The crystal structure described by CrFeNb crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1); three Nb(2,2); three equivalent Cr(1); four equivalent Cr(2); one Fe(3); two equivalent Fe(1); and two equivalent Fe(2) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2); three Nb(1,1); two equivalent Cr(2); three equivalent Cr(1); one Fe(1); two equivalent Fe(3); and four equivalent Fe(2) atoms. In the third Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2); three Nb(1,1); two equivalent Cr(2); three equivalent Cr(1); one Fe(1); two equivalent Fe(3); and four equivalent Fe(2) atoms. In the fourth Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1); three Nb(2,2); three equivalent Cr(1); four equivalent Cr(2); one Fe(3); two equivalent Fe(1); and two equivalent Fe(2) atoms. In the fifth Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2); three Nb(1,1); two equivalent Cr(2); three equivalent Cr(1); one Fe(1); two equivalent Fe(3); and four equivalent Fe(2) atoms. In the sixth Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), three equivalent Cr(1), four equivalent Cr(2), one Fe(3), two equivalent Fe(1), and two equivalent Fe(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three Nb(1,1); three Nb(2,2); two equivalent Cr(2); one Fe(1); one Fe(3); and two equivalent Fe(2) atoms to form distorted CrNb6Cr2Fe4 cuboctahedra that share corners with two equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, corners with two equivalent Fe(1)Nb6Cr6 cuboctahedra, corners with four equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, corners with four equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, edges with six equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, faces with three equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, faces with three equivalent Fe(1)Nb6Cr6 cuboctahedra, faces with six equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, and faces with six equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra. In the second Cr site, Cr(2) is bonded to two Nb(2,2); four Nb(1,1,1); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Fe(1) atoms to form distorted CrNb6Cr4Fe2 cuboctahedra that share corners with four equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, corners with four equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, corners with six equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, edges with two equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, edges with four equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, faces with two equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, faces with two equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, faces with four equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, faces with four equivalent Fe(1)Nb6Cr6 cuboctahedra, and faces with six equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two Nb(2,2); four equivalent Nb(1); two equivalent Cr(1); and four equivalent Cr(2) atoms to form FeNb6Cr6 cuboctahedra that share corners with two equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Fe(1)Nb6Cr6 cuboctahedra, corners with eight equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, edges with two equivalent Fe(1)Nb6Cr6 cuboctahedra, edges with four equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, faces with four equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, faces with six equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, and faces with eight equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Nb(1); four Nb(2,2,2); two equivalent Cr(1); two equivalent Fe(2); and two equivalent Fe(3) atoms to form distorted FeNb6Cr2Fe4 cuboctahedra that share corners with four equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Fe(1)Nb6Cr6 cuboctahedra, corners with six equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, edges with two equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, edges with four equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, faces with two equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, faces with two equivalent Fe(1)Nb6Cr6 cuboctahedra, faces with four equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, faces with four equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, and faces with six equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Nb(1); four Nb(2,2); two equivalent Cr(1); and four equivalent Fe(2) atoms to form distorted FeNb6Cr2Fe4 cuboctahedra that share corners with two equivalent Fe(1)Nb6Cr6 cuboctahedra, corners with four equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, corners with eight equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, edges with two equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, edges with four equivalent Fe(1)Nb6Cr6 cuboctahedra, faces with four equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, faces with six equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, and faces with eight equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra. is represented by the CIF card [CIF]
data_NbCrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.885
_cell_length_b   4.885
_cell_length_c   7.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.763
_symmetry_Int_Tables_number   1
_cell_volume   159.988
_cell_formula_units_Z   4
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
  Nb  Nb0  1  0.333  0.667  0.192  1.0
  Nb  Nb1  1  0.666  0.334  0.315  1.0
  Nb  Nb2  1  0.666  0.334  0.685  1.0
  Nb  Nb3  1  0.333  0.667  0.808  1.0
  Cr  Cr4  1  0.999  0.001  0.259  1.0
  Cr  Cr5  1  0.999  0.001  0.741  1.0
  Cr  Cr6  1  0.830  0.658  0.000  1.0
  Cr  Cr7  1  0.342  0.170  0.000  1.0
  Fe  Fe8  1  0.829  0.171  0.000  1.0
  Fe  Fe9  1  0.172  0.341  0.500  1.0
  Fe  Fe10  1  0.659  0.828  0.500  1.0
  Fe  Fe11  1  0.173  0.827  0.500  1.0
[/CIF]
.
