The material described by ZrCrSi crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. Cr(1) is bonded in a 4-coordinate geometry to four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Zr(1) and four equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_ZrCrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.520
_cell_length_b   6.741
_cell_length_c   7.888
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.159
_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  0.750  0.459  0.171  1.0
  Zr  Zr1  1  0.750  0.959  0.329  1.0
  Zr  Zr2  1  0.250  0.541  0.829  1.0
  Zr  Zr3  1  0.250  0.041  0.671  1.0
  Cr  Cr4  1  0.750  0.378  0.558  1.0
  Cr  Cr5  1  0.750  0.878  0.942  1.0
  Cr  Cr6  1  0.250  0.622  0.442  1.0
  Cr  Cr7  1  0.250  0.122  0.058  1.0
  Si  Si8  1  0.750  0.239  0.867  1.0
  Si  Si9  1  0.750  0.739  0.633  1.0
  Si  Si10  1  0.250  0.761  0.133  1.0
  Si  Si11  1  0.250  0.261  0.367  1.0
[/CIF]
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The material described by ZrCrSi crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. Cr(1) is bonded in a 4-coordinate geometry to four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Zr(1) and four equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_ZrCrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.520
_cell_length_b   6.741
_cell_length_c   7.888
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.159
_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  0.750  0.459  0.171  1.0
  Zr  Zr1  1  0.750  0.959  0.329  1.0
  Zr  Zr2  1  0.250  0.541  0.829  1.0
  Zr  Zr3  1  0.250  0.041  0.671  1.0
  Cr  Cr4  1  0.750  0.378  0.558  1.0
  Cr  Cr5  1  0.750  0.878  0.942  1.0
  Cr  Cr6  1  0.250  0.622  0.442  1.0
  Cr  Cr7  1  0.250  0.122  0.058  1.0
  Si  Si8  1  0.750  0.239  0.867  1.0
  Si  Si9  1  0.750  0.739  0.633  1.0
  Si  Si10  1  0.250  0.761  0.133  1.0
  Si  Si11  1  0.250  0.261  0.367  1.0
[/CIF]
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