The crystal structure described by NdPb4F11 crystallizes in the monoclinic Cm space group. Nd(1) is bonded in a 11-coordinate geometry to one F(11), one F(6), three equivalent F(10), three equivalent F(8), and three equivalent F(9) atoms. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one F(2), three equivalent F(1), and three equivalent F(11) atoms. In the second Pb site, Pb(2) is bonded in a body-centered cubic geometry to one F(1), one F(5), three equivalent F(2), and three equivalent F(4) atoms. In the third Pb site, Pb(3) is bonded in a body-centered cubic geometry to one F(4), one F(7), three equivalent F(3), and three equivalent F(5) atoms. In the fourth Pb site, Pb(4) is bonded in a body-centered cubic geometry to one F(3), one F(9), three equivalent F(6), and three equivalent F(7) atoms. There are eleven inequivalent F sites. In the first F site, F(1) is bonded to one Pb(2) and three equivalent Pb(1) atoms to form FPb4 tetrahedra that share  a cornercorner with one F(5)Pb4 tetrahedra, corners with three equivalent F(11)NdPb3 tetrahedra, corners with three equivalent F(4)Pb4 tetrahedra, corners with six equivalent F(1)Pb4 tetrahedra, edges with three equivalent F(11)NdPb3 tetrahedra, and edges with three equivalent F(2)Pb4 tetrahedra. In the second F site, F(2) is bonded to one Pb(1) and three equivalent Pb(2) atoms to form FPb4 tetrahedra that share corners with three equivalent F(11)NdPb3 tetrahedra, corners with three equivalent F(4)Pb4 tetrahedra, corners with three equivalent F(5)Pb4 tetrahedra, corners with six equivalent F(2)Pb4 tetrahedra, edges with three equivalent F(1)Pb4 tetrahedra, and edges with three equivalent F(4)Pb4 tetrahedra. In the third F site, F(3) is bonded to one Pb(4) and three equivalent Pb(3) atoms to form FPb4 tetrahedra that share  a cornercorner with one F(9)Nd3Pb tetrahedra, corners with three equivalent F(6)NdPb3 tetrahedra, corners with three equivalent F(4)Pb4 tetrahedra, corners with three equivalent F(5)Pb4 tetrahedra, corners with six equivalent F(3)Pb4 tetrahedra, edges with three equivalent F(5)Pb4 tetrahedra, and edges with three equivalent F(7)Pb4 tetrahedra. In the fourth F site, F(4) is bonded to one Pb(3) and three equivalent Pb(2) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the fifth F site, F(5) is bonded to one Pb(2) and three equivalent Pb(3) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the sixth F site, F(6) is bonded to one Nd(1) and three equivalent Pb(4) atoms to form FNdPb3 tetrahedra that share  a cornercorner with one F(11)NdPb3 tetrahedra, corners with three equivalent F(3)Pb4 tetrahedra, corners with three equivalent F(7)Pb4 tetrahedra, corners with six equivalent F(6)NdPb3 tetrahedra, edges with three equivalent F(9)Nd3Pb tetrahedra, and edges with three equivalent F(7)Pb4 tetrahedra. In the seventh F site, F(7) is bonded to one Pb(3) and three equivalent Pb(4) atoms to form FPb4 tetrahedra that share  a cornercorner with one F(4)Pb4 tetrahedra, corners with three equivalent F(9)Nd3Pb tetrahedra, corners with three equivalent F(6)NdPb3 tetrahedra, corners with three equivalent F(5)Pb4 tetrahedra, corners with six equivalent F(7)Pb4 tetrahedra, edges with three equivalent F(6)NdPb3 tetrahedra, and edges with three equivalent F(3)Pb4 tetrahedra. In the eighth F site, F(8) is bonded in a trigonal planar geometry to three equivalent Nd(1) atoms. In the ninth F site, F(9) is bonded to three equivalent Nd(1) and one Pb(4) atom to form FNd3Pb tetrahedra