1.0
  Al  Al8  1  0.0  0.11  0.14  1.0
  Al  Al9  1  0.43  0.56  0.44  1.0
  Al  Al10  1  0.16  0.25  0.73  1.0
  Al  Al11  1  0.27  0.42  0.85  1.0
  Al  Al12  1  0.69  0.25  0.73  1.0
  Al  Al13  1  0.27  0.42  0.51  1.0
  Al  Al14  1  0.73  0.42  0.85  1.0
  Al  Al15  1  0.16  0.25  0.06  1.0
  Al  Al16  1  0.43  0.17  0.73  1.0
  Al  Al17  1  0.73  0.42  0.51  1.0
  Al  Al18  1  0.0  0.49  0.85  1.0
  Al  Al19  1  0.69  0.25  0.06  1.0
  Al  Al20  1  0.0  0.49  0.51  1.0
  Al  Al21  1  0.43  0.17  0.06  1.0
  Al  Al22  1  0.59  0.3  0.18  1.0
  Al  Al23  1  0.84  0.37  0.39  1.0
  Al  Al24  1  0.41  0.3  0.18  1.0
  Al  Al25  1  0.01  0.37  0.39  1.0
  Al  Al26  1  0.0  0.74  0.18  1.0
  Al  Al27  1  0.43  0.92  0.39  1.0
  Al  Al28  1  0.0  0.0  0.18  1.0
  Al  Al29  1  0.0  0.0  0.39  1.0
  Os  Os30  1  0.79  0.83  0.79  1.0
  Os  Os31  1  0.21  0.83  0.79  1.0
  Os  Os32  1  0.79  0.83  0.0  1.0
  Os  Os33  1  0.43  0.0  0.79  1.0
  Os  Os34  1  0.21  0.83  0.0  1.0
  Os  Os35  1  0.43  0.0  0.0  1.0
  Os  Os36  1  0.0  0.0  0.79  1.0
  Os  Os37  1  0.0  0.0  0.0  1.0

data_Tb3(Al3Os)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   9.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3(Al3Os)4
_chemical_formula_sum   'Tb6 Al24 Os8'
_cell_volume   649.88
_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  -0.0  0.96  0.39  1.0
  Tb  Tb1  1  0.14  0.19  0.39  1.0
  Tb  Tb2  1  0.29  0.48  0.18  1.0
  Tb  Tb3  1  0.43  0.71  0.18  1.0
  Tb  Tb4  1  0.56  0.48  0.18  1.0
  Tb  Tb5  1  0.86  0.19  0.39  1.0
  Al  Al6  1  -0.0  0.49  0.51  1.0
  Al  Al7  1  -0.0  0.49  0.85  1.0
  Al  Al8  1  -0.0  0.74  0.18  1.0
  Al  Al9  1  -0.0  0.11  0.14  1.0
  Al  Al10  1  -0.0  0.11  0.65  1.0
  Al  Al11  1  0.0  0.0  0.18  1.0
  Al  Al12  1  0.0  0.0  0.39  1.0
  Al  Al13  1  0.01  0.37  0.39  1.0
  Al  Al14  1  0.16  0.25  0.06  1.0
  Al  Al15  1  0.16  0.25  0.73  1.0
  Al  Al16  1  0.27  0.42  0.51  1.0
  Al  Al17  1  0.27  0.42  0.85  1.0
  Al  Al18  1  0.41  0.3  0.18  1.0
  Al  Al19  1  0.43  0.56  0.44  1.0
  Al  Al20  1  0.43  0.56  0.93  1.0
  Al  Al21  1  0.43  0.92  0.39  1.0
  Al  Al22  1  0.43  0.17  0.06  1.0
  Al  Al23  1  0.43  0.17  0.73  1.0
  Al  Al24  1  0.59  0.3  0.18  1.0
  Al  Al25  1  0.69  0.25  0.06  1.0
  Al  Al26  1  0.69  0.25  0.73  1.0
  Al  Al27  1  0.73  0.42  0.51  1.0
  Al  Al28  1  0.73  0.42  0.85  1.0
  Al  Al29  1  0.84  0.37  0.39  1.0
  Os  Os30  1  0.0  0.0  0.0  1.0
  Os  Os31  1  0.0  0.0  0.79  1.0
  Os  Os32  1  0.21  0.83  0.0  1.0
  Os  Os33  1  0.21  0.83  0.79  1.0
  Os  Os34  1  0.43  0.0  0.0  1.0
  Os  Os35  1  0.43  0.0  0.79  1.0
  Os  Os36  1  0.79  0.83  0.0  1.0
  Os  Os37  1  0.79  0.83  0.79  1.0

Tb Tb Tb Tb Tb Tb Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Os Os Os Os Os Os Os Os
