The material described by Nd12Co6Pb crystallizes in the orthorhombic Immm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Co(1), and one Pb(1) atom. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one Co(3), two equivalent Co(2), and one Pb(1) atom. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Co(3), and one Pb(1) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to two equivalent Nd(3), four equivalent Nd(1), and one Co(1) atom. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), and one Co(2) atom. In the third Co site, Co(3) is bonded in a 7-coordinate geometry to two equivalent Nd(2), four equivalent Nd(3), and one Co(3) atom. Pb(1) is bonded in a cuboctahedral geometry to four equivalent Nd(1), four equivalent Nd(2), and four equivalent Nd(3) atoms. is represented by the CIF file [CIF]
data_Nd12Co6Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.697
_cell_length_b   8.697
_cell_length_c   8.697
_cell_angle_alpha   109.267
_cell_angle_beta   109.492
_cell_angle_gamma   109.654
_symmetry_Int_Tables_number   1
_cell_volume   506.458
_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  0.808  0.693  0.501  1.0
  Nd  Nd1  1  0.192  0.307  0.499  1.0
  Nd  Nd2  1  0.192  0.693  0.885  1.0
  Nd  Nd3  1  0.808  0.307  0.115  1.0
  Nd  Nd4  1  0.693  0.499  0.807  1.0
  Nd  Nd5  1  0.307  0.501  0.193  1.0
  Nd  Nd6  1  0.693  0.886  0.193  1.0
  Nd  Nd7  1  0.307  0.114  0.807  1.0
  Nd  Nd8  1  0.502  0.808  0.694  1.0
  Nd  Nd9  1  0.498  0.192  0.306  1.0
  Nd  Nd10  1  0.114  0.808  0.306  1.0
  Nd  Nd11  1  0.886  0.192  0.694  1.0
  Co  Co12  1  0.891  0.391  0.500  1.0
  Co  Co13  1  0.109  0.609  0.500  1.0
  Co  Co14  1  0.391  0.500  0.891  1.0
  Co  Co15  1  0.609  0.500  0.109  1.0
  Co  Co16  1  0.500  0.891  0.391  1.0
  Co  Co17  1  0.500  0.109  0.609  1.0
  Pb  Pb18  1  1.000  1.000  1.000  1.0
[/CIF]
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The material described by Nd12Co6Pb crystallizes in the orthorhombic Immm space group. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 4-coordinate geometry to one Co(2), two equivalent Co(1), and one Pb(1) atom. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to one Co(3), two equivalent Co(2), and one Pb(1) atom. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to one Co(1), two equivalent Co(3), and one Pb(1) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 7-coordinate geometry to two equivalent Nd(3), four equivalent Nd(1), and one Co(1) atom. In the second Co site, Co(2) is bonded in a 7-coordinate geometry to two equivalent Nd(1), four equivalent Nd(2), and one Co(2) atom. In the third Co site, Co(3) is bonded in a 7-coordinate geometry to two equivalent Nd(2), four equivalent Nd(3), and one Co(3) atom. Pb(1) is bonded in a cuboctahedral geometry to four equivalent Nd(1), four equivalent Nd(2), and four equivalent Nd(3) atoms. is represented by the CIF file [CIF]
data_Nd12Co6Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.697
_cell_length_b   8.697
_cell_length_c   8.697
_cell_angle_alpha   109.267
_cell_angle_beta   109.492
_cell_angle_gamma   109.654
_symmetry_Int_Tables_number   1
_cell_volume   506.458
_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  0.808  0.693  0.501  1.0
  Nd  Nd1  1  0.192  0.307  0.499  1.0
  Nd  Nd2  1  0.192  0.693  0.885  1.0
  Nd  Nd3  1  0.808  0.307  0.115  1.0
  Nd  Nd4  1  0.693  0.499  0.807  1.0
  Nd  Nd5  1  0.307  0.501  0.193  1.0
  Nd  Nd6  1  0.693  0.886  0.193  1.0
  Nd  Nd7  1  0.307  0.114  0.807  1.0
  Nd  Nd8  1  0.502  0.808  0.694  1.0
  Nd  Nd9  1  0.498  0.192  0.306  1.0
  Nd  Nd10  1  0.114  0.808  0.306  1.0
  Nd  Nd11  1  0.886  0.192  0.694  1.0
  Co  Co12  1  0.891  0.391  0.500  1.0
  Co  Co13  1  0.109  0.609  0.500  1.0
  Co  Co14  1  0.391  0.500  0.891  1.0
  Co  Co15  1  0.609  0.500  0.109  1.0
  Co  Co16  1  0.500  0.891  0.391  1.0
  Co  Co17  1  0.500  0.109  0.609  1.0
  Pb  Pb18  1  1.000  1.000  1.000  1.0
[/CIF]
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