that share  a cornercorner with one F(3)Pb4 tetrahedra, corners with three equivalent F(11)NdPb3 tetrahedra, corners with three equivalent F(7)Pb4 tetrahedra, corners with six equivalent F(9)Nd3Pb tetrahedra, and edges with three equivalent F(6)NdPb3 tetrahedra. In the tenth F site, F(10) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) atoms. In the eleventh F site, F(11) is bonded to one Nd(1) and three equivalent Pb(1) atoms to form FNdPb3 tetrahedra that share  a cornercorner with one F(6)NdPb3 tetrahedra, corners with three equivalent F(9)Nd3Pb tetrahedra, corners with three equivalent F(1)Pb4 tetrahedra, corners with three equivalent F(2)Pb4 tetrahedra, corners with six equivalent F(11)NdPb3 tetrahedra, and edges with three equivalent F(1)Pb4 tetrahedra. is represented by the CIF file [CIF]
data_NdPb4F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.138
_cell_length_b   4.138
_cell_length_c   17.649
_cell_angle_alpha   83.546
_cell_angle_beta   83.546
_cell_angle_gamma   61.392
_symmetry_Int_Tables_number   1
_cell_volume   263.031
_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  0.606  0.606  0.190  1.0
  Pb  Pb1  1  0.046  0.046  1.000  1.0
  Pb  Pb2  1  0.439  0.439  0.799  1.0
  Pb  Pb3  1  0.818  0.818  0.598  1.0
  Pb  Pb4  1  0.208  0.208  0.394  1.0
  F  F5  1  0.392  0.392  0.945  1.0
  F  F6  1  0.087  0.087  0.854  1.0
  F  F7  1  0.169  0.169  0.548  1.0
  F  F8  1  0.789  0.789  0.748  1.0
  F  F9  1  0.470  0.470  0.650  1.0
  F  F10  1  0.563  0.563  0.332  1.0
  F  F11  1  0.856  0.856  0.444  1.0
  F  F12  1  0.948  0.948  0.187  1.0
  F  F13  1  0.254  0.254  0.257  1.0
  F  F14  1  0.323  0.323  0.118  1.0
  F  F15  1  0.684  0.684  0.051  1.0
[/CIF]
.
The crystal structure described by NdPb4F11 crystallizes in the monoclinic Cm space group. Nd(1) is bonded in a 11-coordinate geometry to one F(11), one F(6), three equivalent F(10), three equivalent F(8), and three equivalent F(9) atoms. There are four inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one F(2), three equivalent F(1), and three equivalent F(11) atoms. In the second Pb site, Pb(2) is bonded in a body-centered cubic geometry to one F(1), one F(5), three equivalent F(2), and three equivalent F(4) atoms. In the third Pb site, Pb(3) is bonded in a body-centered cubic geometry to one F(4), one F(7), three equivalent F(3), and three equivalent F(5) atoms. In the fourth Pb site, Pb(4) is bonded in a body-centered cubic geometry to one F(3), one F(9), three equivalent F(6), and three equivalent F(7) atoms. There are eleven inequivalent F sites. In the first F site, F(1) is bonded to one Pb(2) and three equivalent Pb(1) atoms to form FPb4 tetrahedra that share  a cornercorner with one F(5)Pb4 tetrahedra, corners with three equivalent F(11)NdPb3 tetrahedra, corners with three equivalent F(4)Pb4 tetrahedra, corners with six equivalent F(1)Pb4 tetrahedra, edges with three equivalent F(11)NdPb3 tetrahedra, and edges with three equivalent F(2)Pb4 tetrahedra. In the second F site, F(2) is bonded to one Pb(1) and three equivalent Pb(2) atoms to form FPb4 tetrahedra that share corners with three equivalent F(11)NdPb3 tetrahedra, corners with three equivalent F(4)Pb4 tetrahedra, corners with three equivalent F(5)Pb4 tetrahedra, corners with six equivalent F(2)Pb4 tetrahedra, edges with three equivalent F(1)Pb4 tetrahedra, and edges with three equivalent F(4)Pb4 tetrahedra. In the third F site, F(3) is bonded to one Pb(4) and three