The material described by Nd6Cd5Si7 crystallizes in the monoclinic Cm space group. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one Cd(1), two equivalent Cd(3), two equivalent Si(1), two equivalent Si(5), and three equivalent Si(4) atoms. In the second Nd site, Nd(2) is bonded in a 11-coordinate geometry to one Cd(2), two equivalent Cd(1), three equivalent Cd(4), two equivalent Si(6), and three equivalent Si(2) atoms. In the third Nd site, Nd(3) is bonded in a 11-coordinate geometry to one Cd(3), two equivalent Cd(2), three equivalent Cd(5), two equivalent Si(7), and three equivalent Si(3) atoms. In the fourth Nd site, Nd(4) is bonded in a 12-coordinate geometry to one Cd(5), three equivalent Cd(3), one Si(4), two equivalent Si(1), two equivalent Si(3), and three equivalent Si(7) atoms. In the fifth Nd site, Nd(5) is bonded in a 10-coordinate geometry to two equivalent Cd(4), three equivalent Cd(1), one Si(1), two equivalent Si(4), and three equivalent Si(5) atoms. In the sixth Nd site, Nd(6) is bonded in a 11-coordinate geometry to one Cd(4), two equivalent Cd(5), three equivalent Cd(2), two equivalent Si(2), and three equivalent Si(6) atoms. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 12-coordinate geometry to one Nd(1), two equivalent Nd(2), three equivalent Nd(5), three equivalent Cd(4), one Si(2), and two equivalent Si(5) atoms. In the second Cd site, Cd(2) is bonded in a 12-coordinate geometry to one Nd(2), two equivalent Nd(3), three equivalent Nd(6), three equivalent Cd(5), one Si(3), and two equivalent Si(6) atoms. In the third Cd site, Cd(3) is bonded in a 10-coordinate geometry to one Nd(3), two equivalent Nd(1), three equivalent Nd(4), one Si(1), one Si(4), and two equivalent Si(7) atoms. In the fourth Cd site, Cd(4) is bonded in a 3-coordinate geometry to one Nd(6), two equivalent Nd(5), three equivalent Nd(2), three equivalent Cd(1), one Si(5), and two equivalent Si(2) atoms. In the fifth Cd site, Cd(5) is bonded in a 7-coordinate geometry to one Nd(4), two equivalent Nd(6), three equivalent Nd(3), three equivalent Cd(2), one Si(6), and two equivalent Si(3) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Nd(5), two equivalent Nd(1), two equivalent Nd(4), one Cd(3), and two equivalent Si(4) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nd(6), three equivalent Nd(2), one Cd(1), two equivalent Cd(4), and one Si(6) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Nd(4), three equivalent Nd(3), one Cd(2), two equivalent Cd(5), and one Si(7) atom. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Nd(4), two equivalent Nd(5), three equivalent Nd(1), one Cd(3), one Si(5), and two equivalent Si(1) atoms. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to two equivalent Nd(1), three equivalent Nd(5), one Cd(4), two equivalent Cd(1), and one Si(4) atom. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to two equivalent Nd(2), three equivalent Nd(6), one Cd(5), two equivalent Cd(2), and one Si(2) atom. In the seventh Si site, Si(7) is bonded in a 8-coordinate geometry to two equivalent Nd(3), three equivalent Nd(4), two equivalent Cd(3), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd6Cd5Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.319
_cell_length_b   5.896
_cell_length_c   17.587
_cell_angle_alpha   98.669
_cell_angle_beta   90.000
_cell_angle_gamma   111.486
_symmetry_Int_Tables_number   1
_cell_volume   411.193
_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
  Nd  Nd0  1  0.617  0.233  0.937  1.0
  Nd  Nd1  1  0.291  0.582  0.273  1.0
  Nd  Nd2  1  0.976  0.952  0.610  1.0
  Nd  Nd3  1  0.730  0.460  0.738  1.0
  Nd  Nd4  1  0.363  0.727  0.050  1.0
  Nd  Nd5  1  0.037  0.074  0.393  1.0
  Cd  Cd6  1  0.685  0.370  0.137  1.0
  Cd  Cd7  1  0.355  0.711  0.473  1.0
  Cd  Cd8  1  0.033  0.066  0.802  1.0
  Cd  Cd9  1  0.973  0.947  0.192  1.0
  Cd  Cd10  1  0.656  0.312  0.532  1.0
  Si  Si11  1  0.284  0.568  0.874  1.0
  Si  Si12  1  0.578  0.156  0.277  1.0
  Si  Si13  1  0.261  0.523  0.617  1.0
  Si  Si14  1  0.892  0.785  0.925  1.0
  Si  Si15  1  0.077  0.154  0.056  1.0
  Si  Si16  1  0.750  0.500  0.389  1.0
  Si  Si17  1  0.441  0.882  0.723  1.0
[/CIF]
