The compound described by Mg11Tb17Ni8 crystallizes in the orthorhombic Pmmm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent Tb(1), and four equivalent Tb(5) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to one Mg(2), four equivalent Tb(2), and four equivalent Tb(6) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to one Mg(3), two equivalent Tb(1), two equivalent Tb(2), two equivalent Tb(3), two equivalent Tb(4), and one Ni(2) atom. In the fourth Mg site, Mg(4) is bonded in a body-centered cubic geometry to four equivalent Tb(1) and four equivalent Tb(2) atoms. In the fifth Mg site, Mg(5) is bonded in a distorted square co-planar geometry to four equivalent Ni(2) atoms. There are seven inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a distorted L-shaped geometry to two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Ni(1) atoms. In the second Tb site, Tb(2) is bonded in a distorted L-shaped geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Ni(2) atoms. In the third Tb site, Tb(3) is bonded in a 4-coordinate geometry to four equivalent Mg(3) and four equivalent Ni(1) atoms. In the fourth Tb site, Tb(4) is bonded in a 4-coordinate geometry to four equivalent Mg(3) and four equivalent Ni(2) atoms. In the fifth Tb site, Tb(5) is bonded in a 4-coordinate geometry to four equivalent Mg(1) and four equivalent Ni(1) atoms. In the sixth Tb site, Tb(6) is bonded in a 4-coordinate geometry to four equivalent Mg(2) and four equivalent Ni(2) atoms. In the seventh Tb site, Tb(7) is bonded in a square co-planar geometry to four equivalent Ni(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Tb(7), two equivalent Tb(1), two equivalent Tb(3), and two equivalent Tb(5) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Mg(3), one Mg(5), two equivalent Tb(2), two equivalent Tb(4), and two equivalent Tb(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb17Mg11Ni8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.596
_cell_length_b   10.909
_cell_length_c   21.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   857.306
_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
  Tb  Tb0  1  0.500  0.318  0.162  1.0
  Tb  Tb1  1  0.500  0.327  0.660  1.0
  Tb  Tb2  1  0.500  0.673  0.340  1.0
  Tb  Tb3  1  0.500  0.682  0.838  1.0
  Tb  Tb4  1  0.500  0.682  0.162  1.0
  Tb  Tb5  1  0.500  0.673  0.660  1.0
  Tb  Tb6  1  0.500  0.327  0.340  1.0
  Tb  Tb7  1  0.500  0.318  0.838  1.0
  Tb  Tb8  1  0.500  0.000  0.139  1.0
  Tb  Tb9  1  0.500  0.000  0.628  1.0
  Tb  Tb10  1  0.500  0.000  0.372  1.0
  Tb  Tb11  1  0.500  0.000  0.861  1.0
  Tb  Tb12  1  0.500  0.724  0.000  1.0
  Tb  Tb13  1  0.500  0.742  0.500  1.0
  Tb  Tb14  1  0.500  0.276  0.000  1.0
  Tb  Tb15  1  0.500  0.258  0.500  1.0
  Tb  Tb16  1  0.000  0.000  0.000  1.0
  Mg  Mg17  1  0.000  0.500  0.073  1.0
  Mg  Mg18  1  0.000  0.500  0.568  1.0
  Mg  Mg19  1  0.000  0.500  0.432  1.0
  Mg  Mg20  1  0.000  0.500  0.927  1.0
  Mg  Mg21  1  0.000  0.859  0.255  1.0
  Mg  Mg22  1  0.000  0.859  0.745  1.0
  Mg  Mg23  1  0.000  0.141  0.255  1.0
  Mg  Mg24  1  0.000  0.141  0.745  1.0
  Mg  Mg25  1  0.000  0.500  0.249  1.0
  Mg  Mg26  1  0.000  0.500  0.751  1.0
  Mg  Mg27  1  0.000  0.000  0.500  1.0
  Ni  Ni28  1  0.000  0.189  0.094  1.0
  Ni  Ni29  1  0.000  0.192  0.596  1.0
  Ni  Ni30  1  0.000  0.808  0.404  1.0
  Ni  Ni31  1  0.000  0.811  0.906  1.0
  Ni  Ni32  1  0.000  0.811  0.094  1.0
  Ni  Ni33  1  0.000  0.808  0.596  1.0
  Ni  Ni34  1  0.000  0.192  0.404  1.0
  Ni  Ni35  1  0.000  0.189  0.906  1.0
[/CIF]