equivalent Pb(3) atoms to form FPb4 tetrahedra that share  a cornercorner with one F(9)Nd3Pb tetrahedra, corners with three equivalent F(6)NdPb3 tetrahedra, corners with three equivalent F(4)Pb4 tetrahedra, corners with three equivalent F(5)Pb4 tetrahedra, corners with six equivalent F(3)Pb4 tetrahedra, edges with three equivalent F(5)Pb4 tetrahedra, and edges with three equivalent F(7)Pb4 tetrahedra. In the fourth F site, F(4) is bonded to one Pb(3) and three equivalent Pb(2) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the fifth F site, F(5) is bonded to one Pb(2) and three equivalent Pb(3) atoms to form a mixture of corner and edge-sharing FPb4 tetrahedra. In the sixth F site, F(6) is bonded to one Nd(1) and three equivalent Pb(4) atoms to form FNdPb3 tetrahedra that share  a cornercorner with one F(11)NdPb3 tetrahedra, corners with three equivalent F(3)Pb4 tetrahedra, corners with three equivalent F(7)Pb4 tetrahedra, corners with six equivalent F(6)NdPb3 tetrahedra, edges with three equivalent F(9)Nd3Pb tetrahedra, and edges with three equivalent F(7)Pb4 tetrahedra. In the seventh F site, F(7) is bonded to one Pb(3) and three equivalent Pb(4) atoms to form FPb4 tetrahedra that share  a cornercorner with one F(4)Pb4 tetrahedra, corners with three equivalent F(9)Nd3Pb tetrahedra, corners with three equivalent F(6)NdPb3 tetrahedra, corners with three equivalent F(5)Pb4 tetrahedra, corners with six equivalent F(7)Pb4 tetrahedra, edges with three equivalent F(6)NdPb3 tetrahedra, and edges with three equivalent F(3)Pb4 tetrahedra. In the eighth F site, F(8) is bonded in a trigonal planar geometry to three equivalent Nd(1) atoms. In the ninth F site, F(9) is bonded to three equivalent Nd(1) and one Pb(4) atom to form FNd3Pb tetrahedra that share  a cornercorner with one F(3)Pb4 tetrahedra, corners with three equivalent F(11)NdPb3 tetrahedra, corners with three equivalent F(7)Pb4 tetrahedra, corners with six equivalent F(9)Nd3Pb tetrahedra, and edges with three equivalent F(6)NdPb3 tetrahedra. In the tenth F site, F(10) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd(1) atoms. In the eleventh F site, F(11) is bonded to one Nd(1) and three equivalent Pb(1) atoms to form FNdPb3 tetrahedra that share  a cornercorner with one F(6)NdPb3 tetrahedra, corners with three equivalent F(9)Nd3Pb tetrahedra, corners with three equivalent F(1)Pb4 tetrahedra, corners with three equivalent F(2)Pb4 tetrahedra, corners with six equivalent F(11)NdPb3 tetrahedra, and edges with three equivalent F(1)Pb4 tetrahedra. is represented by the CIF file [CIF]
data_NdPb4F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.138
_cell_length_b   4.138
_cell_length_c   17.649
_cell_angle_alpha   83.546
_cell_angle_beta   83.546
_cell_angle_gamma   61.392
_symmetry_Int_Tables_number   1
_cell_volume   263.031
_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  0.606  0.606  0.190  1.0
  Pb  Pb1  1  0.046  0.046  1.000  1.0
  Pb  Pb2  1  0.439  0.439  0.799  1.0
  Pb  Pb3  1  0.818  0.818  0.598  1.0
  Pb  Pb4  1  0.208  0.208  0.394  1.0
  F  F5  1  0.392  0.392  0.945  1.0
  F  F6  1  0.087  0.087  0.854  1.0
  F  F7  1  0.169  0.169  0.548  1.0
  F  F8  1  0.789  0.789  0.748  1.0
  F  F9  1  0.470  0.470  0.650  1.0
  F  F10  1  0.563  0.563  0.332  1.0
  F  F11  1  0.856  0.856  0.444  1.0
  F  F12  1  0.948  0.948  0.187  1.0
  F  F13  1  0.254  0.254  0.257  1.0
  F  F14  1  0.323  0.323  0.118  1.0
  F  F15  1  0.684  0.684  0.051  1.0
[/CIF]
.