The structure described by Ti10CrSb5 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 two equivalent Ti(1) and four equivalent Sb(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one Cr(1), one Sb(2), and four equivalent Sb(1) atoms. Cr(1) is bonded in a distorted q6 geometry to eight equivalent Ti(2) 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(1) and eight equivalent Ti(2) atoms. In the second Sb site, Sb(2) is bonded in a distorted q6 geometry to eight equivalent Ti(2) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Ti10CrSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.858
_cell_length_b   7.858
_cell_length_c   7.859
_cell_angle_alpha   96.420
_cell_angle_beta   96.419
_cell_angle_gamma   140.934
_symmetry_Int_Tables_number   1
_cell_volume   288.238
_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  0.500  0.000  0.500  1.0
  Ti  Ti1  1  1.000  0.500  0.500  1.0
  Ti  Ti2  1  0.481  0.340  0.291  1.0
  Ti  Ti3  1  0.049  0.190  0.709  1.0
  Ti  Ti4  1  0.519  0.810  0.859  1.0
  Ti  Ti5  1  0.950  0.660  0.141  1.0
  Ti  Ti6  1  0.340  0.050  0.859  1.0
  Ti  Ti7  1  0.190  0.481  0.141  1.0
  Ti  Ti8  1  0.810  0.951  0.291  1.0
  Ti  Ti9  1  0.660  0.519  0.709  1.0
  Cr  Cr10  1  0.500  0.500  0.000  1.0
  Sb  Sb11  1  0.913  0.413  0.826  1.0
  Sb  Sb12  1  0.587  0.087  0.174  1.0
  Sb  Sb13  1  0.087  0.913  0.500  1.0
  Sb  Sb14  1  0.413  0.587  0.500  1.0
  Sb  Sb15  1  0.000  1.000  0.000  1.0
[/CIF]
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The structure described by Ti10CrSb5 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 two equivalent Ti(1) and four equivalent Sb(1) atoms. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one Cr(1), one Sb(2), and four equivalent Sb(1) atoms. Cr(1) is bonded in a distorted q6 geometry to eight equivalent Ti(2) 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(1) and eight equivalent Ti(2) atoms. In the second Sb site, Sb(2) is bonded in a distorted q6 geometry to eight equivalent Ti(2) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Ti10CrSb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.858
_cell_length_b   7.858
_cell_length_c   7.859
_cell_angle_alpha   96.420
_cell_angle_beta   96.419
_cell_angle_gamma   140.934
_symmetry_Int_Tables_number   1
_cell_volume   288.238
_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  0.500  0.000  0.500  1.0
  Ti  Ti1  1  1.000  0.500  0.500  1.0
  Ti  Ti2  1  0.481  0.340  0.291  1.0
  Ti  Ti3  1  0.049  0.190  0.709  1.0
  Ti  Ti4  1  0.519  0.810  0.859  1.0
  Ti  Ti5  1  0.950  0.660  0.141  1.0
  Ti  Ti6  1  0.340  0.050  0.859  1.0
  Ti  Ti7  1  0.190  0.481  0.141  1.0
  Ti  Ti8  1  0.810  0.951  0.291  1.0
  Ti  Ti9  1  0.660  0.519  0.709  1.0
  Cr  Cr10  1  0.500  0.500  0.000  1.0
  Sb  Sb11  1  0.913  0.413  0.826  1.0
  Sb  Sb12  1  0.587  0.087  0.174  1.0
  Sb  Sb13  1  0.087  0.913  0.500  1.0
  Sb  Sb14  1  0.413  0.587  0.500  1.0
  Sb  Sb15  1  0.000  1.000  0.000  1.0
[/CIF]
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