The material described by Nb2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Nb(1) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(1), and four equivalent Si(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1), two equivalent Si(2), 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 Nb(1), four equivalent Cr(2), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Nb(1), two equivalent Cr(1), four equivalent Cr(2), and three equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to four equivalent Nb(1), one Cr(2), and four equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Nb2Cr4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.062
_cell_length_b   9.062
_cell_length_c   9.062
_cell_angle_alpha   148.902
_cell_angle_beta   131.093
_cell_angle_gamma   59.098
_symmetry_Int_Tables_number   1
_cell_volume   287.379
_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  0.980  0.359  0.621  1.0
  Nb  Nb1  1  0.020  0.641  0.379  1.0
  Nb  Nb2  1  0.262  0.141  0.121  1.0
  Nb  Nb3  1  0.738  0.859  0.879  1.0
  Cr  Cr4  1  0.309  0.059  0.750  1.0
  Cr  Cr5  1  0.691  0.441  0.750  1.0
  Cr  Cr6  1  0.803  0.061  0.742  1.0
  Cr  Cr7  1  0.197  0.939  0.258  1.0
  Cr  Cr8  1  0.681  0.439  0.242  1.0
  Cr  Cr9  1  0.319  0.561  0.758  1.0
  Cr  Cr10  1  0.691  0.941  0.250  1.0
  Cr  Cr11  1  0.309  0.559  0.250  1.0
  Si  Si12  1  0.000  0.750  0.750  1.0
  Si  Si13  1  1.000  0.250  0.250  1.0
  Si  Si14  1  0.356  0.435  0.921  1.0
  Si  Si15  1  0.644  0.565  0.079  1.0
  Si  Si16  1  0.006  0.213  0.794  1.0
  Si  Si17  1  0.993  0.787  0.206  1.0
  Si  Si18  1  0.581  0.287  0.294  1.0
  Si  Si19  1  0.419  0.713  0.706  1.0
  Si  Si20  1  0.514  0.935  0.579  1.0
  Si  Si21  1  0.486  0.065  0.421  1.0
[/CIF]
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The material described by Nb2Cr4Si5 crystallizes in the orthorhombic Ibam space group. Nb(1) is bonded in a 7-coordinate geometry to one Si(2), two equivalent Si(1), and four equivalent Si(3) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 8-coordinate geometry to two equivalent Cr(1), two equivalent Si(2), 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 Nb(1), four equivalent Cr(2), and two equivalent Si(1) atoms. In the second Si site, Si(2) is bonded in a 10-coordinate geometry to one Nb(1), two equivalent Cr(1), four equivalent Cr(2), and three equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to four equivalent Nb(1), one Cr(2), and four equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Nb2Cr4Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.062
_cell_length_b   9.062
_cell_length_c   9.062
_cell_angle_alpha   148.902
_cell_angle_beta   131.093
_cell_angle_gamma   59.098
_symmetry_Int_Tables_number   1
_cell_volume   287.379
_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  0.980  0.359  0.621  1.0
  Nb  Nb1  1  0.020  0.641  0.379  1.0
  Nb  Nb2  1  0.262  0.141  0.121  1.0
  Nb  Nb3  1  0.738  0.859  0.879  1.0
  Cr  Cr4  1  0.309  0.059  0.750  1.0
  Cr  Cr5  1  0.691  0.441  0.750  1.0
  Cr  Cr6  1  0.803  0.061  0.742  1.0
  Cr  Cr7  1  0.197  0.939  0.258  1.0
  Cr  Cr8  1  0.681  0.439  0.242  1.0
  Cr  Cr9  1  0.319  0.561  0.758  1.0
  Cr  Cr10  1  0.691  0.941  0.250  1.0
  Cr  Cr11  1  0.309  0.559  0.250  1.0
  Si  Si12  1  0.000  0.750  0.750  1.0
  Si  Si13  1  1.000  0.250  0.250  1.0
  Si  Si14  1  0.356  0.435  0.921  1.0
  Si  Si15  1  0.644  0.565  0.079  1.0
  Si  Si16  1  0.006  0.213  0.794  1.0
  Si  Si17  1  0.993  0.787  0.206  1.0
  Si  Si18  1  0.581  0.287  0.294  1.0
  Si  Si19  1  0.419  0.713  0.706  1.0
  Si  Si20  1  0.514  0.935  0.579  1.0
  Si  Si21  1  0.486  0.065  0.421  1.0
[/CIF]
.