The crystal structure described by Nd11Pd4In9 crystallizes in the orthorhombic Cmmm space group. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to four equivalent Pd(1), one In(3), and four equivalent In(1) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent Pd(1), two equivalent In(1), and four equivalent In(2) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to four equivalent Pd(1), one In(3), and four equivalent In(2) atoms. In the fourth Nd site, Nd(4) is bonded in a distorted body-centered cubic geometry to four equivalent In(1) and four equivalent In(2) atoms. In the fifth Nd site, Nd(5) is bonded in a distorted body-centered cubic geometry to eight equivalent In(1) atoms. Pd(1) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(3), one In(1), and one In(2) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(4), two equivalent Nd(5), one Pd(1), and one In(1) atom. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Nd(3), two equivalent Nd(4), four equivalent Nd(2), one Pd(1), and one In(2) atom. In the third In site, In(3) is bonded in a square co-planar geometry to two equivalent Nd(1) and two equivalent Nd(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd11In9Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.766
_cell_length_b   13.766
_cell_length_c   3.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.740
_symmetry_Int_Tables_number   1
_cell_volume   657.410
_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  0.294  0.294  0.000  1.0
  Nd  Nd1  1  0.414  0.072  0.000  1.0
  Nd  Nd2  1  0.363  0.637  0.000  1.0
  Nd  Nd3  1  0.161  0.839  0.000  1.0
  Nd  Nd4  1  0.637  0.363  0.000  1.0
  Nd  Nd5  1  0.706  0.706  0.000  1.0
  Nd  Nd6  1  0.839  0.161  0.000  1.0
  Nd  Nd7  1  0.000  0.000  0.000  1.0
  Nd  Nd8  1  0.072  0.414  0.000  1.0
  Nd  Nd9  1  0.586  0.928  0.000  1.0
  Nd  Nd10  1  0.928  0.586  0.000  1.0
  In  In11  1  0.785  0.928  0.500  1.0
  In  In12  1  0.157  0.634  0.500  1.0
  In  In13  1  0.928  0.785  0.500  1.0
  In  In14  1  0.634  0.157  0.500  1.0
  In  In15  1  0.072  0.215  0.500  1.0
  In  In16  1  0.366  0.843  0.500  1.0
  In  In17  1  0.500  0.500  0.000  1.0
  In  In18  1  0.215  0.072  0.500  1.0
  In  In19  1  0.843  0.366  0.500  1.0
  Pd  Pd20  1  0.553  0.757  0.500  1.0
  Pd  Pd21  1  0.447  0.243  0.500  1.0
  Pd  Pd22  1  0.757  0.553  0.500  1.0
  Pd  Pd23  1  0.243  0.447  0.500  1.0
[/CIF]
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The crystal structure described by Nd11Pd4In9 crystallizes in the orthorhombic Cmmm space group. There are five inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to four equivalent Pd(1), one In(3), and four equivalent In(1) atoms. In the second Nd site, Nd(2) is bonded in a 8-coordinate geometry to two equivalent Pd(1), two equivalent In(1), and four equivalent In(2) atoms. In the third Nd site, Nd(3) is bonded in a 9-coordinate geometry to four equivalent Pd(1), one In(3), and four equivalent In(2) atoms. In the fourth Nd site, Nd(4) is bonded in a distorted body-centered cubic geometry to four equivalent In(1) and four equivalent In(2) atoms. In the fifth Nd site, Nd(5) is bonded in a distorted body-centered cubic geometry to eight equivalent In(1) atoms. Pd(1) is bonded in a 8-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(3), one In(1), and one In(2) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 10-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), two equivalent Nd(4), two equivalent Nd(5), one Pd(1), and one In(1) atom. In the second In site, In(2) is bonded in a 10-coordinate geometry to two equivalent Nd(3), two equivalent Nd(4), four equivalent Nd(2), one Pd(1), and one In(2) atom. In the third In site, In(3) is bonded in a square co-planar geometry to two equivalent Nd(1) and two equivalent Nd(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd11In9Pd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.766
_cell_length_b   13.766
_cell_length_c   3.762
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.740
_symmetry_Int_Tables_number   1
_cell_volume   657.410
_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  0.294  0.294  0.000  1.0
  Nd  Nd1  1  0.414  0.072  0.000  1.0
  Nd  Nd2  1  0.363  0.637  0.000  1.0
  Nd  Nd3  1  0.161  0.839  0.000  1.0
  Nd  Nd4  1  0.637  0.363  0.000  1.0
  Nd  Nd5  1  0.706  0.706  0.000  1.0
  Nd  Nd6  1  0.839  0.161  0.000  1.0
  Nd  Nd7  1  0.000  0.000  0.000  1.0
  Nd  Nd8  1  0.072  0.414  0.000  1.0
  Nd  Nd9  1  0.586  0.928  0.000  1.0
  Nd  Nd10  1  0.928  0.586  0.000  1.0
  In  In11  1  0.785  0.928  0.500  1.0
  In  In12  1  0.157  0.634  0.500  1.0
  In  In13  1  0.928  0.785  0.500  1.0
  In  In14  1  0.634  0.157  0.500  1.0
  In  In15  1  0.072  0.215  0.500  1.0
  In  In16  1  0.366  0.843  0.500  1.0
  In  In17  1  0.500  0.500  0.000  1.0
  In  In18  1  0.215  0.072  0.500  1.0
  In  In19  1  0.843  0.366  0.500  1.0
  Pd  Pd20  1  0.553  0.757  0.500  1.0
  Pd  Pd21  1  0.447  0.243  0.500  1.0
  Pd  Pd22  1  0.757  0.553  0.500  1.0
  Pd  Pd23  1  0.243  0.447  0.500  1.0
[/CIF]
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