The material structure described by YNiSi3 crystallizes in the orthorhombic Cmmm space group. Y(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Si(1), two equivalent Si(3), and six equivalent Si(2) atoms. Ni(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), one Si(1), and four equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Y(1), one Ni(1), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), one Si(3), and four equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_YSi3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.916
_cell_length_b   3.960
_cell_length_c   10.651
_cell_angle_alpha   90.000
_cell_angle_beta   100.594
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.364
_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
  Y  Y0  1  0.331  0.500  0.662  1.0
  Y  Y1  1  0.669  0.500  0.338  1.0
  Si  Si2  1  0.444  0.000  0.888  1.0
  Si  Si3  1  0.556  0.000  0.112  1.0
  Si  Si4  1  0.218  0.000  0.435  1.0
  Si  Si5  1  0.782  0.000  0.565  1.0
  Si  Si6  1  0.944  0.500  0.888  1.0
  Si  Si7  1  0.056  0.500  0.112  1.0
  Ni  Ni8  1  0.110  0.000  0.220  1.0
  Ni  Ni9  1  0.890  0.000  0.780  1.0
[/CIF]
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The material structure described by YNiSi3 crystallizes in the orthorhombic Cmmm space group. Y(1) is bonded in a 14-coordinate geometry to four equivalent Ni(1), two equivalent Si(1), two equivalent Si(3), and six equivalent Si(2) atoms. Ni(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Si(2), two equivalent Si(1), and two equivalent Si(3) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), one Si(1), and four equivalent Si(3) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to six equivalent Y(1), one Ni(1), and two equivalent Si(2) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Y(1), two equivalent Ni(1), one Si(3), and four equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_YSi3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.916
_cell_length_b   3.960
_cell_length_c   10.651
_cell_angle_alpha   90.000
_cell_angle_beta   100.594
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   162.364
_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
  Y  Y0  1  0.331  0.500  0.662  1.0
  Y  Y1  1  0.669  0.500  0.338  1.0
  Si  Si2  1  0.444  0.000  0.888  1.0
  Si  Si3  1  0.556  0.000  0.112  1.0
  Si  Si4  1  0.218  0.000  0.435  1.0
  Si  Si5  1  0.782  0.000  0.565  1.0
  Si  Si6  1  0.944  0.500  0.888  1.0
  Si  Si7  1  0.056  0.500  0.112  1.0
  Ni  Ni8  1  0.110  0.000  0.220  1.0
  Ni  Ni9  1  0.890  0.000  0.780  1.0
[/CIF]
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