The compound described by Sn4Tb5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms to form a mixture of distorted face, corner, and edge-sharing TbSn6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 39-41°. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to one Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the third Tb site, Tb(3) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form a mixture of face and corner-sharing TbSn6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(3), four equivalent Tb(2), and one Sn(2) atom. In the second Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Tb(3), three equivalent Tb(1), and four equivalent Tb(2) atoms. In the third Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Tb(2), two equivalent Tb(3), four equivalent Tb(1), and one Sn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.096
_cell_length_b   8.173
_cell_length_c   15.504
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1025.838
_cell_formula_units_Z   4
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  0.380  0.840  0.881  1.0
  Tb  Tb1  1  0.880  0.660  0.619  1.0
  Tb  Tb2  1  0.620  0.160  0.381  1.0
  Tb  Tb3  1  0.120  0.340  0.119  1.0
  Tb  Tb4  1  0.620  0.160  0.119  1.0
  Tb  Tb5  1  0.120  0.340  0.381  1.0
  Tb  Tb6  1  0.380  0.840  0.619  1.0
  Tb  Tb7  1  0.880  0.660  0.881  1.0
  Tb  Tb8  1  0.534  0.323  0.899  1.0
  Tb  Tb9  1  0.034  0.177  0.601  1.0
  Tb  Tb10  1  0.466  0.677  0.399  1.0
  Tb  Tb11  1  0.966  0.823  0.101  1.0
  Tb  Tb12  1  0.466  0.677  0.101  1.0
  Tb  Tb13  1  0.966  0.823  0.399  1.0
  Tb  Tb14  1  0.534  0.323  0.601  1.0
  Tb  Tb15  1  0.034  0.177  0.899  1.0
  Tb  Tb16  1  0.212  0.503  0.750  1.0
  Tb  Tb17  1  0.712  0.997  0.750  1.0
  Tb  Tb18  1  0.788  0.497  0.250  1.0
  Tb  Tb19  1  0.288  0.003  0.250  1.0
  Sn  Sn20  1  0.280  0.032  0.043  1.0
  Sn  Sn21  1  0.780  0.468  0.457  1.0
  Sn  Sn22  1  0.720  0.968  0.543  1.0
  Sn  Sn23  1  0.220  0.532  0.957  1.0
  Sn  Sn24  1  0.720  0.968  0.957  1.0
  Sn  Sn25  1  0.220  0.532  0.543  1.0
  Sn  Sn26  1  0.280  0.032  0.457  1.0
  Sn  Sn27  1  0.780  0.468  0.043  1.0
  Sn  Sn28  1  0.578  0.621  0.750  1.0
  Sn  Sn29  1  0.078  0.879  0.750  1.0
  Sn  Sn30  1  0.422  0.379  0.250  1.0
  Sn  Sn31  1  0.922  0.121  0.250  1.0
  Sn  Sn32  1  0.341  0.144  0.750  1.0
  Sn  Sn33  1  0.841  0.356  0.750  1.0
  Sn  Sn34  1  0.659  0.856  0.250  1.0
  Sn  Sn35  1  0.159  0.644  0.250  1.0
[/CIF]
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The compound described by Sn4Tb5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one Sn(3), two equivalent Sn(2), and three equivalent Sn(1) atoms to form a mixture of distorted face, corner, and edge-sharing TbSn6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 39-41°. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to one Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the third Tb site, Tb(3) is bonded to two equivalent Sn(1), two equivalent Sn(2), and two equivalent Sn(3) atoms to form a mixture of face and corner-sharing TbSn6 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are three inequivalent Sn sites. In the first Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(3), four equivalent Tb(2), and one Sn(2) atom. In the second Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Tb(3), three equivalent Tb(1), and four equivalent Tb(2) atoms. In the third Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Tb(2), two equivalent Tb(3), four equivalent Tb(1), and one Sn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb5Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.096
_cell_length_b   8.173
_cell_length_c   15.504
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1025.838
_cell_formula_units_Z   4
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  0.380  0.840  0.881  1.0
  Tb  Tb1  1  0.880  0.660  0.619  1.0
  Tb  Tb2  1  0.620  0.160  0.381  1.0
  Tb  Tb3  1  0.120  0.340  0.119  1.0
  Tb  Tb4  1  0.620  0.160  0.119  1.0
  Tb  Tb5  1  0.120  0.340  0.381  1.0
  Tb  Tb6  1  0.380  0.840  0.619  1.0
  Tb  Tb7  1  0.880  0.660  0.881  1.0
  Tb  Tb8  1  0.534  0.323  0.899  1.0
  Tb  Tb9  1  0.034  0.177  0.601  1.0
  Tb  Tb10  1  0.466  0.677  0.399  1.0
  Tb  Tb11  1  0.966  0.823  0.101  1.0
  Tb  Tb12  1  0.466  0.677  0.101  1.0
  Tb  Tb13  1  0.966  0.823  0.399  1.0
  Tb  Tb14  1  0.534  0.323  0.601  1.0
  Tb  Tb15  1  0.034  0.177  0.899  1.0
  Tb  Tb16  1  0.212  0.503  0.750  1.0
  Tb  Tb17  1  0.712  0.997  0.750  1.0
  Tb  Tb18  1  0.788  0.497  0.250  1.0
  Tb  Tb19  1  0.288  0.003  0.250  1.0
  Sn  Sn20  1  0.280  0.032  0.043  1.0
  Sn  Sn21  1  0.780  0.468  0.457  1.0
  Sn  Sn22  1  0.720  0.968  0.543  1.0
  Sn  Sn23  1  0.220  0.532  0.957  1.0
  Sn  Sn24  1  0.720  0.968  0.957  1.0
  Sn  Sn25  1  0.220  0.532  0.543  1.0
  Sn  Sn26  1  0.280  0.032  0.457  1.0
  Sn  Sn27  1  0.780  0.468  0.043  1.0
  Sn  Sn28  1  0.578  0.621  0.750  1.0
  Sn  Sn29  1  0.078  0.879  0.750  1.0
  Sn  Sn30  1  0.422  0.379  0.250  1.0
  Sn  Sn31  1  0.922  0.121  0.250  1.0
  Sn  Sn32  1  0.341  0.144  0.750  1.0
  Sn  Sn33  1  0.841  0.356  0.750  1.0
  Sn  Sn34  1  0.659  0.856  0.250  1.0
  Sn  Sn35  1  0.159  0.644  0.250  1.0
[/CIF]
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