The material described by Tm8CoIn3 crystallizes in the hexagonal P6_3mc space group. There are four inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 3-coordinate geometry to one Co(1) and four equivalent In(1) atoms. In the second Tm site, Tm(2) is bonded in a 4-coordinate geometry to one Co(1) and four equivalent In(1) atoms. In the third Tm site, Tm(3) is bonded to one Co(1) and three equivalent In(1) atoms to form distorted corner-sharing TmIn3Co tetrahedra. The corner-sharing octahedral tilt angles range from 14-48°. In the fourth Tm site, Tm(4) is bonded to six equivalent In(1) atoms to form distorted TmIn6 octahedra that share corners with six equivalent Tm(3)In3Co tetrahedra and faces with two equivalent Tm(4)In6 octahedra. Co(1) is bonded in a 7-coordinate geometry to one Tm(3), three equivalent Tm(1), and three equivalent Tm(2) atoms. In(1) is bonded in a 11-coordinate geometry to one Tm(3), two equivalent Tm(4), four equivalent Tm(1), and four equivalent Tm(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm8In3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.146
_cell_length_b   10.146
_cell_length_c   6.912
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   616.117
_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
  Tm  Tm0  1  0.536  0.072  0.513  1.0
  Tm  Tm1  1  0.928  0.464  0.513  1.0
  Tm  Tm2  1  0.536  0.464  0.513  1.0
  Tm  Tm3  1  0.464  0.928  0.013  1.0
  Tm  Tm4  1  0.072  0.536  0.013  1.0
  Tm  Tm5  1  0.464  0.536  0.013  1.0
  Tm  Tm6  1  0.179  0.357  0.720  1.0
  Tm  Tm7  1  0.643  0.821  0.720  1.0
  Tm  Tm8  1  0.179  0.821  0.720  1.0
  Tm  Tm9  1  0.821  0.643  0.220  1.0
  Tm  Tm10  1  0.357  0.179  0.220  1.0
  Tm  Tm11  1  0.821  0.179  0.220  1.0
  Tm  Tm12  1  0.667  0.333  0.904  1.0
  Tm  Tm13  1  0.333  0.667  0.404  1.0
  Tm  Tm14  1  1.000  1.000  0.501  1.0
  Tm  Tm15  1  1.000  1.000  0.001  1.0
  In  In16  1  0.837  0.674  0.762  1.0
  In  In17  1  0.326  0.163  0.762  1.0
  In  In18  1  0.837  0.163  0.762  1.0
  In  In19  1  0.163  0.326  0.262  1.0
  In  In20  1  0.674  0.837  0.262  1.0
  In  In21  1  0.163  0.837  0.262  1.0
  Co  Co22  1  0.667  0.333  0.289  1.0
  Co  Co23  1  0.333  0.667  0.789  1.0
[/CIF]
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The material described by Tm8CoIn3 crystallizes in the hexagonal P6_3mc space group. There are four inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 3-coordinate geometry to one Co(1) and four equivalent In(1) atoms. In the second Tm site, Tm(2) is bonded in a 4-coordinate geometry to one Co(1) and four equivalent In(1) atoms. In the third Tm site, Tm(3) is bonded to one Co(1) and three equivalent In(1) atoms to form distorted corner-sharing TmIn3Co tetrahedra. The corner-sharing octahedral tilt angles range from 14-48°. In the fourth Tm site, Tm(4) is bonded to six equivalent In(1) atoms to form distorted TmIn6 octahedra that share corners with six equivalent Tm(3)In3Co tetrahedra and faces with two equivalent Tm(4)In6 octahedra. Co(1) is bonded in a 7-coordinate geometry to one Tm(3), three equivalent Tm(1), and three equivalent Tm(2) atoms. In(1) is bonded in a 11-coordinate geometry to one Tm(3), two equivalent Tm(4), four equivalent Tm(1), and four equivalent Tm(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm8In3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.146
_cell_length_b   10.146
_cell_length_c   6.912
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   616.117
_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
  Tm  Tm0  1  0.536  0.072  0.513  1.0
  Tm  Tm1  1  0.928  0.464  0.513  1.0
  Tm  Tm2  1  0.536  0.464  0.513  1.0
  Tm  Tm3  1  0.464  0.928  0.013  1.0
  Tm  Tm4  1  0.072  0.536  0.013  1.0
  Tm  Tm5  1  0.464  0.536  0.013  1.0
  Tm  Tm6  1  0.179  0.357  0.720  1.0
  Tm  Tm7  1  0.643  0.821  0.720  1.0
  Tm  Tm8  1  0.179  0.821  0.720  1.0
  Tm  Tm9  1  0.821  0.643  0.220  1.0
  Tm  Tm10  1  0.357  0.179  0.220  1.0
  Tm  Tm11  1  0.821  0.179  0.220  1.0
  Tm  Tm12  1  0.667  0.333  0.904  1.0
  Tm  Tm13  1  0.333  0.667  0.404  1.0
  Tm  Tm14  1  1.000  1.000  0.501  1.0
  Tm  Tm15  1  1.000  1.000  0.001  1.0
  In  In16  1  0.837  0.674  0.762  1.0
  In  In17  1  0.326  0.163  0.762  1.0
  In  In18  1  0.837  0.163  0.762  1.0
  In  In19  1  0.163  0.326  0.262  1.0
  In  In20  1  0.674  0.837  0.262  1.0
  In  In21  1  0.163  0.837  0.262  1.0
  Co  Co22  1  0.667  0.333  0.289  1.0
  Co  Co23  1  0.333  0.667  0.789  1.0
[/CIF]
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