The material described by Tb3Co6Sn5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Co(2) and eight equivalent Sn(1) atoms to form distorted TbCo4Sn8 cuboctahedra that share edges with two equivalent Sn(2)Tb4Co8 cuboctahedra and faces with two equivalent Tb(1)Co4Sn8 cuboctahedra. In the second Tb site, Tb(2) is bonded in a 14-coordinate geometry to two equivalent Co(1), four equivalent Co(2), two equivalent Sn(2), and six equivalent Sn(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to two equivalent Tb(2), four equivalent Co(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to one Tb(1), two equivalent Tb(2), one Co(2), two equivalent Co(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Tb(1), three equivalent Tb(2), one Co(1), three equivalent Co(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded to four equivalent Tb(2), four equivalent Co(1), and four equivalent Co(2) atoms to form SnTb4Co8 cuboctahedra that share edges with two equivalent Tb(1)Co4Sn8 cuboctahedra and faces with two equivalent Sn(2)Tb4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_Tb3Co6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.317
_cell_length_b   8.113
_cell_length_c   8.113
_cell_angle_alpha   72.820
_cell_angle_beta   74.571
_cell_angle_gamma   74.571
_symmetry_Int_Tables_number   1
_cell_volume   256.155
_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  0.000  0.000  0.000  1.0
  Tb  Tb1  1  0.683  0.317  0.317  1.0
  Tb  Tb2  1  0.317  0.683  0.683  1.0
  Co  Co3  1  0.500  0.303  0.697  1.0
  Co  Co4  1  0.500  0.697  0.303  1.0
  Co  Co5  1  0.893  0.834  0.381  1.0
  Co  Co6  1  0.107  0.166  0.619  1.0
  Co  Co7  1  0.893  0.381  0.834  1.0
  Co  Co8  1  0.107  0.619  0.166  1.0
  Sn  Sn9  1  0.677  0.983  0.664  1.0
  Sn  Sn10  1  0.323  0.017  0.336  1.0
  Sn  Sn11  1  0.677  0.664  0.983  1.0
  Sn  Sn12  1  0.323  0.336  0.017  1.0
  Sn  Sn13  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by Tb3Co6Sn5 crystallizes in the orthorhombic Immm space group. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to four equivalent Co(2) and eight equivalent Sn(1) atoms to form distorted TbCo4Sn8 cuboctahedra that share edges with two equivalent Sn(2)Tb4Co8 cuboctahedra and faces with two equivalent Tb(1)Co4Sn8 cuboctahedra. In the second Tb site, Tb(2) is bonded in a 14-coordinate geometry to two equivalent Co(1), four equivalent Co(2), two equivalent Sn(2), and six equivalent Sn(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 10-coordinate geometry to two equivalent Tb(2), four equivalent Co(2), two equivalent Sn(1), and two equivalent Sn(2) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to one Tb(1), two equivalent Tb(2), one Co(2), two equivalent Co(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to two equivalent Tb(1), three equivalent Tb(2), one Co(1), three equivalent Co(2), and one Sn(1) atom. In the second Sn site, Sn(2) is bonded to four equivalent Tb(2), four equivalent Co(1), and four equivalent Co(2) atoms to form SnTb4Co8 cuboctahedra that share edges with two equivalent Tb(1)Co4Sn8 cuboctahedra and faces with two equivalent Sn(2)Tb4Co8 cuboctahedra. is represented by the CIF file [CIF]
data_Tb3Co6Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.317
_cell_length_b   8.113
_cell_length_c   8.113
_cell_angle_alpha   72.820
_cell_angle_beta   74.571
_cell_angle_gamma   74.571
_symmetry_Int_Tables_number   1
_cell_volume   256.155
_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  0.000  0.000  0.000  1.0
  Tb  Tb1  1  0.683  0.317  0.317  1.0
  Tb  Tb2  1  0.317  0.683  0.683  1.0
  Co  Co3  1  0.500  0.303  0.697  1.0
  Co  Co4  1  0.500  0.697  0.303  1.0
  Co  Co5  1  0.893  0.834  0.381  1.0
  Co  Co6  1  0.107  0.166  0.619  1.0
  Co  Co7  1  0.893  0.381  0.834  1.0
  Co  Co8  1  0.107  0.619  0.166  1.0
  Sn  Sn9  1  0.677  0.983  0.664  1.0
  Sn  Sn10  1  0.323  0.017  0.336  1.0
  Sn  Sn11  1  0.677  0.664  0.983  1.0
  Sn  Sn12  1  0.323  0.336  0.017  1.0
  Sn  Sn13  1  0.000  0.500  0.500  1.0
[/CIF]
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