The material structure described by Y2FeB crystallizes in the cubic F-43m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Fe(1) and six equivalent B(1) atoms to form distorted YFe4B6 tetrahedra that share corners with six equivalent Y(1)Fe4B6 tetrahedra, corners with twelve equivalent Y(2)B4 tetrahedra, faces with four equivalent Y(2)B4 tetrahedra, and faces with twelve equivalent Y(1)Fe4B6 tetrahedra. In the second Y site, Y(2) is bonded to four equivalent B(1) atoms to form distorted YB4 tetrahedra that share corners with twelve equivalent Y(2)B4 tetrahedra, corners with twelve equivalent Y(1)Fe4B6 tetrahedra, and faces with four equivalent Y(1)Fe4B6 tetrahedra. Fe(1) is bonded in a distorted body-centered cubic geometry to four equivalent Y(1) and four equivalent B(1) atoms. B(1) is bonded in a 14-coordinate geometry to four equivalent Y(2), six equivalent Y(1), and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.562
_cell_length_b   4.562
_cell_length_c   4.562
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   67.153
_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  0.750  0.750  0.750  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  B  B3  1  0.250  0.250  0.250  1.0
[/CIF]
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The material structure described by Y2FeB crystallizes in the cubic F-43m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Fe(1) and six equivalent B(1) atoms to form distorted YFe4B6 tetrahedra that share corners with six equivalent Y(1)Fe4B6 tetrahedra, corners with twelve equivalent Y(2)B4 tetrahedra, faces with four equivalent Y(2)B4 tetrahedra, and faces with twelve equivalent Y(1)Fe4B6 tetrahedra. In the second Y site, Y(2) is bonded to four equivalent B(1) atoms to form distorted YB4 tetrahedra that share corners with twelve equivalent Y(2)B4 tetrahedra, corners with twelve equivalent Y(1)Fe4B6 tetrahedra, and faces with four equivalent Y(1)Fe4B6 tetrahedra. Fe(1) is bonded in a distorted body-centered cubic geometry to four equivalent Y(1) and four equivalent B(1) atoms. B(1) is bonded in a 14-coordinate geometry to four equivalent Y(2), six equivalent Y(1), and four equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.562
_cell_length_b   4.562
_cell_length_c   4.562
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   67.153
_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  0.750  0.750  0.750  1.0
  Y  Y1  1  0.000  0.000  0.000  1.0
  Fe  Fe2  1  0.500  0.500  0.500  1.0
  B  B3  1  0.250  0.250  0.250  1.0
[/CIF]
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