The compound described by Nd5Ce5Si6 crystallizes in the monoclinic Cm space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted trigonal bipyramidal geometry to one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one Si(1), one Si(2), one Si(3), and two equivalent Si(4) atoms. In the third Nd site, Nd(3) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the fourth Nd site, Nd(4) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 5-coordinate geometry to one Si(2), one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one Si(1), one Si(2), one Si(3), and two equivalent Si(4) atoms. In the third Ce site, Ce(3) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(4), one Ce(2), one Ce(3), two equivalent Ce(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Nd(4), two equivalent Nd(2), one Ce(3), two equivalent Ce(1), two equivalent Ce(2), 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(3), two equivalent Nd(2), two equivalent Ce(1), two equivalent Ce(2), and one Si(2) atom. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), two equivalent Nd(2), one Ce(3), two equivalent Ce(1), and two equivalent Ce(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce5Nd5Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.735
_cell_length_b   7.735
_cell_length_c   8.773
_cell_angle_alpha   64.139
_cell_angle_beta   64.139
_cell_angle_gamma   90.192
_symmetry_Int_Tables_number   1
_cell_volume   412.679
_cell_formula_units_Z   1
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
  Ce  Ce0  1  0.489  0.482  0.027  1.0
  Ce  Ce1  1  0.982  0.989  0.027  1.0
  Ce  Ce2  1  0.678  0.536  0.286  1.0
  Ce  Ce3  1  0.036  0.178  0.286  1.0
  Ce  Ce4  1  0.538  0.038  0.286  1.0
  Nd  Nd5  1  0.180  0.680  0.292  1.0
  Nd  Nd6  1  0.328  0.467  0.706  1.0
  Nd  Nd7  1  0.967  0.828  0.706  1.0
  Nd  Nd8  1  0.468  0.968  0.703  1.0
  Nd  Nd9  1  0.822  0.322  0.710  1.0
  Si  Si10  1  0.615  0.886  0.997  1.0
  Si  Si11  1  0.386  0.115  0.997  1.0
  Si  Si12  1  0.888  0.388  0.998  1.0
  Si  Si13  1  0.116  0.616  0.998  1.0
  Si  Si14  1  0.254  0.253  0.492  1.0
  Si  Si15  1  0.753  0.754  0.492  1.0
[/CIF]
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The compound described by Nd5Ce5Si6 crystallizes in the monoclinic Cm space group. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a distorted trigonal bipyramidal geometry to one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one Si(1), one Si(2), one Si(3), and two equivalent Si(4) atoms. In the third Nd site, Nd(3) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the fourth Nd site, Nd(4) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 5-coordinate geometry to one Si(2), one Si(3), two equivalent Si(1), and two equivalent Si(4) atoms. In the second Ce site, Ce(2) is bonded in a 5-coordinate geometry to one Si(1), one Si(2), one Si(3), and two equivalent Si(4) atoms. In the third Ce site, Ce(3) is bonded in a 5-coordinate geometry to one Si(2), two equivalent Si(1), and two equivalent Si(4) atoms. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Nd(1), one Nd(2), one Nd(3), one Nd(4), one Ce(2), one Ce(3), two equivalent Ce(1), and one Si(1) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Nd(4), two equivalent Nd(2), one Ce(3), two equivalent Ce(1), two equivalent Ce(2), 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(3), two equivalent Nd(2), two equivalent Ce(1), two equivalent Ce(2), and one Si(2) atom. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Nd(1), one Nd(3), one Nd(4), two equivalent Nd(2), one Ce(3), two equivalent Ce(1), and two equivalent Ce(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce5Nd5Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.735
_cell_length_b   7.735
_cell_length_c   8.773
_cell_angle_alpha   64.139
_cell_angle_beta   64.139
_cell_angle_gamma   90.192
_symmetry_Int_Tables_number   1
_cell_volume   412.679
_cell_formula_units_Z   1
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
  Ce  Ce0  1  0.489  0.482  0.027  1.0
  Ce  Ce1  1  0.982  0.989  0.027  1.0
  Ce  Ce2  1  0.678  0.536  0.286  1.0
  Ce  Ce3  1  0.036  0.178  0.286  1.0
  Ce  Ce4  1  0.538  0.038  0.286  1.0
  Nd  Nd5  1  0.180  0.680  0.292  1.0
  Nd  Nd6  1  0.328  0.467  0.706  1.0
  Nd  Nd7  1  0.967  0.828  0.706  1.0
  Nd  Nd8  1  0.468  0.968  0.703  1.0
  Nd  Nd9  1  0.822  0.322  0.710  1.0
  Si  Si10  1  0.615  0.886  0.997  1.0
  Si  Si11  1  0.386  0.115  0.997  1.0
  Si  Si12  1  0.888  0.388  0.998  1.0
  Si  Si13  1  0.116  0.616  0.998  1.0
  Si  Si14  1  0.254  0.253  0.492  1.0
  Si  Si15  1  0.753  0.754  0.492  1.0
[/CIF]
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