The crystal structure described by Hf2Ni3Si4 crystallizes in the orthorhombic Cmce space group. Hf(1) is bonded in a 9-coordinate geometry to three equivalent Ni(2), four equivalent Ni(1), 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 in a 11-coordinate geometry to four equivalent Hf(1), two equivalent Ni(1), one Si(2), and four equivalent Si(1) atoms. In the second Ni site, Ni(2) is bonded to six equivalent Hf(1), two equivalent Si(1), and four equivalent Si(2) atoms to form a mixture of distorted edge and face-sharing NiHf6Si6 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to four equivalent Hf(1), one Ni(2), four equivalent Ni(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to four equivalent Hf(1), one Ni(1), two equivalent Ni(2), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Si4Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   6.826
_cell_length_c   7.256
_cell_angle_alpha   90.000
_cell_angle_beta   110.772
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.350
_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
  Hf  Hf0  1  0.396  0.902  0.792  1.0
  Hf  Hf1  1  0.604  0.098  0.208  1.0
  Hf  Hf2  1  0.104  0.402  0.208  1.0
  Hf  Hf3  1  0.896  0.598  0.792  1.0
  Si  Si4  1  0.319  0.522  0.637  1.0
  Si  Si5  1  0.681  0.478  0.363  1.0
  Si  Si6  1  0.181  0.022  0.363  1.0
  Si  Si7  1  0.819  0.978  0.637  1.0
  Si  Si8  1  0.312  0.750  0.124  1.0
  Si  Si9  1  0.188  0.250  0.876  1.0
  Si  Si10  1  0.812  0.750  0.124  1.0
  Si  Si11  1  0.688  0.250  0.876  1.0
  Ni  Ni12  1  0.979  0.750  0.459  1.0
  Ni  Ni13  1  0.521  0.250  0.541  1.0
  Ni  Ni14  1  0.500  0.500  0.000  1.0
  Ni  Ni15  1  0.000  0.000  0.000  1.0
  Ni  Ni16  1  0.021  0.250  0.541  1.0
  Ni  Ni17  1  0.479  0.750  0.459  1.0
[/CIF]
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The crystal structure described by Hf2Ni3Si4 crystallizes in the orthorhombic Cmce space group. Hf(1) is bonded in a 9-coordinate geometry to three equivalent Ni(2), four equivalent Ni(1), 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 in a 11-coordinate geometry to four equivalent Hf(1), two equivalent Ni(1), one Si(2), and four equivalent Si(1) atoms. In the second Ni site, Ni(2) is bonded to six equivalent Hf(1), two equivalent Si(1), and four equivalent Si(2) atoms to form a mixture of distorted edge and face-sharing NiHf6Si6 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 11-coordinate geometry to four equivalent Hf(1), one Ni(2), four equivalent Ni(1), and two equivalent Si(2) atoms. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to four equivalent Hf(1), one Ni(1), two equivalent Ni(2), and two equivalent Si(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Si4Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.147
_cell_length_b   6.826
_cell_length_c   7.256
_cell_angle_alpha   90.000
_cell_angle_beta   110.772
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.350
_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
  Hf  Hf0  1  0.396  0.902  0.792  1.0
  Hf  Hf1  1  0.604  0.098  0.208  1.0
  Hf  Hf2  1  0.104  0.402  0.208  1.0
  Hf  Hf3  1  0.896  0.598  0.792  1.0
  Si  Si4  1  0.319  0.522  0.637  1.0
  Si  Si5  1  0.681  0.478  0.363  1.0
  Si  Si6  1  0.181  0.022  0.363  1.0
  Si  Si7  1  0.819  0.978  0.637  1.0
  Si  Si8  1  0.312  0.750  0.124  1.0
  Si  Si9  1  0.188  0.250  0.876  1.0
  Si  Si10  1  0.812  0.750  0.124  1.0
  Si  Si11  1  0.688  0.250  0.876  1.0
  Ni  Ni12  1  0.979  0.750  0.459  1.0
  Ni  Ni13  1  0.521  0.250  0.541  1.0
  Ni  Ni14  1  0.500  0.500  0.000  1.0
  Ni  Ni15  1  0.000  0.000  0.000  1.0
  Ni  Ni16  1  0.021  0.250  0.541  1.0
  Ni  Ni17  1  0.479  0.750  0.459  1.0
[/CIF]
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