The compound described by NdFe5Bi4O15 crystallizes in the triclinic P1 space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(11), two equivalent O(12), and two equivalent O(6) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(6), and two equivalent O(1) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(12), one O(6), one O(7), and two equivalent O(2) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(13), one O(7), one O(8), and two equivalent O(3) atoms. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(14), one O(8), one O(9), and two equivalent O(4) atoms. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(15), one O(9), and two equivalent O(5) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(10) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(13), and two equivalent O(7) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(14), one O(3), one O(4), and two equivalent O(8) atoms. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one O(14), one O(4), one O(5), two equivalent O(15), and two equivalent O(9) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), two equivalent Fe(1), and one Bi(1) atom to form ONdFe2Bi tetrahedra that share  a cornercorner with one O(5)Fe2Bi2 tetrahedra,  a cornercorner with one O(2)NdFe2Bi tetrahedra, corners with two equivalent O(1)NdFe2Bi tetrahedra, edges with two equivalent O(10)Fe2Bi2 tetrahedra, and edges with two equivalent O(6)Nd2Fe2 tetrahedra. In the second O site, O(2) is bonded to one Nd(1), two equivalent Fe(2), and one Bi(2) atom to form ONdFe2Bi tetrahedra that share  a cornercorner with one O(3)Fe2Bi2 tetrahedra,  a cornercorner with one O(1)NdFe2Bi tetrahedra, corners with two equivalent O(2)NdFe2Bi tetrahedra, edges with two equivalent O(7)Fe2Bi2 tetrahedra, and edges with two equivalent O(6)Nd2Fe2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Fe(3), one Bi(2), and one Bi(3) atom to form distorted OFe2Bi2 tetrahedra that share  a cornercorner with one O(4)Fe2Bi2 tetrahedra,  a cornercorner with one O(2)NdFe2Bi tetrahedra, corners with two equivalent O(3)Fe2Bi2 tetrahedra, edges with two equivalent O(7)Fe2Bi2 tetrahedra, and edges with two equivalent O(8)Fe2Bi2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Fe(4), one Bi(3), and one Bi(4) atom to form a mixture of distorted corner and edge-sharing OFe2Bi2 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Fe(5), one Bi(1), and one Bi(4) atom to form OFe2Bi2 tetrahedra that share  a cornercorner with one O(4)Fe2Bi2 tetrahedra,  a cornercorner with one O(1)NdFe2Bi tetrahedra, corners with two equivalent O(5)Fe2Bi2 tetrahedra, edges with two equivalent O(10)Fe2Bi2 tetrahedra, and edges with two equivalent O(9)Fe2Bi2 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Nd(1), one Fe(1), and one Fe(2) atom to form distorted ONd2Fe2 tetrahedra that share  a cornercorner with one O(10)Fe2Bi2 tetrahedra,  a cornercorner with one O(7)Fe2Bi2 tetrahedra, corners with two equivalent O(6)Nd2Fe2 tetrahedra, edges with two equivalent O(1)NdFe2Bi tetrahedra, and edges with two equivalent O(2)NdFe2Bi tetrahedra. In the seventh O site, O(7) is bonded to one Fe(2), one Fe(3), and two equivalent Bi(2) atoms to form OFe2Bi2 tetrahedra that share  a cornercorner with one O(8)Fe2Bi2 tetrahedra,  a cornercorner with one O(6)Nd2Fe2 tetrahedra, corners with two equivalent O(7)Fe2Bi2 tetrahedra, edges with two equivalent O(3)Fe2Bi2 tetrahedra, and edges with two equivalent O(2)NdFe2Bi tetrahedra. In the eighth O site, O(8) is bonded to one Fe(3), one Fe(4), and two equivalent Bi(3) atoms to form a mixture of distorted corner and edge-sharing OFe2Bi2 tetrahedra. In the ninth O site, O(9) is bonded to one Fe(4), one Fe(5), and two equivalent Bi(4) atoms to form a mixture of distorted corner and edge-sharing OFe2Bi2 tetrahedra. In the tenth O site, O(10) is bonded to one Fe(1), one Fe(5), and two equivalent Bi(1) atoms to form OFe2Bi2 tetrahedra that share  a cornercorner with one O(9)Fe2Bi2 tetrahedra,  a cornercorner with one O(6)Nd2Fe2 tetrahedra, corners with two equivalent O(10)Fe2Bi2 tetrahedra, edges with two equivalent O(5)Fe2Bi2 tetrahedra, and edges with two equivalent O(1)NdFe2Bi tetrahedra. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd(1) and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Fe(3) and two equivalent Bi(2) atoms. In the fourteenth O site, O(14) is bonded in a 1-coordinate geometry to one Fe(4), one Bi(3), and one Bi(4) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one Fe(5) and two equivalent Bi(4) atoms. is represented by the CIF card [CIF]
