The structure described by TaReSi crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 11-coordinate geometry to two equivalent Re(1), four equivalent Re(2), one Si(1), and four equivalent Si(2) atoms. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to two equivalent Re(1), four equivalent Re(2), one Si(1), and four equivalent Si(2) atoms. In the third Ta site, Ta(3) is bonded in a 11-coordinate geometry to two equivalent Re(1), four equivalent Re(2), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 10-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), two equivalent Re(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Re site, Re(2) is bonded in a 13-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), one Re(1), two equivalent Re(2), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Ta(1), one Ta(2), one Ta(3), two equivalent Re(1), and four equivalent Re(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), one Re(1), and two equivalent Re(2) atoms. is represented by the CIF card [CIF]
data_TaReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.634
_cell_length_b   6.950
_cell_length_c   7.461
_cell_angle_alpha   117.758
_cell_angle_beta   116.393
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.228
_cell_formula_units_Z   6
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  0.904  0.945  0.390  1.0
  Ta  Ta1  1  0.514  0.055  0.610  1.0
  Ta  Ta2  1  0.501  0.534  0.568  1.0
  Ta  Ta3  1  0.933  0.466  0.432  1.0
  Ta  Ta4  1  0.089  0.748  0.995  1.0
  Ta  Ta5  1  0.094  0.252  0.005  1.0
  Re  Re6  1  0.755  0.500  0.000  1.0
  Re  Re7  1  0.755  0.000  0.000  1.0
  Re  Re8  1  0.250  0.907  0.745  1.0
  Re  Re9  1  0.504  0.093  0.255  1.0
  Re  Re10  1  0.250  0.338  0.745  1.0
  Re  Re11  1  0.504  0.662  0.255  1.0
  Si  Si12  1  0.463  0.723  0.945  1.0
  Si  Si13  1  0.518  0.277  0.055  1.0
  Si  Si14  1  0.174  0.672  0.335  1.0
  Si  Si15  1  0.839  0.328  0.665  1.0
  Si  Si16  1  0.174  0.163  0.335  1.0
  Si  Si17  1  0.839  0.837  0.665  1.0
[/CIF]
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The structure described by TaReSi crystallizes in the orthorhombic Ima2 space group. There are three inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 11-coordinate geometry to two equivalent Re(1), four equivalent Re(2), one Si(1), and four equivalent Si(2) atoms. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to two equivalent Re(1), four equivalent Re(2), one Si(1), and four equivalent Si(2) atoms. In the third Ta site, Ta(3) is bonded in a 11-coordinate geometry to two equivalent Re(1), four equivalent Re(2), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 10-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), two equivalent Re(2), two equivalent Si(1), and two equivalent Si(2) atoms. In the second Re site, Re(2) is bonded in a 13-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), one Re(1), two equivalent Re(2), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Ta(1), one Ta(2), one Ta(3), two equivalent Re(1), and four equivalent Re(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), two equivalent Ta(3), one Re(1), and two equivalent Re(2) atoms. is represented by the CIF card [CIF]
data_TaReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.634
_cell_length_b   6.950
_cell_length_c   7.461
_cell_angle_alpha   117.758
_cell_angle_beta   116.393
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   263.228
_cell_formula_units_Z   6
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  0.904  0.945  0.390  1.0
  Ta  Ta1  1  0.514  0.055  0.610  1.0
  Ta  Ta2  1  0.501  0.534  0.568  1.0
  Ta  Ta3  1  0.933  0.466  0.432  1.0
  Ta  Ta4  1  0.089  0.748  0.995  1.0
  Ta  Ta5  1  0.094  0.252  0.005  1.0
  Re  Re6  1  0.755  0.500  0.000  1.0
  Re  Re7  1  0.755  0.000  0.000  1.0
  Re  Re8  1  0.250  0.907  0.745  1.0
  Re  Re9  1  0.504  0.093  0.255  1.0
  Re  Re10  1  0.250  0.338  0.745  1.0
  Re  Re11  1  0.504  0.662  0.255  1.0
  Si  Si12  1  0.463  0.723  0.945  1.0
  Si  Si13  1  0.518  0.277  0.055  1.0
  Si  Si14  1  0.174  0.672  0.335  1.0
  Si  Si15  1  0.839  0.328  0.665  1.0
  Si  Si16  1  0.174  0.163  0.335  1.0
  Si  Si17  1  0.839  0.837  0.665  1.0
[/CIF]
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