The compound described by SmCo2Fe2B crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 18-coordinate geometry to four equivalent Fe(1), six equivalent Fe(2), two equivalent Co(1), two equivalent Co(3), and four equivalent Co(2) atoms. In the second Sm site, Sm(2) is bonded in a 18-coordinate geometry to four equivalent Fe(1), two equivalent Co(1), two equivalent Co(3), four equivalent Co(2), and six equivalent B(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted L-shaped geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Sm(1), two equivalent Fe(1), one Co(1), one Co(3), and two equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Fe(2), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(2), two equivalent Fe(1), one Co(1), one Co(3), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmFe2Co2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.138
_cell_length_c   6.890
_cell_angle_alpha   89.996
_cell_angle_beta   89.991
_cell_angle_gamma   60.208
_symmetry_Int_Tables_number   1
_cell_volume   156.859
_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  1.000  0.000  0.002  1.0
  Sm  Sm1  1  1.000  0.000  0.493  1.0
  Fe  Fe2  1  1.000  0.500  0.712  1.0
  Fe  Fe3  1  0.500  0.500  0.712  1.0
  Fe  Fe4  1  0.668  0.665  0.003  1.0
  Fe  Fe5  1  0.332  0.335  0.003  1.0
  Co  Co6  1  0.500  0.000  0.289  1.0
  Co  Co7  1  1.000  0.500  0.290  1.0
  Co  Co8  1  0.500  0.500  0.290  1.0
  Co  Co9  1  0.500  0.000  0.712  1.0
  B  B10  1  0.665  0.670  0.497  1.0
  B  B11  1  0.335  0.330  0.497  1.0
[/CIF]
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The compound described by SmCo2Fe2B crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 18-coordinate geometry to four equivalent Fe(1), six equivalent Fe(2), two equivalent Co(1), two equivalent Co(3), and four equivalent Co(2) atoms. In the second Sm site, Sm(2) is bonded in a 18-coordinate geometry to four equivalent Fe(1), two equivalent Co(1), two equivalent Co(3), four equivalent Co(2), and six equivalent B(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted L-shaped geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the second Fe site, Fe(2) is bonded in a 9-coordinate geometry to three equivalent Sm(1), two equivalent Fe(1), one Co(1), one Co(3), and two equivalent Co(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 2-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Fe(2), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a 2-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Fe(2), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Sm(2), two equivalent Fe(1), one Co(1), one Co(3), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SmFe2Co2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.106
_cell_length_b   5.138
_cell_length_c   6.890
_cell_angle_alpha   89.996
_cell_angle_beta   89.991
_cell_angle_gamma   60.208
_symmetry_Int_Tables_number   1
_cell_volume   156.859
_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  1.000  0.000  0.002  1.0
  Sm  Sm1  1  1.000  0.000  0.493  1.0
  Fe  Fe2  1  1.000  0.500  0.712  1.0
  Fe  Fe3  1  0.500  0.500  0.712  1.0
  Fe  Fe4  1  0.668  0.665  0.003  1.0
  Fe  Fe5  1  0.332  0.335  0.003  1.0
  Co  Co6  1  0.500  0.000  0.289  1.0
  Co  Co7  1  1.000  0.500  0.290  1.0
  Co  Co8  1  0.500  0.500  0.290  1.0
  Co  Co9  1  0.500  0.000  0.712  1.0
  B  B10  1  0.665  0.670  0.497  1.0
  B  B11  1  0.335  0.330  0.497  1.0
[/CIF]
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