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The compound described by Mg11Tb17Ni8 crystallizes in the orthorhombic Pmmm space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent Tb(1), and four equivalent Tb(5) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to one Mg(2), four equivalent Tb(2), and four equivalent Tb(6) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to one Mg(3), two equivalent Tb(1), two equivalent Tb(2), two equivalent Tb(3), two equivalent Tb(4), and one Ni(2) atom. In the fourth Mg site, Mg(4) is bonded in a body-centered cubic geometry to four equivalent Tb(1) and four equivalent Tb(2) atoms. In the fifth Mg site, Mg(5) is bonded in a distorted square co-planar geometry to four equivalent Ni(2) atoms. There are seven inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a distorted L-shaped geometry to two equivalent Mg(1), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Ni(1) atoms. In the second Tb site, Tb(2) is bonded in a distorted L-shaped geometry to two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Ni(2) atoms. In the third Tb site, Tb(3) is bonded in a 4-coordinate geometry to four equivalent Mg(3) and four equivalent Ni(1) atoms. In the fourth Tb site, Tb(4) is bonded in a 4-coordinate geometry to four equivalent Mg(3) and four equivalent Ni(2) atoms. In the fifth Tb site, Tb(5) is bonded in a 4-coordinate geometry to four equivalent Mg(1) and four equivalent Ni(1) atoms. In the sixth Tb site, Tb(6) is bonded in a 4-coordinate geometry to four equivalent Mg(2) and four equivalent Ni(2) atoms. In the seventh Tb site, Tb(7) is bonded in a square co-planar geometry to four equivalent Ni(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to one Tb(7), two equivalent Tb(1), two equivalent Tb(3), and two equivalent Tb(5) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one Mg(3), one Mg(5), two equivalent Tb(2), two equivalent Tb(4), and two equivalent Tb(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb17Mg11Ni8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.596
_cell_length_b   10.909
_cell_length_c   21.853
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   857.306
_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
  Tb  Tb0  1  0.500  0.318  0.162  1.0
  Tb  Tb1  1  0.500  0.327  0.660  1.0
  Tb  Tb2  1  0.500  0.673  0.340  1.0
  Tb  Tb3  1  0.500  0.682  0.838  1.0
  Tb  Tb4  1  0.500  0.682  0.162  1.0
  Tb  Tb5  1  0.500  0.673  0.660  1.0
  Tb  Tb6  1  0.500  0.327  0.340  1.0
  Tb  Tb7  1  0.500  0.318  0.838  1.0
  Tb  Tb8  1  0.500  0.000  0.139  1.0
  Tb  Tb9  1  0.500  0.000  0.628  1.0
  Tb  Tb10  1  0.500  0.000  0.372  1.0
  Tb  Tb11  1  0.500  0.000  0.861  1.0
  Tb  Tb12  1  0.500  0.724  0.000  1.0
  Tb  Tb13  1  0.500  0.742  0.500  1.0
  Tb  Tb14  1  0.500  0.276  0.000  1.0
  Tb  Tb15  1  0.500  0.258  0.500  1.0
  Tb  Tb16  1  0.000  0.000  0.000  1.0
  Mg  Mg17  1  0.000  0.500  0.073  1.0
  Mg  Mg18  1  0.000  0.500  0.568  1.0
  Mg  Mg19  1  0.000  0.500  0.432  1.0
  Mg  Mg20  1  0.000  0.500  0.927  1.0
  Mg  Mg21  1  0.000  0.859  0.255  1.0
  Mg  Mg22  1  0.000  0.859  0.745  1.0
  Mg  Mg23  1  0.000  0.141  0.255  1.0
  Mg  Mg24  1  0.000  0.141  0.745  1.0
  Mg  Mg25  1  0.000  0.500  0.249  1.0
  Mg  Mg26  1  0.000  0.500  0.751  1.0
  Mg  Mg27  1  0.000  0.000  0.500  1.0
  Ni  Ni28  1  0.000  0.189  0.094  1.0
  Ni  Ni29  1  0.000  0.192  0.596  1.0
  Ni  Ni30  1  0.000  0.808  0.404  1.0
  Ni  Ni31  1  0.000  0.811  0.906  1.0
  Ni  Ni32  1  0.000  0.811  0.094  1.0
  Ni  Ni33  1  0.000  0.808  0.596  1.0
  Ni  Ni34  1  0.000  0.192  0.404  1.0
  Ni  Ni35  1  0.000  0.189  0.906  1.0
[/CIF]
.