The compound described by Ni2AlSi crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to three equivalent Al(1) and four equivalent Si(1) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to four equivalent Al(1) and three equivalent Si(1) atoms. Al(1) is bonded in a 7-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), and four equivalent Si(1) atoms. Si(1) is bonded in a 11-coordinate geometry to three equivalent Ni(2), four equivalent Ni(1), and four equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlSiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.530
_cell_length_b   4.480
_cell_length_c   4.510
_cell_angle_alpha   88.202
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.492
_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
  Al  Al0  1  0.650  0.095  0.347  1.0
  Al  Al1  1  0.150  0.905  0.653  1.0
  Si  Si2  1  0.345  0.601  0.160  1.0
  Si  Si3  1  0.845  0.399  0.840  1.0
  Ni  Ni4  1  0.357  0.405  0.658  1.0
  Ni  Ni5  1  0.857  0.595  0.342  1.0
  Ni  Ni6  1  0.648  0.888  0.860  1.0
  Ni  Ni7  1  0.148  0.112  0.140  1.0
[/CIF]
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The compound described by Ni2AlSi crystallizes in the monoclinic P2_1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 7-coordinate geometry to three equivalent Al(1) and four equivalent Si(1) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to four equivalent Al(1) and three equivalent Si(1) atoms. Al(1) is bonded in a 7-coordinate geometry to three equivalent Ni(1), four equivalent Ni(2), and four equivalent Si(1) atoms. Si(1) is bonded in a 11-coordinate geometry to three equivalent Ni(2), four equivalent Ni(1), and four equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlSiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.530
_cell_length_b   4.480
_cell_length_c   4.510
_cell_angle_alpha   88.202
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   91.492
_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
  Al  Al0  1  0.650  0.095  0.347  1.0
  Al  Al1  1  0.150  0.905  0.653  1.0
  Si  Si2  1  0.345  0.601  0.160  1.0
  Si  Si3  1  0.845  0.399  0.840  1.0
  Ni  Ni4  1  0.357  0.405  0.658  1.0
  Ni  Ni5  1  0.857  0.595  0.342  1.0
  Ni  Ni6  1  0.648  0.888  0.860  1.0
  Ni  Ni7  1  0.148  0.112  0.140  1.0
[/CIF]
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