Tb Tb Tb Tb Tb Tb Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Os Os Os Os Os Os Os Os 0 24 o o o 0 22 o o o 1 23 o o o 1 25 + o o 1 27 o - o 2 4 o o o 2 27 o o o 3 29 o o o 3 5 o - o 3 27 o - o 4 27 o o o 5 29 o + o 5 26 o o o 5 27 o o o 6 11 o o o 7 36 o o o 7 10 o o o 8 28 o o o 8 15 o o o 8 37 o o o 9 13 o o o 9 27 o o o 10 11 o o o 10 36 o o o 12 16 o o o 12 14 o o o 12 27 o - o 13 27 o o o 14 18 + o o 15 37 o o o 16 33 o o o 16 27 o - o 17 23 o o o 17 27 o - o 19 22 o o o 19 27 o - o 20 23 - o o 20 25 o o o 20 27 o o o 21 24 o o o 21 35 o o o 21 22 o o o 21 27 o - o 22 24 o o o 22 27 o - o 23 25 + o o 23 27 o - o 24 27 o - o 26 28 o + o 26 34 o o o 26 27 o o o 27 34 o o o 27 31 o o o 27 35 o + o 27 33 o + o 27 29 o + o 28 37 o o o 30 36 + + o 30 32 o o + 31 33 o + o 31 34 o o + 32 37 + + o 34 35 o + o 36 37 o o + 
Tb3(OsAl3)4 crystallizes in the triclinic P1 space group. There are six inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 2-coordinate geometry to one Os(3), one Al(1), one Al(17), one Al(19), and one Al(4) atom. The Tb(1)-Os(3) bond length is 3.25 Å. The Tb(1)-Al(1) bond length is 2.97 Å. The Tb(1)-Al(17) bond length is 1.75 Å. The Tb(1)-Al(19) bond length is 1.51 Å. The Tb(1)-Al(4) bond length is 2.97 Å. In the second Tb site, Tb(2) is bonded in a 2-coordinate geometry to one Al(18), one Al(20), and one Al(22) atom. The Tb(2)-Al(18) bond length is 1.75 Å. The Tb(2)-Al(20) bond length is 1.51 Å. The Tb(2)-Al(22) bond length is 3.36 Å. In the third Tb site, Tb(3) is bonded in a 6-coordinate geometry to one Tb(5), one Al(1), one Al(10), one Al(19), one Al(20), and one Al(4) atom. The Tb(3)-Tb(5) bond length is 1.74 Å. The Tb(3)-Al(1) bond length is 2.68 Å. The Tb(3)-Al(10) bond length is 2.12 Å. The Tb(3)-Al(19) bond length is 2.38 Å. The Tb(3)-Al(20) bond length is 2.93 Å. The Tb(3)-Al(4) bond length is 2.68 Å. In the fourth Tb site, Tb(4) is bonded in a distorted single-bond geometry to one Al(24) and one Al(8) atom. The Tb(4)-Al(24) bond length is 1.48 Å. The Tb(4)-Al(8) bond length is 2.12 Å. In the fifth Tb site, Tb(5) is bonded in a 7-coordinate geometry to one Tb(3), one Os(3), one Os(5), one Os(6), one Al(1), one Al(22), and one Al(4) atom. The Tb(5)-Os(3) bond length is 3.31 Å. The Tb(5)-Os(5) bond length is 3.16 Å. The Tb(5)-Os(6) bond length is 3.14 Å. The Tb(5)-Al(1) bond length is 2.80 Å. The Tb(5)-Al(22) bond length is 2.81 Å. The Tb(5)-Al(4) bond length is 2.80 Å. In the sixth Tb site, Tb(6) is bonded in a single-bond geometry to one Al(24) atom. The Tb(6)-Al(24) bond length is 0.35 Å. There are eight inequivalent Os sites. In the first Os site, Os(1) is bonded in a 4-coordinate geometry to one Os(3), one Os(7), one Al(1), and one Al(2) atom. The Os(1)-Os(3) bond length is 2.03 Å. The Os(1)-Os(7) bond length