The material structure described by Ta2Mn4Si5 crystallizes in the orthorhombic Ibam space group. Ta(1) is bonded in a 6-coordinate geometry to two equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1), one Mn(1), four equivalent Mn(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Ta(1), one Mn(2), and four equivalent Mn(1) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), and two equivalent Si(3) atoms. is represented by the CIF file [CIF]
data_Ta2Mn4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.445
_cell_length_b   9.445
_cell_length_c   9.445
_cell_angle_alpha   148.124
_cell_angle_beta   134.655
_cell_angle_gamma   56.493
_symmetry_Int_Tables_number   1
_cell_volume   314.255
_cell_formula_units_Z   2
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  0.686  0.936  0.250  1.0
  Ta  Ta1  1  0.686  0.436  0.750  1.0
  Ta  Ta2  1  0.314  0.064  0.750  1.0
  Ta  Ta3  1  0.314  0.564  0.250  1.0
  Mn  Mn4  1  0.269  0.148  0.121  1.0
  Mn  Mn5  1  0.186  0.935  0.251  1.0
  Mn  Mn6  1  0.973  0.352  0.621  1.0
  Mn  Mn7  1  0.027  0.648  0.379  1.0
  Mn  Mn8  1  0.684  0.435  0.249  1.0
  Mn  Mn9  1  0.316  0.565  0.751  1.0
  Mn  Mn10  1  0.814  0.065  0.749  1.0
  Mn  Mn11  1  0.731  0.852  0.879  1.0
  Si  Si12  1  0.458  0.058  0.399  1.0
  Si  Si13  1  0.397  0.706  0.691  1.0
  Si  Si14  1  0.015  0.206  0.809  1.0
  Si  Si15  1  0.985  0.794  0.191  1.0
  Si  Si16  1  0.000  0.250  0.250  1.0
  Si  Si17  1  0.000  0.750  0.750  1.0
  Si  Si18  1  0.603  0.294  0.309  1.0
  Si  Si19  1  0.659  0.558  0.101  1.0
  Si  Si20  1  0.542  0.942  0.601  1.0
  Si  Si21  1  0.341  0.442  0.899  1.0
[/CIF]
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The material structure described by Ta2Mn4Si5 crystallizes in the orthorhombic Ibam space group. Ta(1) is bonded in a 6-coordinate geometry to two equivalent Si(1) and four equivalent Si(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. In the second Mn site, Mn(2) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(3), and four equivalent Si(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1), one Mn(1), four equivalent Mn(2), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Ta(1), one Mn(2), and four equivalent Mn(1) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), and two equivalent Si(3) atoms. is represented by the CIF file [CIF]
data_Ta2Mn4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.445
_cell_length_b   9.445
_cell_length_c   9.445
_cell_angle_alpha   148.124
_cell_angle_beta   134.655
_cell_angle_gamma   56.493
_symmetry_Int_Tables_number   1
_cell_volume   314.255
_cell_formula_units_Z   2
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  0.686  0.936  0.250  1.0
  Ta  Ta1  1  0.686  0.436  0.750  1.0
  Ta  Ta2  1  0.314  0.064  0.750  1.0
  Ta  Ta3  1  0.314  0.564  0.250  1.0
  Mn  Mn4  1  0.269  0.148  0.121  1.0
  Mn  Mn5  1  0.186  0.935  0.251  1.0
  Mn  Mn6  1  0.973  0.352  0.621  1.0
  Mn  Mn7  1  0.027  0.648  0.379  1.0
  Mn  Mn8  1  0.684  0.435  0.249  1.0
  Mn  Mn9  1  0.316  0.565  0.751  1.0
  Mn  Mn10  1  0.814  0.065  0.749  1.0
  Mn  Mn11  1  0.731  0.852  0.879  1.0
  Si  Si12  1  0.458  0.058  0.399  1.0
  Si  Si13  1  0.397  0.706  0.691  1.0
  Si  Si14  1  0.015  0.206  0.809  1.0
  Si  Si15  1  0.985  0.794  0.191  1.0
  Si  Si16  1  0.000  0.250  0.250  1.0
  Si  Si17  1  0.000  0.750  0.750  1.0
  Si  Si18  1  0.603  0.294  0.309  1.0
  Si  Si19  1  0.659  0.558  0.101  1.0
  Si  Si20  1  0.542  0.942  0.601  1.0
  Si  Si21  1  0.341  0.442  0.899  1.0
[/CIF]
.