The compound described by Nb2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Si(1) 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(3), and four equivalent Si(1) atoms. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1), one Cr(2), four equivalent Cr(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Nb(1), one Cr(1), and four equivalent Cr(2) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to four equivalent Cr(1), four equivalent Cr(2), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Nb2Cr4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.335
_cell_length_b   9.335
_cell_length_c   9.335
_cell_angle_alpha   148.087
_cell_angle_beta   132.868
_cell_angle_gamma   58.051
_symmetry_Int_Tables_number   1
_cell_volume   312.754
_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
  Nb  Nb0  1  0.691  0.441  0.750  1.0
  Nb  Nb1  1  0.309  0.559  0.250  1.0
  Nb  Nb2  1  0.309  0.059  0.750  1.0
  Nb  Nb3  1  0.691  0.941  0.250  1.0
  Cr  Cr4  1  0.310  0.561  0.749  1.0
  Cr  Cr5  1  0.690  0.439  0.251  1.0
  Cr  Cr6  1  0.021  0.642  0.379  1.0
  Cr  Cr7  1  0.188  0.939  0.249  1.0
  Cr  Cr8  1  0.979  0.358  0.621  1.0
  Cr  Cr9  1  0.264  0.142  0.121  1.0
  Cr  Cr10  1  0.736  0.858  0.879  1.0
  Cr  Cr11  1  0.812  0.061  0.751  1.0
  Si  Si12  1  0.528  0.940  0.588  1.0
  Si  Si13  1  0.393  0.703  0.691  1.0
  Si  Si14  1  0.988  0.797  0.191  1.0
  Si  Si15  1  0.012  0.203  0.809  1.0
  Si  Si16  1  0.472  0.060  0.412  1.0
  Si  Si17  1  0.000  0.250  0.250  1.0
  Si  Si18  1  0.352  0.440  0.912  1.0
  Si  Si19  1  0.648  0.560  0.088  1.0
  Si  Si20  1  0.000  0.750  0.750  1.0
  Si  Si21  1  0.607  0.297  0.309  1.0
[/CIF]
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The compound described by Nb2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Nb(1) is bonded in a 6-coordinate geometry to two equivalent Si(1) 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(3), and four equivalent Si(1) atoms. In the second Cr site, Cr(2) is bonded in a 7-coordinate geometry to one Si(1), two equivalent Si(3), and four equivalent Si(2) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1), one Cr(2), four equivalent Cr(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Nb(1), one Cr(1), and four equivalent Cr(2) atoms. In the third Si site, Si(3) is bonded in a 10-coordinate geometry to four equivalent Cr(1), four equivalent Cr(2), and two equivalent Si(3) atoms. is represented by the CIF card [CIF]
data_Nb2Cr4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.335
_cell_length_b   9.335
_cell_length_c   9.335
_cell_angle_alpha   148.087
_cell_angle_beta   132.868
_cell_angle_gamma   58.051
_symmetry_Int_Tables_number   1
_cell_volume   312.754
_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
  Nb  Nb0  1  0.691  0.441  0.750  1.0
  Nb  Nb1  1  0.309  0.559  0.250  1.0
  Nb  Nb2  1  0.309  0.059  0.750  1.0
  Nb  Nb3  1  0.691  0.941  0.250  1.0
  Cr  Cr4  1  0.310  0.561  0.749  1.0
  Cr  Cr5  1  0.690  0.439  0.251  1.0
  Cr  Cr6  1  0.021  0.642  0.379  1.0
  Cr  Cr7  1  0.188  0.939  0.249  1.0
  Cr  Cr8  1  0.979  0.358  0.621  1.0
  Cr  Cr9  1  0.264  0.142  0.121  1.0
  Cr  Cr10  1  0.736  0.858  0.879  1.0
  Cr  Cr11  1  0.812  0.061  0.751  1.0
  Si  Si12  1  0.528  0.940  0.588  1.0
  Si  Si13  1  0.393  0.703  0.691  1.0
  Si  Si14  1  0.988  0.797  0.191  1.0
  Si  Si15  1  0.012  0.203  0.809  1.0
  Si  Si16  1  0.472  0.060  0.412  1.0
  Si  Si17  1  0.000  0.250  0.250  1.0
  Si  Si18  1  0.352  0.440  0.912  1.0
  Si  Si19  1  0.648  0.560  0.088  1.0
  Si  Si20  1  0.000  0.750  0.750  1.0
  Si  Si21  1  0.607  0.297  0.309  1.0
[/CIF]
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