is 1.72 Å. The Os(1)-Al(1) bond length is 3.18 Å. The Os(1)-Al(2) bond length is 2.59 Å. In the second Os site, Os(2) is bonded in a 3-coordinate geometry to one Os(4), one Os(5), and one Al(13) atom. The Os(2)-Os(4) bond length is 1.72 Å. The Os(2)-Os(5) bond length is 2.03 Å. The Os(2)-Al(13) bond length is 2.69 Å. In the third Os site, Os(3) is bonded in a 7-coordinate geometry to one Tb(1), one Tb(5), one Os(1), one Os(8), one Al(1), one Al(21), and one Al(23) atom. The Os(3)-Os(8) bond length is 1.72 Å. The Os(3)-Al(1) bond length is 2.98 Å. The Os(3)-Al(21) bond length is 2.97 Å. The Os(3)-Al(23) bond length is 2.45 Å. In the fourth Os site, Os(4) is bonded in a distorted single-bond geometry to one Os(2), one Al(11), and one Al(7) atom. The Os(4)-Al(11) bond length is 1.63 Å. The Os(4)-Al(7) bond length is 2.35 Å. In the fifth Os site, Os(5) is bonded in a 5-coordinate geometry to one Tb(5), one Os(2), one Os(6), one Al(13), and one Al(21) atom. The Os(5)-Os(6) bond length is 1.72 Å. The Os(5)-Al(13) bond length is 2.98 Å. The Os(5)-Al(21) bond length is 2.40 Å. In the sixth Os site, Os(6) is bonded in a distorted single-bond geometry to one Tb(5), one Os(5), one Al(14), and one Al(16) atom. The Os(6)-Al(14) bond length is 2.35 Å. The Os(6)-Al(16) bond length is 1.63 Å. In the seventh Os site, Os(7) is bonded in a 1-coordinate geometry to one Os(1), one Os(8), one Al(2), and one Al(5) atom. The Os(7)-Os(8) bond length is 2.03 Å. The Os(7)-Al(2) bond length is 1.64 Å. The Os(7)-Al(5) bond length is 2.02 Å. In the eighth Os site, Os(8) is bonded in a 5-coordinate geometry to one Os(3), one Os(7), one Al(10), one Al(23), and one Al(3) atom. The Os(8)-Al(10) bond length is 2.02 Å. The Os(8)-Al(23) bond length is 1.75 Å. The Os(8)-Al(3) bond length is 1.64 Å. There are twenty-four inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to one Tb(1), one Tb(3), one Tb(5), one Os(1), one Os(3), and one Al(6) atom. The Al(1)-Al(6) bond length is 1.50 Å. In the second Al site, Al(2) is bonded in a 1-coordinate geometry to one Os(1), one Os(7), and one Al(5) atom. The Al(2)-Al(5) bond length is 1.50 Å. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to one Os(8), one Al(10), and one Al(23) atom. The Al(3)-Al(10) bond length is 1.50 Å. The Al(3)-Al(23) bond length is 1.07 Å. In the fourth Al site, Al(4) is bonded in a 4-coordinate geometry to one Tb(1), one Tb(3), one Tb(5), and one Al(8) atom. The Al(4)-Al(8) bond length is 1.50 Å. In the fifth Al site, Al(5) is bonded in a 5-coordinate geometry to one Os(7), one Al(11), one Al(2), one Al(6), and one Al(8) atom. The Al(5)-Al(11) bond length is 2.75 Å. The Al(5)-Al(6) bond length is 1.80 Å. The Al(5)-Al(8) bond length is 2.42 Å. In the sixth Al site, Al(6) is bonded in a 4-coordinate geometry to one