The structure described by Nd6Ni2Si3 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(3), and two equivalent Si(4) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one Ni(2), two equivalent Ni(1), and two equivalent Si(5) atoms. In the third Nd site, Nd(3) is bonded in a 5-coordinate geometry to one Ni(3), two equivalent Ni(1), and two equivalent Si(6) atoms. In the fourth Nd site, Nd(4) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), and one Si(6) atom. In the fifth Nd site, Nd(5) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), and one Si(4) atom. In the sixth Nd site, Nd(6) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(5), and two equivalent Si(3) atoms. In the seventh Nd site, Nd(7) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), two equivalent Si(5), and two equivalent Si(6) atoms. In the eighth Nd site, Nd(8) is bonded in a 7-coordinate geometry to one Ni(2), two equivalent Si(1), two equivalent Si(4), and two equivalent Si(6) atoms. In the ninth Nd site, Nd(9) is bonded in a 7-coordinate geometry to one Ni(3), two equivalent Si(1), two equivalent Si(4), and two equivalent Si(5) atoms. In the tenth Nd site, Nd(10) is bonded in a 7-coordinate geometry to two equivalent Ni(3), one Si(6), two equivalent Si(2), and two equivalent Si(3) atoms. In the eleventh Nd site, Nd(11) is bonded in a 7-coordinate geometry to two equivalent Ni(2), one Si(4), two equivalent Si(2), and two equivalent Si(3) atoms. In the twelfth Nd site, Nd(12) is bonded in a 7-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), one Si(5), and two equivalent Si(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(4), one Nd(5), one Nd(6), and two equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Nd(2), one Nd(8), two equivalent Nd(11), two equivalent Nd(12), two equivalent Nd(4), and one Si(2) atom. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Nd(3), one Nd(9), two equivalent Nd(10), two equivalent Nd(12), two equivalent Nd(5), and one Si(2) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(7), two equivalent Nd(8), two equivalent Nd(9), one Si(4), one Si(5), and one Si(6) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nd(10), two equivalent Nd(11), two equivalent Nd(12), one Ni(2), one Ni(3), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Nd(1), one Nd(7), two equivalent Nd(10), two equivalent Nd(11), two equivalent Nd(6), and one Si(2) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Nd(11), one Nd(5), two equivalent Nd(1), two equivalent Nd(8), two equivalent Nd(9), and one Si(1) atom. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to one Nd(12), one Nd(6), two equivalent Nd(2), two equivalent Nd(7), two equivalent Nd(9), and one Si(1) atom. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to one Nd(10), one Nd(4), two equivalent Nd(3), two equivalent Nd(7), two equivalent Nd(8), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd6Si3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.507
_cell_length_b   11.720
_cell_length_c   11.798
_cell_angle_alpha   60.268
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.127
_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  0.000  0.237  0.774  1.0
  Nd  Nd1  1  0.000  0.768  0.998  1.0
  Nd  Nd2  1  0.000  0.996  0.235  1.0
  Nd  Nd3  1  0.500  0.762  0.230  1.0
  Nd  Nd4  1  0.500  0.232  0.009  1.0
  Nd  Nd5  1  0.500  0.010  0.765  1.0
  Nd  Nd6  1  0.000  0.859  0.625  1.0
  Nd  Nd7  1  0.000  0.622  0.514  1.0
  Nd  Nd8  1  0.000  0.515  0.862  1.0
  Nd  Nd9  1  0.500  0.136  0.381  1.0
  Nd  Nd10  1  0.500  0.381  0.481  1.0
  Nd  Nd11  1  0.500  0.476  0.138  1.0
  Si  Si12  1  0.500  0.666  0.666  1.0
  Si  Si13  1  0.000  0.337  0.328  1.0
  Si  Si14  1  0.000  0.152  0.560  1.0
  Si  Si15  1  0.500  0.441  0.711  1.0
  Si  Si16  1  0.500  0.714  0.845  1.0
  Si  Si17  1  0.500  0.847  0.442  1.0
  Ni  Ni18  1  0.749  1.000  0.002  1.0
  Ni  Ni19  1  0.251  1.000  0.002  1.0
  Ni  Ni20  1  0.000  0.562  0.282  1.0
  Ni  Ni21  1  0.000  0.289  0.149  1.0
[/CIF]
