The material structure described by ZrFeSi crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1) and five equivalent Si(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Zr(1) and four equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_ZrFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.010
_cell_length_b   6.483
_cell_length_c   6.936
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.300
_cell_formula_units_Z   4
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  0.250  0.989  0.303  1.0
  Zr  Zr1  1  0.250  0.489  0.197  1.0
  Zr  Zr2  1  0.750  0.011  0.697  1.0
  Zr  Zr3  1  0.750  0.511  0.803  1.0
  Fe  Fe4  1  0.250  0.152  0.937  1.0
  Fe  Fe5  1  0.250  0.652  0.563  1.0
  Fe  Fe6  1  0.750  0.848  0.063  1.0
  Fe  Fe7  1  0.750  0.348  0.437  1.0
  Si  Si8  1  0.250  0.292  0.606  1.0
  Si  Si9  1  0.250  0.792  0.894  1.0
  Si  Si10  1  0.750  0.708  0.394  1.0
  Si  Si11  1  0.750  0.208  0.106  1.0
[/CIF]
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The material structure described by ZrFeSi crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 9-coordinate geometry to four equivalent Fe(1) and five equivalent Si(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Zr(1) and four equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_ZrFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.010
_cell_length_b   6.483
_cell_length_c   6.936
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   180.300
_cell_formula_units_Z   4
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  0.250  0.989  0.303  1.0
  Zr  Zr1  1  0.250  0.489  0.197  1.0
  Zr  Zr2  1  0.750  0.011  0.697  1.0
  Zr  Zr3  1  0.750  0.511  0.803  1.0
  Fe  Fe4  1  0.250  0.152  0.937  1.0
  Fe  Fe5  1  0.250  0.652  0.563  1.0
  Fe  Fe6  1  0.750  0.848  0.063  1.0
  Fe  Fe7  1  0.750  0.348  0.437  1.0
  Si  Si8  1  0.250  0.292  0.606  1.0
  Si  Si9  1  0.250  0.792  0.894  1.0
  Si  Si10  1  0.750  0.708  0.394  1.0
  Si  Si11  1  0.750  0.208  0.106  1.0
[/CIF]
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