data_NdFe5Bi4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.755
_cell_length_b   22.077
_cell_length_c   4.894
_cell_angle_alpha   88.005
_cell_angle_beta   91.018
_cell_angle_gamma   120.783
_symmetry_Int_Tables_number   1
_cell_volume   348.380
_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  0.604  0.196  0.027  1.0
  Fe  Fe1  1  0.807  0.095  0.483  1.0
  Fe  Fe2  1  0.390  0.289  0.475  1.0
  Fe  Fe3  1  0.000  0.492  0.487  1.0
  Fe  Fe4  1  0.596  0.691  0.482  1.0
  Fe  Fe5  1  0.195  0.891  0.483  1.0
  Bi  Bi6  1  0.000  0.997  0.069  1.0
  Bi  Bi7  1  0.206  0.399  0.067  1.0
  Bi  Bi8  1  0.783  0.598  0.054  1.0
  Bi  Bi9  1  0.378  0.798  0.052  1.0
  O  O10  1  0.286  0.088  0.340  1.0
  O  O11  1  0.906  0.295  0.331  1.0
  O  O12  1  0.499  0.493  0.338  1.0
  O  O13  1  0.097  0.692  0.333  1.0
  O  O14  1  0.698  0.893  0.332  1.0
  O  O15  1  0.097  0.192  0.344  1.0
  O  O16  1  0.702  0.393  0.339  1.0
  O  O17  1  0.300  0.593  0.338  1.0
  O  O18  1  0.899  0.792  0.338  1.0
  O  O19  1  0.496  0.992  0.336  1.0
  O  O20  1  0.830  0.101  0.864  1.0
  O  O21  1  0.342  0.273  0.853  1.0
  O  O22  1  0.009  0.489  0.865  1.0
  O  O23  1  0.614  0.687  0.861  1.0
  O  O24  1  0.195  0.884  0.861  1.0
[/CIF]
.
The compound described by NdFe5Bi4O15 crystallizes in the triclinic P1 space group. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(11), two equivalent O(12), and two equivalent O(6) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(11), one O(6), and two equivalent O(1) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the second Fe site, Fe(2) is bonded to one O(12), one O(6), one O(7), and two equivalent O(2) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(13), one O(7), one O(8), and two equivalent O(3) atoms. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(14), one O(8), one O(9), and two equivalent O(4) atoms. In the fifth Fe site, Fe(5) is bonded to one O(10), one O(15), one O(9), and two equivalent O(5) atoms to form distorted corner-sharing FeO5 trigonal bipyramids. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(10) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(13), and two equivalent O(7) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one O(14), one O(3), one O(4), and two equivalent O(8) atoms. In the fourth Bi site, Bi(4) is bonded in a 7-coordinate geometry to one O(14), one O(4), one O(5), two equivalent O(15), and two equivalent O(9) atoms. There are fifteen inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), two equivalent Fe(1), and one Bi(1) atom to form ONdFe2Bi tetrahedra that share  a cornercorner with one O(5)Fe2Bi2 tetrahedra,  a cornercorner with one O(2)NdFe2Bi tetrahedra, corners with two equivalent O(1)NdFe2Bi tetrahedra, edges with two equivalent O(10)Fe2Bi2 tetrahedra, and edges with two equivalent O(6)Nd2Fe2 tetrahedra. In the second O site, O(2) is bonded to one Nd(1), two equivalent Fe(2), and one Bi(2) atom to form ONdFe2Bi tetrahedra that share  a cornercorner with one O(3)Fe2Bi2 tetrahedra,  a cornercorner with one O(1)NdFe2Bi tetrahedra, corners with two equivalent O(2)NdFe2Bi tetrahedra, edges with two equivalent O(7)Fe2Bi2 tetrahedra, and edges with two equivalent O(6)Nd2Fe2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Fe(3), one Bi(2), and one Bi(3) atom to form distorted OFe2Bi2 tetrahedra that share  a cornercorner with