The crystal structure described by NdNi9Si2 crystallizes in the tetragonal I4_1/amd space group. Nd(1) is bonded in a 18-coordinate geometry to two equivalent Ni(1) and sixteen equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 14-coordinate geometry to two equivalent Nd(1), eight equivalent Ni(2), and four equivalent Si(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Nd(1), one Ni(1), seven equivalent Ni(2), and two equivalent Si(1) atoms to form a mixture of distorted edge, face, and corner-sharing NiNd2Si2Ni8 cuboctahedra. Si(1) is bonded in a 10-coordinate geometry to two equivalent Ni(1) and eight equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdSi2Ni9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.536
_cell_length_b   7.536
_cell_length_c   7.535
_cell_angle_alpha   99.565
_cell_angle_beta   99.565
_cell_angle_gamma   131.880
_symmetry_Int_Tables_number   1
_cell_volume   290.896
_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
  Nd  Nd0  1  0.500  0.500  1.000  1.0
  Nd  Nd1  1  0.750  0.250  0.500  1.0
  Si  Si2  1  0.625  0.875  0.750  1.0
  Si  Si3  1  0.125  0.375  0.250  1.0
  Si  Si4  1  0.125  0.875  0.750  1.0
  Si  Si5  1  0.125  0.875  0.250  1.0
  Ni  Ni6  1  0.250  0.750  0.500  1.0
  Ni  Ni7  1  0.000  1.000  0.000  1.0
  Ni  Ni8  1  0.688  0.017  0.079  1.0
  Ni  Ni9  1  0.688  0.610  0.672  1.0
  Ni  Ni10  1  0.267  0.438  0.579  1.0
  Ni  Ni11  1  0.267  0.688  0.828  1.0
  Ni  Ni12  1  0.938  0.017  0.328  1.0
  Ni  Ni13  1  0.938  0.610  0.922  1.0
  Ni  Ni14  1  0.860  0.438  0.172  1.0
  Ni  Ni15  1  0.860  0.688  0.422  1.0
  Ni  Ni16  1  0.562  0.733  0.421  1.0
  Ni  Ni17  1  0.562  0.140  0.828  1.0
  Ni  Ni18  1  0.983  0.312  0.921  1.0
  Ni  Ni19  1  0.983  0.062  0.672  1.0
  Ni  Ni20  1  0.312  0.733  0.172  1.0
  Ni  Ni21  1  0.312  0.140  0.578  1.0
  Ni  Ni22  1  0.390  0.312  0.328  1.0
  Ni  Ni23  1  0.390  0.062  0.078  1.0
[/CIF]
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The crystal structure described by NdNi9Si2 crystallizes in the tetragonal I4_1/amd space group. Nd(1) is bonded in a 18-coordinate geometry to two equivalent Ni(1) and sixteen equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 14-coordinate geometry to two equivalent Nd(1), eight equivalent Ni(2), and four equivalent Si(1) atoms. In the second Ni site, Ni(2) is bonded to two equivalent Nd(1), one Ni(1), seven equivalent Ni(2), and two equivalent Si(1) atoms to form a mixture of distorted edge, face, and corner-sharing NiNd2Si2Ni8 cuboctahedra. Si(1) is bonded in a 10-coordinate geometry to two equivalent Ni(1) and eight equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdSi2Ni9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.536
_cell_length_b   7.536
_cell_length_c   7.535
_cell_angle_alpha   99.565
_cell_angle_beta   99.565
_cell_angle_gamma   131.880
_symmetry_Int_Tables_number   1
_cell_volume   290.896
_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
  Nd  Nd0  1  0.500  0.500  1.000  1.0
  Nd  Nd1  1  0.750  0.250  0.500  1.0
  Si  Si2  1  0.625  0.875  0.750  1.0
  Si  Si3  1  0.125  0.375  0.250  1.0
  Si  Si4  1  0.125  0.875  0.750  1.0
  Si  Si5  1  0.125  0.875  0.250  1.0
  Ni  Ni6  1  0.250  0.750  0.500  1.0
  Ni  Ni7  1  0.000  1.000  0.000  1.0
  Ni  Ni8  1  0.688  0.017  0.079  1.0
  Ni  Ni9  1  0.688  0.610  0.672  1.0
  Ni  Ni10  1  0.267  0.438  0.579  1.0
  Ni  Ni11  1  0.267  0.688  0.828  1.0
  Ni  Ni12  1  0.938  0.017  0.328  1.0
  Ni  Ni13  1  0.938  0.610  0.922  1.0
  Ni  Ni14  1  0.860  0.438  0.172  1.0
  Ni  Ni15  1  0.860  0.688  0.422  1.0
  Ni  Ni16  1  0.562  0.733  0.421  1.0
  Ni  Ni17  1  0.562  0.140  0.828  1.0
  Ni  Ni18  1  0.983  0.312  0.921  1.0
  Ni  Ni19  1  0.983  0.062  0.672  1.0
  Ni  Ni20  1  0.312  0.733  0.172  1.0
  Ni  Ni21  1  0.312  0.140  0.578  1.0
  Ni  Ni22  1  0.390  0.312  0.328  1.0
  Ni  Ni23  1  0.390  0.062  0.078  1.0
[/CIF]
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