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The material described by Nd6Cd5Si7 crystallizes in the monoclinic Cm space group. There are six inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one Cd(1), two equivalent Cd(3), two equivalent Si(1), two equivalent Si(5), and three equivalent Si(4) atoms. In the second Nd site, Nd(2) is bonded in a 11-coordinate geometry to one Cd(2), two equivalent Cd(1), three equivalent Cd(4), two equivalent Si(6), and three equivalent Si(2) atoms. In the third Nd site, Nd(3) is bonded in a 11-coordinate geometry to one Cd(3), two equivalent Cd(2), three equivalent Cd(5), two equivalent Si(7), and three equivalent Si(3) atoms. In the fourth Nd site, Nd(4) is bonded in a 12-coordinate geometry to one Cd(5), three equivalent Cd(3), one Si(4), two equivalent Si(1), two equivalent Si(3), and three equivalent Si(7) atoms. In the fifth Nd site, Nd(5) is bonded in a 10-coordinate geometry to two equivalent Cd(4), three equivalent Cd(1), one Si(1), two equivalent Si(4), and three equivalent Si(5) atoms. In the sixth Nd site, Nd(6) is bonded in a 11-coordinate geometry to one Cd(4), two equivalent Cd(5), three equivalent Cd(2), two equivalent Si(2), and three equivalent Si(6) atoms. There are five inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 12-coordinate geometry to one Nd(1), two equivalent Nd(2), three equivalent Nd(5), three equivalent Cd(4), one Si(2), and two equivalent Si(5) atoms. In the second Cd site, Cd(2) is bonded in a 12-coordinate geometry to one Nd(2), two equivalent Nd(3), three equivalent Nd(6), three equivalent Cd(5), one Si(3), and two equivalent Si(6) atoms. In the third Cd site, Cd(3) is bonded in a 10-coordinate geometry to one Nd(3), two equivalent Nd(1), three equivalent Nd(4), one Si(1), one Si(4), and two equivalent Si(7) atoms. In the fourth Cd site, Cd(4) is bonded in a 3-coordinate geometry to one Nd(6), two equivalent Nd(5), three equivalent Nd(2), three equivalent Cd(1), one Si(5), and two equivalent Si(2) atoms. In the fifth Cd site, Cd(5) is bonded in a 7-coordinate geometry to one Nd(4), two equivalent Nd(6), three equivalent Nd(3), three equivalent Cd(2), one Si(6), and two equivalent Si(3) atoms. There are seven inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to one Nd(5), two equivalent Nd(1), two equivalent Nd(4), one Cd(3), and two equivalent Si(4) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Nd(6), three equivalent Nd(2), one Cd(1), two equivalent Cd(4), and one Si(6) atom. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to two equivalent Nd(4), three equivalent Nd(3), one Cd(2), two equivalent Cd(5), and one Si(7) atom. In the fourth Si site, Si(4) is bonded in a 10-coordinate geometry to one Nd(4), two equivalent Nd(5), three equivalent Nd(1), one Cd(3), one Si(5), and two equivalent Si(1) atoms. In the fifth Si site, Si(5) is bonded in a 9-coordinate geometry to two equivalent Nd(1), three equivalent Nd(5), one Cd(4), two equivalent Cd(1), and one Si(4) atom. In the sixth Si site, Si(6) is bonded in a 9-coordinate geometry to two equivalent Nd(2), three equivalent Nd(6), one Cd(5), two equivalent Cd(2), and one Si(2) atom. In the seventh Si site, Si(7) is bonded in a 8-coordinate geometry to two equivalent Nd(3), three equivalent Nd(4), two equivalent Cd(3), and one Si(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd6Cd5Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.319
_cell_length_b   5.896
_cell_length_c   17.587
_cell_angle_alpha   98.669
_cell_angle_beta   90.000
_cell_angle_gamma   111.486
_symmetry_Int_Tables_number   1
_cell_volume   411.193
_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
  Nd  Nd0  1  0.617  0.233  0.937  1.0
  Nd  Nd1  1  0.291  0.582  0.273  1.0
  Nd  Nd2  1  0.976  0.952  0.610  1.0
  Nd  Nd3  1  0.730  0.460  0.738  1.0
  Nd  Nd4  1  0.363  0.727  0.050  1.0
  Nd  Nd5  1  0.037  0.074  0.393  1.0
  Cd  Cd6  1  0.685  0.370  0.137  1.0
  Cd  Cd7  1  0.355  0.711  0.473  1.0
  Cd  Cd8  1  0.033  0.066  0.802  1.0
  Cd  Cd9  1  0.973  0.947  0.192  1.0
  Cd  Cd10  1  0.656  0.312  0.532  1.0
  Si  Si11  1  0.284  0.568  0.874  1.0
  Si  Si12  1  0.578  0.156  0.277  1.0
  Si  Si13  1  0.261  0.523  0.617  1.0
  Si  Si14  1  0.892  0.785  0.925  1.0
  Si  Si15  1  0.077  0.154  0.056  1.0
  Si  Si16  1  0.750  0.500  0.389  1.0
  Si  Si17  1  0.441  0.882  0.723  1.0
[/CIF]
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