The material described by TaFeSi crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded in a 11-coordinate geometry to six equivalent Fe(1) and five equivalent Si(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to six equivalent Ta(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Ta(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_TaFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.175
_cell_length_b   3.738
_cell_length_c   6.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   161.210
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.016  0.250  0.313  1.0
  Ta  Ta1  1  0.516  0.250  0.187  1.0
  Ta  Ta2  1  0.984  0.750  0.687  1.0
  Ta  Ta3  1  0.484  0.750  0.813  1.0
  Fe  Fe4  1  0.149  0.250  0.935  1.0
  Fe  Fe5  1  0.649  0.250  0.565  1.0
  Fe  Fe6  1  0.851  0.750  0.065  1.0
  Fe  Fe7  1  0.351  0.750  0.435  1.0
  Si  Si8  1  0.278  0.250  0.615  1.0
  Si  Si9  1  0.778  0.250  0.885  1.0
  Si  Si10  1  0.722  0.750  0.385  1.0
  Si  Si11  1  0.222  0.750  0.115  1.0
[/CIF]
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The material described by TaFeSi crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded in a 11-coordinate geometry to six equivalent Fe(1) and five equivalent Si(1) atoms. Fe(1) is bonded in a 10-coordinate geometry to six equivalent Ta(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Ta(1) and four equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_TaFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.175
_cell_length_b   3.738
_cell_length_c   6.983
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   161.210
_cell_formula_units_Z   4
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
  Ta  Ta0  1  0.016  0.250  0.313  1.0
  Ta  Ta1  1  0.516  0.250  0.187  1.0
  Ta  Ta2  1  0.984  0.750  0.687  1.0
  Ta  Ta3  1  0.484  0.750  0.813  1.0
  Fe  Fe4  1  0.149  0.250  0.935  1.0
  Fe  Fe5  1  0.649  0.250  0.565  1.0
  Fe  Fe6  1  0.851  0.750  0.065  1.0
  Fe  Fe7  1  0.351  0.750  0.435  1.0
  Si  Si8  1  0.278  0.250  0.615  1.0
  Si  Si9  1  0.778  0.250  0.885  1.0
  Si  Si10  1  0.722  0.750  0.385  1.0
  Si  Si11  1  0.222  0.750  0.115  1.0
[/CIF]
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