The material described by Pt4Tb5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to one Pt(3), two equivalent Pt(2), and three equivalent Pt(1) atoms. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to one Pt(2), two equivalent Pt(3), and four equivalent Pt(1) atoms. In the third Tb site, Tb(3) is bonded to two equivalent Pt(1), two equivalent Pt(2), and two equivalent Pt(3) atoms to form distorted corner-sharing TbPt6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are three inequivalent Pt sites. In the first Pt site, Pt(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(3), four equivalent Tb(2), and one Pt(2) atom. In the second Pt site, Pt(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 Pt site, Pt(2) is bonded in a 9-coordinate geometry to two equivalent Tb(2), two equivalent Tb(3), four equivalent Tb(1), and one Pt(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb5Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.510
_cell_length_b   7.583
_cell_length_c   14.606
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   831.767
_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  0.653  0.168  0.622  1.0
  Tb  Tb1  1  0.153  0.332  0.878  1.0
  Tb  Tb2  1  0.347  0.832  0.122  1.0
  Tb  Tb3  1  0.847  0.668  0.378  1.0
  Tb  Tb4  1  0.347  0.832  0.378  1.0
  Tb  Tb5  1  0.847  0.668  0.122  1.0
  Tb  Tb6  1  0.653  0.168  0.878  1.0
  Tb  Tb7  1  0.153  0.332  0.622  1.0
  Tb  Tb8  1  0.500  0.680  0.594  1.0
  Tb  Tb9  1  1.000  0.820  0.906  1.0
  Tb  Tb10  1  0.500  0.320  0.094  1.0
  Tb  Tb11  1  0.000  0.180  0.406  1.0
  Tb  Tb12  1  0.500  0.320  0.406  1.0
  Tb  Tb13  1  0.000  0.180  0.094  1.0
  Tb  Tb14  1  0.500  0.680  0.906  1.0
  Tb  Tb15  1  1.000  0.820  0.594  1.0
  Tb  Tb16  1  0.815  0.513  0.750  1.0
  Tb  Tb17  1  0.315  0.987  0.750  1.0
  Tb  Tb18  1  0.185  0.487  0.250  1.0
  Tb  Tb19  1  0.685  0.013  0.250  1.0
  Pt  Pt20  1  0.686  0.968  0.458  1.0
  Pt  Pt21  1  0.186  0.532  0.042  1.0
  Pt  Pt22  1  0.314  0.032  0.958  1.0
  Pt  Pt23  1  0.814  0.468  0.542  1.0
  Pt  Pt24  1  0.314  0.032  0.542  1.0
  Pt  Pt25  1  0.814  0.468  0.958  1.0
  Pt  Pt26  1  0.686  0.968  0.042  1.0
  Pt  Pt27  1  0.186  0.532  0.458  1.0
  Pt  Pt28  1  0.449  0.387  0.750  1.0
  Pt  Pt29  1  0.949  0.113  0.750  1.0
  Pt  Pt30  1  0.551  0.613  0.250  1.0
  Pt  Pt31  1  0.051  0.887  0.250  1.0
  Pt  Pt32  1  0.682  0.860  0.750  1.0
  Pt  Pt33  1  0.182  0.640  0.750  1.0
  Pt  Pt34  1  0.318  0.140  0.250  1.0
  Pt  Pt35  1  0.818  0.360  0.250  1.0
[/CIF]
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The material described by Pt4Tb5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 6-coordinate geometry to one Pt(3), two equivalent Pt(2), and three equivalent Pt(1) atoms. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to one Pt(2), two equivalent Pt(3), and four equivalent Pt(1) atoms. In the third Tb site, Tb(3) is bonded to two equivalent Pt(1), two equivalent Pt(2), and two equivalent Pt(3) atoms to form distorted corner-sharing TbPt6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are three inequivalent Pt sites. In the first Pt site, Pt(3) is bonded in a 9-coordinate geometry to two equivalent Tb(1), two equivalent Tb(3), four equivalent Tb(2), and one Pt(2) atom. In the second Pt site, Pt(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 Pt site, Pt(2) is bonded in a 9-coordinate geometry to two equivalent Tb(2), two equivalent Tb(3), four equivalent Tb(1), and one Pt(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb5Pt4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.510
_cell_length_b   7.583
_cell_length_c   14.606
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   831.767
_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  0.653  0.168  0.622  1.0
  Tb  Tb1  1  0.153  0.332  0.878  1.0
  Tb  Tb2  1  0.347  0.832  0.122  1.0
  Tb  Tb3  1  0.847  0.668  0.378  1.0
  Tb  Tb4  1  0.347  0.832  0.378  1.0
  Tb  Tb5  1  0.847  0.668  0.122  1.0
  Tb  Tb6  1  0.653  0.168  0.878  1.0
  Tb  Tb7  1  0.153  0.332  0.622  1.0
  Tb  Tb8  1  0.500  0.680  0.594  1.0
  Tb  Tb9  1  1.000  0.820  0.906  1.0
  Tb  Tb10  1  0.500  0.320  0.094  1.0
  Tb  Tb11  1  0.000  0.180  0.406  1.0
  Tb  Tb12  1  0.500  0.320  0.406  1.0
  Tb  Tb13  1  0.000  0.180  0.094  1.0
  Tb  Tb14  1  0.500  0.680  0.906  1.0
  Tb  Tb15  1  1.000  0.820  0.594  1.0
  Tb  Tb16  1  0.815  0.513  0.750  1.0
  Tb  Tb17  1  0.315  0.987  0.750  1.0
  Tb  Tb18  1  0.185  0.487  0.250  1.0
  Tb  Tb19  1  0.685  0.013  0.250  1.0
  Pt  Pt20  1  0.686  0.968  0.458  1.0
  Pt  Pt21  1  0.186  0.532  0.042  1.0
  Pt  Pt22  1  0.314  0.032  0.958  1.0
  Pt  Pt23  1  0.814  0.468  0.542  1.0
  Pt  Pt24  1  0.314  0.032  0.542  1.0
  Pt  Pt25  1  0.814  0.468  0.958  1.0
  Pt  Pt26  1  0.686  0.968  0.042  1.0
  Pt  Pt27  1  0.186  0.532  0.458  1.0
  Pt  Pt28  1  0.449  0.387  0.750  1.0
  Pt  Pt29  1  0.949  0.113  0.750  1.0
  Pt  Pt30  1  0.551  0.613  0.250  1.0
  Pt  Pt31  1  0.051  0.887  0.250  1.0
  Pt  Pt32  1  0.682  0.860  0.750  1.0
  Pt  Pt33  1  0.182  0.640  0.750  1.0
  Pt  Pt34  1  0.318  0.140  0.250  1.0
  Pt  Pt35  1  0.818  0.360  0.250  1.0
[/CIF]
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