The material structure described by Tb6CoBr10 crystallizes in the triclinic P-1 space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one Co(1), one Br(1), one Br(4), one Br(5), and two equivalent Br(2) atoms to form a mixture of edge and corner-sharing TbCoBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Tb site, Tb(2) is bonded to one Co(1), one Br(1), one Br(2), one Br(5), and two equivalent Br(3) atoms to form a mixture of edge and corner-sharing TbCoBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third Tb site, Tb(3) is bonded to one Co(1), one Br(3), one Br(4), one Br(5), and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing TbCoBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Co(1) is bonded in an octahedral geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a see-saw-like geometry to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms. In the second Br site, Br(2) is bonded in a T-shaped geometry to one Tb(2) and two equivalent Tb(1) atoms. In the third Br site, Br(3) is bonded in a T-shaped geometry to one Tb(3) and two equivalent Tb(2) atoms. In the fourth Br site, Br(4) is bonded in an L-shaped geometry to one Tb(1) and one Tb(3) atom. In the fifth Br site, Br(5) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Tb(3) atom. is represented by the CIF card [CIF]
data_Tb6CoBr10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.300
_cell_length_b   8.977
_cell_length_c   9.159
_cell_angle_alpha   108.239
_cell_angle_beta   97.195
_cell_angle_gamma   105.383
_symmetry_Int_Tables_number   1
_cell_volume   535.230
_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  0.030  0.715  0.413  1.0
  Tb  Tb1  1  0.970  0.285  0.587  1.0
  Tb  Tb2  1  0.877  0.953  0.746  1.0
  Tb  Tb3  1  0.123  0.047  0.254  1.0
  Tb  Tb4  1  0.360  0.136  0.679  1.0
  Tb  Tb5  1  0.640  0.864  0.321  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
  Br  Br7  1  0.451  0.817  0.585  1.0
  Br  Br8  1  0.549  0.183  0.415  1.0
  Br  Br9  1  0.913  0.627  0.675  1.0
  Br  Br10  1  0.087  0.373  0.325  1.0
  Br  Br11  1  0.257  0.087  0.961  1.0
  Br  Br12  1  0.743  0.913  0.039  1.0
  Br  Br13  1  0.354  0.460  0.774  1.0
  Br  Br14  1  0.646  0.540  0.226  1.0
  Br  Br15  1  0.790  0.261  0.851  1.0
  Br  Br16  1  0.210  0.739  0.149  1.0
[/CIF]
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The material structure described by Tb6CoBr10 crystallizes in the triclinic P-1 space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one Co(1), one Br(1), one Br(4), one Br(5), and two equivalent Br(2) atoms to form a mixture of edge and corner-sharing TbCoBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Tb site, Tb(2) is bonded to one Co(1), one Br(1), one Br(2), one Br(5), and two equivalent Br(3) atoms to form a mixture of edge and corner-sharing TbCoBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third Tb site, Tb(3) is bonded to one Co(1), one Br(3), one Br(4), one Br(5), and two equivalent Br(1) atoms to form a mixture of edge and corner-sharing TbCoBr5 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Co(1) is bonded in an octahedral geometry to two equivalent Tb(1), two equivalent Tb(2), and two equivalent Tb(3) atoms. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a see-saw-like geometry to one Tb(1), one Tb(2), and two equivalent Tb(3) atoms. In the second Br site, Br(2) is bonded in a T-shaped geometry to one Tb(2) and two equivalent Tb(1) atoms. In the third Br site, Br(3) is bonded in a T-shaped geometry to one Tb(3) and two equivalent Tb(2) atoms. In the fourth Br site, Br(4) is bonded in an L-shaped geometry to one Tb(1) and one Tb(3) atom. In the fifth Br site, Br(5) is bonded in a 3-coordinate geometry to one Tb(1), one Tb(2), and one Tb(3) atom. is represented by the CIF card [CIF]
data_Tb6CoBr10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.300
_cell_length_b   8.977
_cell_length_c   9.159
_cell_angle_alpha   108.239
_cell_angle_beta   97.195
_cell_angle_gamma   105.383
_symmetry_Int_Tables_number   1
_cell_volume   535.230
_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  0.030  0.715  0.413  1.0
  Tb  Tb1  1  0.970  0.285  0.587  1.0
  Tb  Tb2  1  0.877  0.953  0.746  1.0
  Tb  Tb3  1  0.123  0.047  0.254  1.0
  Tb  Tb4  1  0.360  0.136  0.679  1.0
  Tb  Tb5  1  0.640  0.864  0.321  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
  Br  Br7  1  0.451  0.817  0.585  1.0
  Br  Br8  1  0.549  0.183  0.415  1.0
  Br  Br9  1  0.913  0.627  0.675  1.0
  Br  Br10  1  0.087  0.373  0.325  1.0
  Br  Br11  1  0.257  0.087  0.961  1.0
  Br  Br12  1  0.743  0.913  0.039  1.0
  Br  Br13  1  0.354  0.460  0.774  1.0
  Br  Br14  1  0.646  0.540  0.226  1.0
  Br  Br15  1  0.790  0.261  0.851  1.0
  Br  Br16  1  0.210  0.739  0.149  1.0
[/CIF]
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