Al(1), one Al(10), one Al(13), and one Al(5) atom. The Al(6)-Al(10) bond length is 2.42 Å. The Al(6)-Al(13) bond length is 2.75 Å. In the seventh Al site, Al(7) is bonded in a 4-coordinate geometry to one Os(4), one Al(11), one Al(12), and one Al(9) atom. The Al(7)-Al(11) bond length is 2.10 Å. The Al(7)-Al(12) bond length is 2.45 Å. The Al(7)-Al(9) bond length is 1.83 Å. In the eighth Al site, Al(8) is bonded in a 2-coordinate geometry to one Tb(4), one Al(4), and one Al(5) atom. In the ninth Al site, Al(9) is bonded in a 3-coordinate geometry to one Al(13), one Al(14), and one Al(7) atom. The Al(9)-Al(13) bond length is 2.10 Å. The Al(9)-Al(14) bond length is 2.45 Å. In the tenth Al site, Al(10) is bonded in a 3-coordinate geometry to one Tb(3), one Os(8), one Al(3), and one Al(6) atom. In the eleventh Al site, Al(11) is bonded in a single-bond geometry to one Os(4), one Al(5), and one Al(7) atom. In the twelfth Al site, Al(12) is bonded in a 1-coordinate geometry to one Al(18) and one Al(7) atom. The Al(12)-Al(18) bond length is 1.65 Å. In the thirteenth Al site, Al(13) is bonded in a 4-coordinate geometry to one Os(2), one Os(5), one Al(6), and one Al(9) atom. In the fourteenth Al site, Al(14) is bonded in a 4-coordinate geometry to one Os(6), one Al(16), one Al(17), and one Al(9) atom. The Al(14)-Al(16) bond length is 2.10 Å. The Al(14)-Al(17) bond length is 1.65 Å. In the fifteenth Al site, Al(15) is bonded in a 2-coordinate geometry to one Al(18) and one Al(20) atom. The Al(15)-Al(18) bond length is 1.73 Å. The Al(15)-Al(20) bond length is 1.63 Å. In the sixteenth Al site, Al(16) is bonded in a distorted single-bond geometry to one Os(6), one Al(14), and one Al(17) atom. The Al(16)-Al(17) bond length is 1.73 Å. In the seventeenth Al site, Al(17) is bonded in a 4-coordinate geometry to one Tb(1), one Al(14), one Al(16), and one Al(19) atom. The Al(17)-Al(19) bond length is 1.56 Å. In the eighteenth Al site, Al(18) is bonded in a 4-coordinate geometry to one Tb(2), one Al(12), one Al(15), and one Al(20) atom. The Al(18)-Al(20) bond length is 1.56 Å. In the nineteenth Al site, Al(19) is bonded in a distorted single-bond geometry to one Tb(1), one Tb(3), and one Al(17) atom. In the twentieth Al site, Al(20) is bonded in a distorted single-bond geometry to one Tb(2), one Tb(3), one Al(15), and one Al(18) atom. In the twenty-first Al site, Al(21) is bonded in a distorted single-bond geometry to one Os(3) and one Os(5) atom. In the twenty-second Al site, Al(22) is bonded in a distorted L-shaped geometry to one Tb(2) and one Tb(5) atom. In the twenty-third Al site, Al(23) is bonded in a 2-coordinate geometry to one Os(3), one Os(8), and one Al(3) atom. In the twenty-fourth Al site, Al(24) is bonded in a 2-coordinate geometry to one Tb(4) and one Tb(6) atom.