The crystal structure described by CrFeNb crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1); three Nb(2,2); three equivalent Cr(1); four equivalent Cr(2); one Fe(3); two equivalent Fe(1); and two equivalent Fe(2) atoms. In the second Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2); three Nb(1,1); two equivalent Cr(2); three equivalent Cr(1); one Fe(1); two equivalent Fe(3); and four equivalent Fe(2) atoms. In the third Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2); three Nb(1,1); two equivalent Cr(2); three equivalent Cr(1); one Fe(1); two equivalent Fe(3); and four equivalent Fe(2) atoms. In the fourth Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1); three Nb(2,2); three equivalent Cr(1); four equivalent Cr(2); one Fe(3); two equivalent Fe(1); and two equivalent Fe(2) atoms. In the fifth Nb site, Nb(2) is bonded in a 16-coordinate geometry to one Nb(2); three Nb(1,1); two equivalent Cr(2); three equivalent Cr(1); one Fe(1); two equivalent Fe(3); and four equivalent Fe(2) atoms. In the sixth Nb site, Nb(1) is bonded in a 16-coordinate geometry to one Nb(1), three equivalent Nb(2), three equivalent Cr(1), four equivalent Cr(2), one Fe(3), two equivalent Fe(1), and two equivalent Fe(2) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three Nb(1,1); three Nb(2,2); two equivalent Cr(2); one Fe(1); one Fe(3); and two equivalent Fe(2) atoms to form distorted CrNb6Cr2Fe4 cuboctahedra that share corners with two equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, corners with two equivalent Fe(1)Nb6Cr6 cuboctahedra, corners with four equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, corners with four equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, edges with six equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, faces with three equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, faces with three equivalent Fe(1)Nb6Cr6 cuboctahedra, faces with six equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, and faces with six equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra. In the second Cr site, Cr(2) is bonded to two Nb(2,2); four Nb(1,1,1); two equivalent Cr(1); two equivalent Cr(2); and two equivalent Fe(1) atoms to form distorted CrNb6Cr4Fe2 cuboctahedra that share corners with four equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, corners with four equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, corners with six equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, edges with two equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, edges with four equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, faces with two equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, faces with two equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, faces with four equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, faces with four equivalent Fe(1)Nb6Cr6 cuboctahedra, and faces with six equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two Nb(2,2); four equivalent Nb(1); two equivalent Cr(1); and four equivalent Cr(2) atoms to form FeNb6Cr6 cuboctahedra that share corners with two equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Fe(1)Nb6Cr6 cuboctahedra, corners with eight equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, edges with two equivalent Fe(1)Nb6Cr6 cuboctahedra, edges with four equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, faces with four equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, faces with six equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, and faces with eight equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Nb(1); four Nb(2,2,2); two equivalent Cr(1); two equivalent Fe(2); and two equivalent Fe(3) atoms to form distorted FeNb6Cr2Fe4 cuboctahedra that share corners with four equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Fe(1)Nb6Cr6 cuboctahedra, corners with six equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, edges with two equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, edges with four equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, faces with two equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, faces with two equivalent Fe(1)Nb6Cr6 cuboctahedra, faces with four equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra, faces with four equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, and faces with six equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Nb(1); four Nb(2,2); two equivalent Cr(1); and four equivalent Fe(2) atoms to form distorted FeNb6Cr2Fe4 cuboctahedra that share corners with two equivalent Fe(1)Nb6Cr6 cuboctahedra, corners with four equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, corners with four equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, corners with eight equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, edges with two equivalent Fe(3)Nb6Cr2Fe4 cuboctahedra, edges with four equivalent Fe(1)Nb6Cr6 cuboctahedra, faces with four equivalent Cr(2)Nb6Cr4Fe2 cuboctahedra, faces with six equivalent Cr(1)Nb6Cr2Fe4 cuboctahedra, and faces with eight equivalent Fe(2)Nb6Cr2Fe4 cuboctahedra. is represented by the CIF card [CIF]
data_NbCrFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.885
_cell_length_b   4.885
_cell_length_c   7.803
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.763
_symmetry_Int_Tables_number   1
_cell_volume   159.988
_cell_formula_units_Z   4
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
  Nb  Nb0  1  0.333  0.667  0.192  1.0
  Nb  Nb1  1  0.666  0.334  0.315  1.0
  Nb  Nb2  1  0.666  0.334  0.685  1.0
  Nb  Nb3  1  0.333  0.667  0.808  1.0
  Cr  Cr4  1  0.999  0.001  0.259  1.0
  Cr  Cr5  1  0.999  0.001  0.741  1.0
  Cr  Cr6  1  0.830  0.658  0.000  1.0
  Cr  Cr7  1  0.342  0.170  0.000  1.0
  Fe  Fe8  1  0.829  0.171  0.000  1.0
  Fe  Fe9  1  0.172  0.341  0.500  1.0
  Fe  Fe10  1  0.659  0.828  0.500  1.0
  Fe  Fe11  1  0.173  0.827  0.500  1.0
[/CIF]
.