The material described by Tb3In5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to one In(1), four equivalent In(2), and four equivalent In(3) atoms. In the second Tb site, Tb(2) is bonded in a 10-coordinate geometry to two equivalent In(1), four equivalent In(2), and four equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to one Tb(1), four equivalent Tb(2), two equivalent In(2), and four equivalent In(3) atoms. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Tb(1), four equivalent Tb(2), one In(1), one In(2), and two equivalent In(3) atoms. In the third In site, In(3) is bonded in a 10-coordinate geometry to two equivalent Tb(1), four equivalent Tb(2), two equivalent In(1), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.379
_cell_length_b   6.379
_cell_length_c   10.351
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   101.483
_symmetry_Int_Tables_number   1
_cell_volume   412.834
_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  0.625  0.625  0.250  1.0
  Tb  Tb1  1  0.375  0.375  0.750  1.0
  Tb  Tb2  1  0.797  0.203  0.500  1.0
  Tb  Tb3  1  0.797  0.203  1.000  1.0
  Tb  Tb4  1  0.203  0.797  0.500  1.0
  Tb  Tb5  1  0.203  0.797  1.000  1.0
  In  In6  1  0.009  0.009  0.250  1.0
  In  In7  1  0.991  0.991  0.750  1.0
  In  In8  1  0.309  0.309  0.046  1.0
  In  In9  1  0.691  0.691  0.954  1.0
  In  In10  1  0.309  0.309  0.454  1.0
  In  In11  1  0.691  0.691  0.546  1.0
  In  In12  1  0.076  0.508  0.250  1.0
  In  In13  1  0.492  0.924  0.750  1.0
  In  In14  1  0.924  0.492  0.750  1.0
  In  In15  1  0.508  0.076  0.250  1.0
[/CIF]
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The material described by Tb3In5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 9-coordinate geometry to one In(1), four equivalent In(2), and four equivalent In(3) atoms. In the second Tb site, Tb(2) is bonded in a 10-coordinate geometry to two equivalent In(1), four equivalent In(2), and four equivalent In(3) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to one Tb(1), four equivalent Tb(2), two equivalent In(2), and four equivalent In(3) atoms. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Tb(1), four equivalent Tb(2), one In(1), one In(2), and two equivalent In(3) atoms. In the third In site, In(3) is bonded in a 10-coordinate geometry to two equivalent Tb(1), four equivalent Tb(2), two equivalent In(1), and two equivalent In(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tb3In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.379
_cell_length_b   6.379
_cell_length_c   10.351
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   101.483
_symmetry_Int_Tables_number   1
_cell_volume   412.834
_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  0.625  0.625  0.250  1.0
  Tb  Tb1  1  0.375  0.375  0.750  1.0
  Tb  Tb2  1  0.797  0.203  0.500  1.0
  Tb  Tb3  1  0.797  0.203  1.000  1.0
  Tb  Tb4  1  0.203  0.797  0.500  1.0
  Tb  Tb5  1  0.203  0.797  1.000  1.0
  In  In6  1  0.009  0.009  0.250  1.0
  In  In7  1  0.991  0.991  0.750  1.0
  In  In8  1  0.309  0.309  0.046  1.0
  In  In9  1  0.691  0.691  0.954  1.0
  In  In10  1  0.309  0.309  0.454  1.0
  In  In11  1  0.691  0.691  0.546  1.0
  In  In12  1  0.076  0.508  0.250  1.0
  In  In13  1  0.492  0.924  0.750  1.0
  In  In14  1  0.924  0.492  0.750  1.0
  In  In15  1  0.508  0.076  0.250  1.0
[/CIF]
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