The material structure described by Y(CrFe3)3 crystallizes in the orthorhombic Imm2 space group. Y(1) is bonded in a 20-coordinate geometry to one Cr(1), two equivalent Cr(2), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), four equivalent Fe(1), and eight equivalent Fe(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to one Y(1), four equivalent Cr(2), one Fe(5), two equivalent Fe(1), two equivalent Fe(3), and four equivalent Fe(4) atoms. In the second Cr site, Cr(2) is bonded in a 14-coordinate geometry to one Y(1), one Cr(2), two equivalent Cr(1), one Fe(2), one Fe(3), two equivalent Fe(1), two equivalent Fe(5), and four equivalent Fe(4) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Y(1), one Cr(1), two equivalent Cr(2), one Fe(2), one Fe(3), one Fe(5), and four equivalent Fe(4) atoms to form distorted FeY2Cr3Fe7 cuboctahedra that share corners with two equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, corners with two equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, corners with six equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, corners with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra, edges with three equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, edges with four equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  a faceface with one Fe(1)Y2Cr3Fe7 cuboctahedra, faces with three equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, faces with three equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, and faces with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Y(1), two equivalent Cr(2), two equivalent Fe(1), two equivalent Fe(5), and four equivalent Fe(4) atoms to form distorted FeY2Cr2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, corners with six equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, corners with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  an edgeedge with one Fe(3)Y2Cr4Fe6 cuboctahedra, edges with two equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, edges with four equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  a faceface with one Fe(3)Y2Cr4Fe6 cuboctahedra, faces with six equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, and faces with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Y(1), two equivalent Cr(1), two equivalent Cr(2), two equivalent Fe(1), and four equivalent Fe(4) atoms to form distorted FeY2Cr4Fe6 cuboctahedra that share corners with four equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, corners with six equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, corners with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  an edgeedge with one Fe(2)Y2Cr2Fe8 cuboctahedra, edges with two equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, edges with four equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  a faceface with one Fe(2)Y2Cr2Fe8 cuboctahedra, faces with six equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, and faces with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Y(1), one Cr(1), two equivalent Cr(2), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(1), and two equivalent Fe(4) atoms to form distorted FeY2Cr3Fe7 cuboctahedra that share corners with two equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, corners with two equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, corners with four equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, corners with ten equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  an edgeedge with one Fe(2)Y2Cr2Fe8 cuboctahedra,  an edgeedge with one Fe(3)Y2Cr4Fe6 cuboctahedra, edges with two equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, edges with four equivalent Fe(4)Y2Cr3Fe7 cuboctahedra, faces with two equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, faces with two equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, faces with four equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, and faces with six equivalent Fe(4)Y2Cr3Fe7 cuboctahedra. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Y(1), one Cr(1), four equivalent Cr(2), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(4) atoms. is represented by the CIF card [CIF]
data_Y(CrFe3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.705
_cell_length_b   6.367
_cell_length_c   6.367
_cell_angle_alpha   98.357
_cell_angle_beta   111.681
_cell_angle_gamma   68.319
_symmetry_Int_Tables_number   1
_cell_volume   164.695
_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
  Y  Y0  1  0.995  0.005  0.995  1.0
  Cr  Cr1  1  0.361  0.639  0.361  1.0
  Cr  Cr2  1  0.003  0.366  0.372  1.0
  Cr  Cr3  1  0.003  0.628  0.634  1.0
  Fe  Fe4  1  0.501  0.773  0.775  1.0
  Fe  Fe5  1  0.501  0.225  0.227  1.0
  Fe  Fe6  1  0.275  0.225  0.775  1.0
  Fe  Fe7  1  0.728  0.772  0.228  1.0
  Fe  Fe8  1  0.500  0.998  0.498  1.0
  Fe  Fe9  1  0.000  0.998  0.498  1.0
  Fe  Fe10  1  0.500  0.502  0.002  1.0
  Fe  Fe11  1  0.000  0.502  0.002  1.0
  Fe  Fe12  1  0.634  0.366  0.634  1.0
[/CIF]
