The crystal structure described by Zr2Ni3Si4 crystallizes in the orthorhombic Cmce space group. Zr(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), four equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Zr(1), two equivalent Si(2), and four equivalent Si(1) atoms to form a mixture of distorted edge and face-sharing NiZr6Si6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 11-coordinate geometry to four equivalent Zr(1), two equivalent Ni(2), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to four equivalent Zr(1), one Ni(2), and two equivalent Ni(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Ni(1), and four equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Zr2Si4Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.319
_cell_length_b   7.319
_cell_length_c   6.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.577
_symmetry_Int_Tables_number   1
_cell_volume   243.276
_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
  Zr  Zr0  1  0.105  0.895  0.598  1.0
  Zr  Zr1  1  0.895  0.105  0.402  1.0
  Zr  Zr2  1  0.395  0.605  0.098  1.0
  Zr  Zr3  1  0.605  0.395  0.902  1.0
  Si  Si4  1  0.812  0.688  0.250  1.0
  Si  Si5  1  0.688  0.812  0.750  1.0
  Si  Si6  1  0.188  0.312  0.750  1.0
  Si  Si7  1  0.312  0.188  0.250  1.0
  Si  Si8  1  0.183  0.817  0.978  1.0
  Si  Si9  1  0.817  0.183  0.022  1.0
  Si  Si10  1  0.317  0.683  0.478  1.0
  Si  Si11  1  0.683  0.317  0.522  1.0
  Ni  Ni12  1  0.000  0.000  0.000  1.0
  Ni  Ni13  1  0.500  0.500  0.500  1.0
  Ni  Ni14  1  0.978  0.522  0.250  1.0
  Ni  Ni15  1  0.522  0.978  0.750  1.0
  Ni  Ni16  1  0.022  0.478  0.750  1.0
  Ni  Ni17  1  0.478  0.022  0.250  1.0
[/CIF]
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The crystal structure described by Zr2Ni3Si4 crystallizes in the orthorhombic Cmce space group. Zr(1) is bonded in a 9-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), four equivalent Si(1), and four equivalent Si(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Zr(1), two equivalent Si(2), and four equivalent Si(1) atoms to form a mixture of distorted edge and face-sharing NiZr6Si6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 11-coordinate geometry to four equivalent Zr(1), two equivalent Ni(2), one Si(1), and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to four equivalent Zr(1), one Ni(2), and two equivalent Ni(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Zr(1), one Ni(1), and four equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Zr2Si4Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.319
_cell_length_b   7.319
_cell_length_c   6.864
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   138.577
_symmetry_Int_Tables_number   1
_cell_volume   243.276
_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
  Zr  Zr0  1  0.105  0.895  0.598  1.0
  Zr  Zr1  1  0.895  0.105  0.402  1.0
  Zr  Zr2  1  0.395  0.605  0.098  1.0
  Zr  Zr3  1  0.605  0.395  0.902  1.0
  Si  Si4  1  0.812  0.688  0.250  1.0
  Si  Si5  1  0.688  0.812  0.750  1.0
  Si  Si6  1  0.188  0.312  0.750  1.0
  Si  Si7  1  0.312  0.188  0.250  1.0
  Si  Si8  1  0.183  0.817  0.978  1.0
  Si  Si9  1  0.817  0.183  0.022  1.0
  Si  Si10  1  0.317  0.683  0.478  1.0
  Si  Si11  1  0.683  0.317  0.522  1.0
  Ni  Ni12  1  0.000  0.000  0.000  1.0
  Ni  Ni13  1  0.500  0.500  0.500  1.0
  Ni  Ni14  1  0.978  0.522  0.250  1.0
  Ni  Ni15  1  0.522  0.978  0.750  1.0
  Ni  Ni16  1  0.022  0.478  0.750  1.0
  Ni  Ni17  1  0.478  0.022  0.250  1.0
[/CIF]
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