The crystal structure described by SmFe2Ni2B crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to six equivalent Ni(1) atoms. In the second Sm site, Sm(2) is bonded in a 18-coordinate geometry to two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), four equivalent Ni(2), and six equivalent B(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Sm(2), two equivalent Ni(1), and two equivalent B(1) atoms. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to two equivalent Sm(2), two equivalent Ni(1), and two equivalent B(1) atoms. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to two equivalent Sm(2), two equivalent Ni(1), and two equivalent B(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Sm(1), one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded in a distorted L-shaped geometry to two equivalent Sm(2), two equivalent Ni(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(2), one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmFe2Ni2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.045
_cell_length_b   5.045
_cell_length_c   7.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.672
_symmetry_Int_Tables_number   1
_cell_volume   155.917
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.000  0.000  0.002  1.0
  Sm  Sm1  1  0.000  0.000  0.494  1.0
  Fe  Fe2  1  0.500  0.500  0.287  1.0
  Fe  Fe3  1  0.000  0.500  0.715  1.0
  Fe  Fe4  1  0.500  0.000  0.715  1.0
  Fe  Fe5  1  0.500  0.500  0.712  1.0
  Ni  Ni6  1  0.336  0.664  0.999  1.0
  Ni  Ni7  1  0.664  0.336  0.999  1.0
  Ni  Ni8  1  0.000  0.500  0.290  1.0
  Ni  Ni9  1  0.500  0.000  0.290  1.0
  B  B10  1  0.335  0.665  0.498  1.0
  B  B11  1  0.665  0.335  0.498  1.0
[/CIF]
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The crystal structure described by SmFe2Ni2B crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to six equivalent Ni(1) atoms. In the second Sm site, Sm(2) is bonded in a 18-coordinate geometry to two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), four equivalent Ni(2), and six equivalent B(1) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent Sm(2), two equivalent Ni(1), and two equivalent B(1) atoms. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to two equivalent Sm(2), two equivalent Ni(1), and two equivalent B(1) atoms. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to two equivalent Sm(2), two equivalent Ni(1), and two equivalent B(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to three equivalent Sm(1), one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Ni(2) atoms. In the second Ni site, Ni(2) is bonded in a distorted L-shaped geometry to two equivalent Sm(2), two equivalent Ni(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(2), one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmFe2Ni2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.045
_cell_length_b   5.045
_cell_length_c   7.050
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.672
_symmetry_Int_Tables_number   1
_cell_volume   155.917
_cell_formula_units_Z   2
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
  Sm  Sm0  1  0.000  0.000  0.002  1.0
  Sm  Sm1  1  0.000  0.000  0.494  1.0
  Fe  Fe2  1  0.500  0.500  0.287  1.0
  Fe  Fe3  1  0.000  0.500  0.715  1.0
  Fe  Fe4  1  0.500  0.000  0.715  1.0
  Fe  Fe5  1  0.500  0.500  0.712  1.0
  Ni  Ni6  1  0.336  0.664  0.999  1.0
  Ni  Ni7  1  0.664  0.336  0.999  1.0
  Ni  Ni8  1  0.000  0.500  0.290  1.0
  Ni  Ni9  1  0.500  0.000  0.290  1.0
  B  B10  1  0.335  0.665  0.498  1.0
  B  B11  1  0.665  0.335  0.498  1.0
[/CIF]
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