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The structure described by Nd6Ni2Si3 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(3), and two equivalent Si(4) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one Ni(2), two equivalent Ni(1), and two equivalent Si(5) atoms. In the third Nd site, Nd(3) is bonded in a 5-coordinate geometry to one Ni(3), two equivalent Ni(1), and two equivalent Si(6) atoms. In the fourth Nd site, Nd(4) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), and one Si(6) atom. In the fifth Nd site, Nd(5) is bonded in a 5-coordinate geometry to two equivalent Ni(1), two equivalent Ni(3), and one Si(4) atom. In the sixth Nd site, Nd(6) is bonded in a 5-coordinate geometry to two equivalent Ni(1), one Si(5), and two equivalent Si(3) atoms. In the seventh Nd site, Nd(7) is bonded in a 7-coordinate geometry to one Si(3), two equivalent Si(1), two equivalent Si(5), and two equivalent Si(6) atoms. In the eighth Nd site, Nd(8) is bonded in a 7-coordinate geometry to one Ni(2), two equivalent Si(1), two equivalent Si(4), and two equivalent Si(6) atoms. In the ninth Nd site, Nd(9) is bonded in a 7-coordinate geometry to one Ni(3), two equivalent Si(1), two equivalent Si(4), and two equivalent Si(5) atoms. In the tenth Nd site, Nd(10) is bonded in a 7-coordinate geometry to two equivalent Ni(3), one Si(6), two equivalent Si(2), and two equivalent Si(3) atoms. In the eleventh Nd site, Nd(11) is bonded in a 7-coordinate geometry to two equivalent Ni(2), one Si(4), two equivalent Si(2), and two equivalent Si(3) atoms. In the twelfth Nd site, Nd(12) is bonded in a 7-coordinate geometry to two equivalent Ni(2), two equivalent Ni(3), one Si(5), and two equivalent Si(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(4), one Nd(5), one Nd(6), and two equivalent Ni(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Nd(2), one Nd(8), two equivalent Nd(11), two equivalent Nd(12), two equivalent Nd(4), and one Si(2) atom. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to one Nd(3), one Nd(9), two equivalent Nd(10), two equivalent Nd(12), two equivalent Nd(5), and one Si(2) atom. There are six inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to two equivalent Nd(7), two equivalent Nd(8), two equivalent Nd(9), one Si(4), one Si(5), and one Si(6) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nd(10), two equivalent Nd(11), two equivalent Nd(12), one Ni(2), one Ni(3), and one Si(3) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Nd(1), one Nd(7), two equivalent Nd(10), two equivalent Nd(11), two equivalent Nd(6), and one Si(2) atom. In the fourth Si site, Si(4) is bonded in a 9-coordinate geometry to one Nd(11), one Nd(5), two equivalent Nd(1), two equivalent Nd(8), two equivalent Nd(9), and one Si(1) atom. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to one Nd(12), one Nd(6), two equivalent Nd(2), two equivalent Nd(7), two equivalent Nd(9), and one Si(1) atom. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to one Nd(10), one Nd(4), two equivalent Nd(3), two equivalent Nd(7), two equivalent Nd(8), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd6Si3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.507
_cell_length_b   11.720
_cell_length_c   11.798
_cell_angle_alpha   60.268
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.127
_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  0.000  0.237  0.774  1.0
  Nd  Nd1  1  0.000  0.768  0.998  1.0
  Nd  Nd2  1  0.000  0.996  0.235  1.0
  Nd  Nd3  1  0.500  0.762  0.230  1.0
  Nd  Nd4  1  0.500  0.232  0.009  1.0
  Nd  Nd5  1  0.500  0.010  0.765  1.0
  Nd  Nd6  1  0.000  0.859  0.625  1.0
  Nd  Nd7  1  0.000  0.622  0.514  1.0
  Nd  Nd8  1  0.000  0.515  0.862  1.0
  Nd  Nd9  1  0.500  0.136  0.381  1.0
  Nd  Nd10  1  0.500  0.381  0.481  1.0
  Nd  Nd11  1  0.500  0.476  0.138  1.0
  Si  Si12  1  0.500  0.666  0.666  1.0
  Si  Si13  1  0.000  0.337  0.328  1.0
  Si  Si14  1  0.000  0.152  0.560  1.0
  Si  Si15  1  0.500  0.441  0.711  1.0
  Si  Si16  1  0.500  0.714  0.845  1.0
  Si  Si17  1  0.500  0.847  0.442  1.0
  Ni  Ni18  1  0.749  1.000  0.002  1.0
  Ni  Ni19  1  0.251  1.000  0.002  1.0
  Ni  Ni20  1  0.000  0.562  0.282  1.0
  Ni  Ni21  1  0.000  0.289  0.149  1.0
[/CIF]
.