The crystal structure described by Ta2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Ta(1) is bonded in a 6-coordinate geometry to two equivalent Si(3) and four equivalent Si(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(1), and four equivalent Si(3) atoms. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to four equivalent Cr(1), four equivalent Cr(2), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Ta(1), one Cr(1), and four equivalent Cr(2) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Ta(1), one Cr(2), four equivalent Cr(1), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2Cr4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.325
_cell_length_b   9.325
_cell_length_c   9.325
_cell_angle_alpha   147.930
_cell_angle_beta   132.914
_cell_angle_gamma   58.109
_symmetry_Int_Tables_number   1
_cell_volume   312.800
_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  0.810  0.560  0.750  1.0
  Ta  Ta1  1  0.190  0.940  0.750  1.0
  Ta  Ta2  1  0.190  0.440  0.250  1.0
  Ta  Ta3  1  0.810  0.060  0.250  1.0
  Cr  Cr4  1  0.189  0.939  0.250  1.0
  Cr  Cr5  1  0.811  0.061  0.750  1.0
  Cr  Cr6  1  0.310  0.561  0.750  1.0
  Cr  Cr7  1  0.690  0.439  0.250  1.0
  Cr  Cr8  1  0.766  0.644  0.123  1.0
  Cr  Cr9  1  0.234  0.356  0.877  1.0
  Cr  Cr10  1  0.479  0.856  0.623  1.0
  Cr  Cr11  1  0.521  0.144  0.377  1.0
  Si  Si12  1  0.500  0.250  0.750  1.0
  Si  Si13  1  0.500  0.750  0.250  1.0
  Si  Si14  1  0.106  0.797  0.309  1.0
  Si  Si15  1  0.894  0.203  0.691  1.0
  Si  Si16  1  0.512  0.703  0.809  1.0
  Si  Si17  1  0.488  0.297  0.191  1.0
  Si  Si18  1  0.969  0.560  0.409  1.0
  Si  Si19  1  0.031  0.440  0.591  1.0
  Si  Si20  1  0.850  0.940  0.909  1.0
  Si  Si21  1  0.150  0.060  0.091  1.0
[/CIF]
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The crystal structure described by Ta2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Ta(1) is bonded in a 6-coordinate geometry to two equivalent Si(3) and four equivalent Si(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(1), and four equivalent Si(3) atoms. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to four equivalent Cr(1), four equivalent Cr(2), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Ta(1), one Cr(1), and four equivalent Cr(2) atoms. In the third Si site, Si(3) is bonded in a 8-coordinate geometry to two equivalent Ta(1), one Cr(2), four equivalent Cr(1), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2Cr4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.325
_cell_length_b   9.325
_cell_length_c   9.325
_cell_angle_alpha   147.930
_cell_angle_beta   132.914
_cell_angle_gamma   58.109
_symmetry_Int_Tables_number   1
_cell_volume   312.800
_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  0.810  0.560  0.750  1.0
  Ta  Ta1  1  0.190  0.940  0.750  1.0
  Ta  Ta2  1  0.190  0.440  0.250  1.0
  Ta  Ta3  1  0.810  0.060  0.250  1.0
  Cr  Cr4  1  0.189  0.939  0.250  1.0
  Cr  Cr5  1  0.811  0.061  0.750  1.0
  Cr  Cr6  1  0.310  0.561  0.750  1.0
  Cr  Cr7  1  0.690  0.439  0.250  1.0
  Cr  Cr8  1  0.766  0.644  0.123  1.0
  Cr  Cr9  1  0.234  0.356  0.877  1.0
  Cr  Cr10  1  0.479  0.856  0.623  1.0
  Cr  Cr11  1  0.521  0.144  0.377  1.0
  Si  Si12  1  0.500  0.250  0.750  1.0
  Si  Si13  1  0.500  0.750  0.250  1.0
  Si  Si14  1  0.106  0.797  0.309  1.0
  Si  Si15  1  0.894  0.203  0.691  1.0
  Si  Si16  1  0.512  0.703  0.809  1.0
  Si  Si17  1  0.488  0.297  0.191  1.0
  Si  Si18  1  0.969  0.560  0.409  1.0
  Si  Si19  1  0.031  0.440  0.591  1.0
  Si  Si20  1  0.850  0.940  0.909  1.0
  Si  Si21  1  0.150  0.060  0.091  1.0
[/CIF]
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