The structure described by Ni2SiAs is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbca space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to two equivalent Si(1) and four equivalent As(1) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to four equivalent Si(1) and two equivalent As(1) atoms. Si(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), one Si(1), and one As(1) atom. As(1) is bonded in a 7-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_SiNi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   6.009
_cell_length_c   13.888
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.639
_cell_formula_units_Z   8
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
  Si  Si0  1  0.820  0.933  0.057  1.0
  Si  Si1  1  0.820  0.433  0.443  1.0
  Si  Si2  1  0.320  0.567  0.057  1.0
  Si  Si3  1  0.680  0.933  0.557  1.0
  Si  Si4  1  0.180  0.067  0.943  1.0
  Si  Si5  1  0.180  0.567  0.557  1.0
  Si  Si6  1  0.680  0.433  0.943  1.0
  Si  Si7  1  0.320  0.067  0.443  1.0
  Ni  Ni8  1  0.016  0.695  0.166  1.0
  Ni  Ni9  1  0.484  0.195  0.834  1.0
  Ni  Ni10  1  0.516  0.305  0.334  1.0
  Ni  Ni11  1  0.990  0.807  0.444  1.0
  Ni  Ni12  1  0.016  0.195  0.334  1.0
  Ni  Ni13  1  0.516  0.805  0.166  1.0
  Ni  Ni14  1  0.484  0.695  0.666  1.0
  Ni  Ni15  1  0.984  0.305  0.834  1.0
  Ni  Ni16  1  0.010  0.193  0.556  1.0
  Ni  Ni17  1  0.990  0.307  0.056  1.0
  Ni  Ni18  1  0.490  0.693  0.444  1.0
  Ni  Ni19  1  0.510  0.807  0.944  1.0
  Ni  Ni20  1  0.490  0.193  0.056  1.0
  Ni  Ni21  1  0.010  0.693  0.944  1.0
  Ni  Ni22  1  0.510  0.307  0.556  1.0
  Ni  Ni23  1  0.984  0.805  0.666  1.0
  As  As24  1  0.684  0.930  0.317  1.0
  As  As25  1  0.184  0.070  0.183  1.0
  As  As26  1  0.816  0.430  0.683  1.0
  As  As27  1  0.316  0.570  0.817  1.0
  As  As28  1  0.316  0.070  0.683  1.0
  As  As29  1  0.816  0.930  0.817  1.0
  As  As30  1  0.184  0.570  0.317  1.0
  As  As31  1  0.684  0.430  0.183  1.0
[/CIF]
.
The structure described by Ni2SiAs is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbca space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to two equivalent Si(1) and four equivalent As(1) atoms. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to four equivalent Si(1) and two equivalent As(1) atoms. Si(1) is bonded in a 8-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), one Si(1), and one As(1) atom. As(1) is bonded in a 7-coordinate geometry to two equivalent Ni(2), four equivalent Ni(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_SiNi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.136
_cell_length_b   6.009
_cell_length_c   13.888
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.639
_cell_formula_units_Z   8
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
  Si  Si0  1  0.820  0.933  0.057  1.0
  Si  Si1  1  0.820  0.433  0.443  1.0
  Si  Si2  1  0.320  0.567  0.057  1.0
  Si  Si3  1  0.680  0.933  0.557  1.0
  Si  Si4  1  0.180  0.067  0.943  1.0
  Si  Si5  1  0.180  0.567  0.557  1.0
  Si  Si6  1  0.680  0.433  0.943  1.0
  Si  Si7  1  0.320  0.067  0.443  1.0
  Ni  Ni8  1  0.016  0.695  0.166  1.0
  Ni  Ni9  1  0.484  0.195  0.834  1.0
  Ni  Ni10  1  0.516  0.305  0.334  1.0
  Ni  Ni11  1  0.990  0.807  0.444  1.0
  Ni  Ni12  1  0.016  0.195  0.334  1.0
  Ni  Ni13  1  0.516  0.805  0.166  1.0
  Ni  Ni14  1  0.484  0.695  0.666  1.0
  Ni  Ni15  1  0.984  0.305  0.834  1.0
  Ni  Ni16  1  0.010  0.193  0.556  1.0
  Ni  Ni17  1  0.990  0.307  0.056  1.0
  Ni  Ni18  1  0.490  0.693  0.444  1.0
  Ni  Ni19  1  0.510  0.807  0.944  1.0
  Ni  Ni20  1  0.490  0.193  0.056  1.0
  Ni  Ni21  1  0.010  0.693  0.944  1.0
  Ni  Ni22  1  0.510  0.307  0.556  1.0
  Ni  Ni23  1  0.984  0.805  0.666  1.0
  As  As24  1  0.684  0.930  0.317  1.0
  As  As25  1  0.184  0.070  0.183  1.0
  As  As26  1  0.816  0.430  0.683  1.0
  As  As27  1  0.316  0.570  0.817  1.0
  As  As28  1  0.316  0.070  0.683  1.0
  As  As29  1  0.816  0.930  0.817  1.0
  As  As30  1  0.184  0.570  0.317  1.0
  As  As31  1  0.684  0.430  0.183  1.0
[/CIF]
.