The material structure described by Ti10FeSb5 crystallizes in the tetragonal I422 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one Fe(1), one Sb(2), and four equivalent Sb(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(2) and four equivalent Sb(1) atoms. Fe(1) is bonded in a distorted q6 geometry to eight equivalent Ti(1) and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to two equivalent Ti(2) and eight equivalent Ti(1) atoms. In the second Sb site, Sb(2) is bonded in a distorted q6 geometry to eight equivalent Ti(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Ti10FeSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.222
_cell_length_b   7.872
_cell_length_c   7.872
_cell_angle_alpha   96.316
_cell_angle_beta   109.370
_cell_angle_gamma   70.630
_symmetry_Int_Tables_number   1
_cell_volume   287.968
_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
  Ti  Ti0  1  0.436  0.858  0.709  1.0
  Ti  Ti1  1  0.586  0.142  0.291  1.0
  Ti  Ti2  1  0.914  0.291  0.142  1.0
  Ti  Ti3  1  0.064  0.709  0.858  1.0
  Ti  Ti4  1  0.727  0.709  0.142  1.0
  Ti  Ti5  1  0.294  0.291  0.858  1.0
  Ti  Ti6  1  0.773  0.142  0.709  1.0
  Ti  Ti7  1  0.206  0.858  0.291  1.0
  Ti  Ti8  1  0.250  0.500  0.500  1.0
  Ti  Ti9  1  0.750  0.500  0.500  1.0
  Fe  Fe10  1  0.750  0.000  0.000  1.0
  Sb  Sb11  1  0.336  0.500  0.172  1.0
  Sb  Sb12  1  0.664  0.500  0.828  1.0
  Sb  Sb13  1  0.836  0.828  0.500  1.0
  Sb  Sb14  1  0.164  0.172  0.500  1.0
  Sb  Sb15  1  0.250  0.000  0.000  1.0
[/CIF]
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The material structure described by Ti10FeSb5 crystallizes in the tetragonal I422 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to one Fe(1), one Sb(2), and four equivalent Sb(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to two equivalent Ti(2) and four equivalent Sb(1) atoms. Fe(1) is bonded in a distorted q6 geometry to eight equivalent Ti(1) and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to two equivalent Ti(2) and eight equivalent Ti(1) atoms. In the second Sb site, Sb(2) is bonded in a distorted q6 geometry to eight equivalent Ti(1) and two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Ti10FeSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.222
_cell_length_b   7.872
_cell_length_c   7.872
_cell_angle_alpha   96.316
_cell_angle_beta   109.370
_cell_angle_gamma   70.630
_symmetry_Int_Tables_number   1
_cell_volume   287.968
_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
  Ti  Ti0  1  0.436  0.858  0.709  1.0
  Ti  Ti1  1  0.586  0.142  0.291  1.0
  Ti  Ti2  1  0.914  0.291  0.142  1.0
  Ti  Ti3  1  0.064  0.709  0.858  1.0
  Ti  Ti4  1  0.727  0.709  0.142  1.0
  Ti  Ti5  1  0.294  0.291  0.858  1.0
  Ti  Ti6  1  0.773  0.142  0.709  1.0
  Ti  Ti7  1  0.206  0.858  0.291  1.0
  Ti  Ti8  1  0.250  0.500  0.500  1.0
  Ti  Ti9  1  0.750  0.500  0.500  1.0
  Fe  Fe10  1  0.750  0.000  0.000  1.0
  Sb  Sb11  1  0.336  0.500  0.172  1.0
  Sb  Sb12  1  0.664  0.500  0.828  1.0
  Sb  Sb13  1  0.836  0.828  0.500  1.0
  Sb  Sb14  1  0.164  0.172  0.500  1.0
  Sb  Sb15  1  0.250  0.000  0.000  1.0
[/CIF]
.