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The material structure described by Y(CrFe3)3 crystallizes in the orthorhombic Imm2 space group. Y(1) is bonded in a 20-coordinate geometry to one Cr(1), two equivalent Cr(2), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), four equivalent Fe(1), and eight equivalent Fe(4) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 1-coordinate geometry to one Y(1), four equivalent Cr(2), one Fe(5), two equivalent Fe(1), two equivalent Fe(3), and four equivalent Fe(4) atoms. In the second Cr site, Cr(2) is bonded in a 14-coordinate geometry to one Y(1), one Cr(2), two equivalent Cr(1), one Fe(2), one Fe(3), two equivalent Fe(1), two equivalent Fe(5), and four equivalent Fe(4) atoms. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Y(1), one Cr(1), two equivalent Cr(2), one Fe(2), one Fe(3), one Fe(5), and four equivalent Fe(4) atoms to form distorted FeY2Cr3Fe7 cuboctahedra that share corners with two equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, corners with two equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, corners with six equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, corners with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra, edges with three equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, edges with four equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  a faceface with one Fe(1)Y2Cr3Fe7 cuboctahedra, faces with three equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, faces with three equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, and faces with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Y(1), two equivalent Cr(2), two equivalent Fe(1), two equivalent Fe(5), and four equivalent Fe(4) atoms to form distorted FeY2Cr2Fe8 cuboctahedra that share corners with four equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, corners with six equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, corners with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  an edgeedge with one Fe(3)Y2Cr4Fe6 cuboctahedra, edges with two equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, edges with four equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  a faceface with one Fe(3)Y2Cr4Fe6 cuboctahedra, faces with six equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, and faces with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Y(1), two equivalent Cr(1), two equivalent Cr(2), two equivalent Fe(1), and four equivalent Fe(4) atoms to form distorted FeY2Cr4Fe6 cuboctahedra that share corners with four equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, corners with six equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, corners with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  an edgeedge with one Fe(2)Y2Cr2Fe8 cuboctahedra, edges with two equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, edges with four equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  a faceface with one Fe(2)Y2Cr2Fe8 cuboctahedra, faces with six equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, and faces with eight equivalent Fe(4)Y2Cr3Fe7 cuboctahedra. In the fourth Fe site, Fe(4) is bonded to two equivalent Y(1), one Cr(1), two equivalent Cr(2), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(1), and two equivalent Fe(4) atoms to form distorted FeY2Cr3Fe7 cuboctahedra that share corners with two equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, corners with two equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, corners with four equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, corners with ten equivalent Fe(4)Y2Cr3Fe7 cuboctahedra,  an edgeedge with one Fe(2)Y2Cr2Fe8 cuboctahedra,  an edgeedge with one Fe(3)Y2Cr4Fe6 cuboctahedra, edges with two equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, edges with four equivalent Fe(4)Y2Cr3Fe7 cuboctahedra, faces with two equivalent Fe(2)Y2Cr2Fe8 cuboctahedra, faces with two equivalent Fe(3)Y2Cr4Fe6 cuboctahedra, faces with four equivalent Fe(1)Y2Cr3Fe7 cuboctahedra, and faces with six equivalent Fe(4)Y2Cr3Fe7 cuboctahedra. In the fifth Fe site, Fe(5) is bonded in a distorted single-bond geometry to one Y(1), one Cr(1), four equivalent Cr(2), two equivalent Fe(1), two equivalent Fe(2), and four equivalent Fe(4) atoms. is represented by the CIF card [CIF]
data_Y(CrFe3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.705
_cell_length_b   6.367
_cell_length_c   6.367
_cell_angle_alpha   98.357
_cell_angle_beta   111.681
_cell_angle_gamma   68.319
_symmetry_Int_Tables_number   1
_cell_volume   164.695
_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
  Y  Y0  1  0.995  0.005  0.995  1.0
  Cr  Cr1  1  0.361  0.639  0.361  1.0
  Cr  Cr2  1  0.003  0.366  0.372  1.0
  Cr  Cr3  1  0.003  0.628  0.634  1.0
  Fe  Fe4  1  0.501  0.773  0.775  1.0
  Fe  Fe5  1  0.501  0.225  0.227  1.0
  Fe  Fe6  1  0.275  0.225  0.775  1.0
  Fe  Fe7  1  0.728  0.772  0.228  1.0
  Fe  Fe8  1  0.500  0.998  0.498  1.0
  Fe  Fe9  1  0.000  0.998  0.498  1.0
  Fe  Fe10  1  0.500  0.502  0.002  1.0
  Fe  Fe11  1  0.000  0.502  0.002  1.0
  Fe  Fe12  1  0.634  0.366  0.634  1.0
[/CIF]
.