The material structure described by TmCo2B2C crystallizes in the tetragonal I4/mmm space group. Tm(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. Co(1) is bonded to four equivalent B(1) atoms to form CoB4 tetrahedra that share corners with four equivalent C(1)Tm4B2 octahedra, corners with four equivalent Co(1)B4 tetrahedra, and edges with four equivalent Co(1)B4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. B(1) is bonded in a distorted single-bond geometry to four equivalent Co(1) and one C(1) atom. C(1) is bonded to four equivalent Tm(1) and two equivalent B(1) atoms to form distorted CTm4B2 octahedra that share corners with four equivalent C(1)Tm4B2 octahedra, corners with eight equivalent Co(1)B4 tetrahedra, and edges with four equivalent C(1)Tm4B2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TmCo2B2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.483
_cell_length_b   3.483
_cell_length_c   5.754
_cell_angle_alpha   107.619
_cell_angle_beta   107.619
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   63.102
_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
  Co  Co1  1  0.750  0.250  0.500  1.0
  Co  Co2  1  0.250  0.750  0.500  1.0
  B  B3  1  0.644  0.644  0.288  1.0
  B  B4  1  0.356  0.356  0.712  1.0
  C  C5  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by TmCo2B2C crystallizes in the tetragonal I4/mmm space group. Tm(1) is bonded in a square co-planar geometry to four equivalent C(1) atoms. Co(1) is bonded to four equivalent B(1) atoms to form CoB4 tetrahedra that share corners with four equivalent C(1)Tm4B2 octahedra, corners with four equivalent Co(1)B4 tetrahedra, and edges with four equivalent Co(1)B4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. B(1) is bonded in a distorted single-bond geometry to four equivalent Co(1) and one C(1) atom. C(1) is bonded to four equivalent Tm(1) and two equivalent B(1) atoms to form distorted CTm4B2 octahedra that share corners with four equivalent C(1)Tm4B2 octahedra, corners with eight equivalent Co(1)B4 tetrahedra, and edges with four equivalent C(1)Tm4B2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TmCo2B2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.483
_cell_length_b   3.483
_cell_length_c   5.754
_cell_angle_alpha   107.619
_cell_angle_beta   107.619
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   63.102
_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
  Co  Co1  1  0.750  0.250  0.500  1.0
  Co  Co2  1  0.250  0.750  0.500  1.0
  B  B3  1  0.644  0.644  0.288  1.0
  B  B4  1  0.356  0.356  0.712  1.0
  C  C5  1  0.500  0.500  0.000  1.0
[/CIF]
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