one O(4)Fe2Bi2 tetrahedra,  a cornercorner with one O(2)NdFe2Bi tetrahedra, corners with two equivalent O(3)Fe2Bi2 tetrahedra, edges with two equivalent O(7)Fe2Bi2 tetrahedra, and edges with two equivalent O(8)Fe2Bi2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Fe(4), one Bi(3), and one Bi(4) atom to form a mixture of distorted corner and edge-sharing OFe2Bi2 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Fe(5), one Bi(1), and one Bi(4) atom to form OFe2Bi2 tetrahedra that share  a cornercorner with one O(4)Fe2Bi2 tetrahedra,  a cornercorner with one O(1)NdFe2Bi tetrahedra, corners with two equivalent O(5)Fe2Bi2 tetrahedra, edges with two equivalent O(10)Fe2Bi2 tetrahedra, and edges with two equivalent O(9)Fe2Bi2 tetrahedra. In the sixth O site, O(6) is bonded to two equivalent Nd(1), one Fe(1), and one Fe(2) atom to form distorted ONd2Fe2 tetrahedra that share  a cornercorner with one O(10)Fe2Bi2 tetrahedra,  a cornercorner with one O(7)Fe2Bi2 tetrahedra, corners with two equivalent O(6)Nd2Fe2 tetrahedra, edges with two equivalent O(1)NdFe2Bi tetrahedra, and edges with two equivalent O(2)NdFe2Bi tetrahedra. In the seventh O site, O(7) is bonded to one Fe(2), one Fe(3), and two equivalent Bi(2) atoms to form OFe2Bi2 tetrahedra that share  a cornercorner with one O(8)Fe2Bi2 tetrahedra,  a cornercorner with one O(6)Nd2Fe2 tetrahedra, corners with two equivalent O(7)Fe2Bi2 tetrahedra, edges with two equivalent O(3)Fe2Bi2 tetrahedra, and edges with two equivalent O(2)NdFe2Bi tetrahedra. In the eighth O site, O(8) is bonded to one Fe(3), one Fe(4), and two equivalent Bi(3) atoms to form a mixture of distorted corner and edge-sharing OFe2Bi2 tetrahedra. In the ninth O site, O(9) is bonded to one Fe(4), one Fe(5), and two equivalent Bi(4) atoms to form a mixture of distorted corner and edge-sharing OFe2Bi2 tetrahedra. In the tenth O site, O(10) is bonded to one Fe(1), one Fe(5), and two equivalent Bi(1) atoms to form OFe2Bi2 tetrahedra that share  a cornercorner with one O(9)Fe2Bi2 tetrahedra,  a cornercorner with one O(6)Nd2Fe2 tetrahedra, corners with two equivalent O(10)Fe2Bi2 tetrahedra, edges with two equivalent O(5)Fe2Bi2 tetrahedra, and edges with two equivalent O(1)NdFe2Bi tetrahedra. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to two equivalent Nd(1) and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd(1) and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Fe(3) and two equivalent Bi(2) atoms. In the fourteenth O site, O(14) is bonded in a 1-coordinate geometry to one Fe(4), one Bi(3), and one Bi(4) atom. In the fifteenth O site, O(15) is bonded in a 1-coordinate geometry to one Fe(5) and two equivalent Bi(4) atoms. is represented by the CIF card [CIF]
data_NdFe5Bi4O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.755
_cell_length_b   22.077
_cell_length_c   4.894
_cell_angle_alpha   88.005
_cell_angle_beta   91.018
_cell_angle_gamma   120.783
_symmetry_Int_Tables_number   1
_cell_volume   348.380
_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  0.604  0.196  0.027  1.0
  Fe  Fe1  1  0.807  0.095  0.483  1.0
  Fe  Fe2  1  0.390  0.289  0.475  1.0
  Fe  Fe3  1  0.000  0.492  0.487  1.0
  Fe  Fe4  1  0.596  0.691  0.482  1.0
  Fe  Fe5  1  0.195  0.891  0.483  1.0
  Bi  Bi6  1  0.000  0.997  0.069  1.0
  Bi  Bi7  1  0.206  0.399  0.067  1.0
  Bi  Bi8  1  0.783  0.598  0.054  1.0
  Bi  Bi9  1  0.378  0.798  0.052  1.0
  O  O10  1  0.286  0.088  0.340  1.0
  O  O11  1  0.906  0.295  0.331  1.0
  O  O12  1  0.499  0.493  0.338  1.0
  O  O13  1  0.097  0.692  0.333  1.0
  O  O14  1  0.698  0.893  0.332  1.0
  O  O15  1  0.097  0.192  0.344  1.0
  O  O16  1  0.702  0.393  0.339  1.0
  O  O17  1  0.300  0.593  0.338  1.0
  O  O18  1  0.899  0.792  0.338  1.0
  O  O19  1  0.496  0.992  0.336  1.0
  O  O20  1  0.830  0.101  0.864  1.0
  O  O21  1  0.342  0.273  0.853  1.0
  O  O22  1  0.009  0.489  0.865  1.0
  O  O23  1  0.614  0.687  0.861  1.0
  O  O24  1  0.195  0.884  0.861  1.0
[/CIF]
.