The material described by TmRu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Tm(1) is bonded to four equivalent Ru(2) and eight equivalent Ru(1) atoms to form a mixture of edge, corner, and face-sharing TmRu12 cuboctahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four equivalent Tm(1) atoms to form a mixture of distorted edge and corner-sharing RuTm4 cuboctahedra. In the second Ru site, Ru(2) is bonded in a distorted square co-planar geometry to four equivalent Tm(1) atoms. is represented by the CIF card [CIF]
data_TmRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.963
_cell_length_b   4.963
_cell_length_c   4.963
_cell_angle_alpha   132.671
_cell_angle_beta   132.671
_cell_angle_gamma   69.171
_symmetry_Int_Tables_number   1
_cell_volume   64.846
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Ru  Ru1  1  0.750  0.250  0.500  1.0
  Ru  Ru2  1  0.250  0.750  0.500  1.0
  Ru  Ru3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material described by TmRu3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Tm(1) is bonded to four equivalent Ru(2) and eight equivalent Ru(1) atoms to form a mixture of edge, corner, and face-sharing TmRu12 cuboctahedra. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to four equivalent Tm(1) atoms to form a mixture of distorted edge and corner-sharing RuTm4 cuboctahedra. In the second Ru site, Ru(2) is bonded in a distorted square co-planar geometry to four equivalent Tm(1) atoms. is represented by the CIF card [CIF]
data_TmRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.963
_cell_length_b   4.963
_cell_length_c   4.963
_cell_angle_alpha   132.671
_cell_angle_beta   132.671
_cell_angle_gamma   69.171
_symmetry_Int_Tables_number   1
_cell_volume   64.846
_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
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Ru  Ru1  1  0.750  0.250  0.500  1.0
  Ru  Ru2  1  0.250  0.750  0.500  1.0
  Ru  Ru3  1  0.500  0.500  0.000  1.0
[/CIF]
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