The material structure described by Zr3Si crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to four equivalent Si(1) atoms. In the third Zr site, Zr(3) is bonded in a 3-coordinate geometry to three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_Zr3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.025
_cell_length_b   11.025
_cell_length_c   5.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   661.715
_cell_formula_units_Z   8
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
  Zr  Zr0  1  0.918  0.608  0.534  1.0
  Zr  Zr1  1  0.082  0.392  0.534  1.0
  Zr  Zr2  1  0.892  0.418  0.034  1.0
  Zr  Zr3  1  0.108  0.582  0.034  1.0
  Zr  Zr4  1  0.582  0.892  0.966  1.0
  Zr  Zr5  1  0.418  0.108  0.966  1.0
  Zr  Zr6  1  0.608  0.082  0.466  1.0
  Zr  Zr7  1  0.392  0.918  0.466  1.0
  Zr  Zr8  1  0.862  0.972  0.722  1.0
  Zr  Zr9  1  0.138  0.028  0.722  1.0
  Zr  Zr10  1  0.528  0.362  0.222  1.0
  Zr  Zr11  1  0.472  0.638  0.222  1.0
  Zr  Zr12  1  0.638  0.528  0.778  1.0
  Zr  Zr13  1  0.362  0.472  0.778  1.0
  Zr  Zr14  1  0.972  0.138  0.278  1.0
  Zr  Zr15  1  0.028  0.862  0.278  1.0
  Zr  Zr16  1  0.821  0.716  0.010  1.0
  Zr  Zr17  1  0.179  0.284  0.010  1.0
  Zr  Zr18  1  0.784  0.321  0.510  1.0
  Zr  Zr19  1  0.216  0.679  0.510  1.0
  Zr  Zr20  1  0.679  0.784  0.490  1.0
  Zr  Zr21  1  0.321  0.216  0.490  1.0
  Zr  Zr22  1  0.716  0.179  0.990  1.0
  Zr  Zr23  1  0.284  0.821  0.990  1.0
  Si  Si24  1  0.795  0.958  0.212  1.0
  Si  Si25  1  0.205  0.042  0.212  1.0
  Si  Si26  1  0.542  0.295  0.712  1.0
  Si  Si27  1  0.458  0.705  0.712  1.0
  Si  Si28  1  0.705  0.542  0.288  1.0
  Si  Si29  1  0.295  0.458  0.288  1.0
  Si  Si30  1  0.958  0.205  0.788  1.0
  Si  Si31  1  0.042  0.795  0.788  1.0
[/CIF]
.
The material structure described by Zr3Si crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Si(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to four equivalent Si(1) atoms. In the third Zr site, Zr(3) is bonded in a 3-coordinate geometry to three equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), three equivalent Zr(3), and four equivalent Zr(2) atoms. is represented by the CIF file [CIF]
data_Zr3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.025
_cell_length_b   11.025
_cell_length_c   5.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   661.715
_cell_formula_units_Z   8
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
  Zr  Zr0  1  0.918  0.608  0.534  1.0
  Zr  Zr1  1  0.082  0.392  0.534  1.0
  Zr  Zr2  1  0.892  0.418  0.034  1.0
  Zr  Zr3  1  0.108  0.582  0.034  1.0
  Zr  Zr4  1  0.582  0.892  0.966  1.0
  Zr  Zr5  1  0.418  0.108  0.966  1.0
  Zr  Zr6  1  0.608  0.082  0.466  1.0
  Zr  Zr7  1  0.392  0.918  0.466  1.0
  Zr  Zr8  1  0.862  0.972  0.722  1.0
  Zr  Zr9  1  0.138  0.028  0.722  1.0
  Zr  Zr10  1  0.528  0.362  0.222  1.0
  Zr  Zr11  1  0.472  0.638  0.222  1.0
  Zr  Zr12  1  0.638  0.528  0.778  1.0
  Zr  Zr13  1  0.362  0.472  0.778  1.0
  Zr  Zr14  1  0.972  0.138  0.278  1.0
  Zr  Zr15  1  0.028  0.862  0.278  1.0
  Zr  Zr16  1  0.821  0.716  0.010  1.0
  Zr  Zr17  1  0.179  0.284  0.010  1.0
  Zr  Zr18  1  0.784  0.321  0.510  1.0
  Zr  Zr19  1  0.216  0.679  0.510  1.0
  Zr  Zr20  1  0.679  0.784  0.490  1.0
  Zr  Zr21  1  0.321  0.216  0.490  1.0
  Zr  Zr22  1  0.716  0.179  0.990  1.0
  Zr  Zr23  1  0.284  0.821  0.990  1.0
  Si  Si24  1  0.795  0.958  0.212  1.0
  Si  Si25  1  0.205  0.042  0.212  1.0
  Si  Si26  1  0.542  0.295  0.712  1.0
  Si  Si27  1  0.458  0.705  0.712  1.0
  Si  Si28  1  0.705  0.542  0.288  1.0
  Si  Si29  1  0.295  0.458  0.288  1.0
  Si  Si30  1  0.958  0.205  0.788  1.0
  Si  Si31  1  0.042  0.795  0.788  1.0
[/CIF]
.