The material structure described by ErFe2Co2B crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the second Er site, Er(2) is bonded in a 18-coordinate geometry to two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), four equivalent Co(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 Er(2), two equivalent Co(1), and two equivalent B(1) atoms. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to two equivalent Er(2), two equivalent Co(1), and two equivalent B(1) atoms. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to two equivalent Er(2), two equivalent Co(1), and two equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Er(1), one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Er(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Er(2), one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_ErFe2Co2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   4.981
_cell_length_c   6.940
_cell_angle_alpha   89.994
_cell_angle_beta   89.993
_cell_angle_gamma   60.803
_symmetry_Int_Tables_number   1
_cell_volume   150.326
_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
  Er  Er0  1  1.000  1.000  0.002  1.0
  Er  Er1  1  0.000  0.000  0.496  1.0
  Fe  Fe2  1  0.500  0.500  0.283  1.0
  Fe  Fe3  1  0.500  1.000  0.716  1.0
  Fe  Fe4  1  1.000  0.500  0.716  1.0
  Fe  Fe5  1  0.500  0.500  0.714  1.0
  Co  Co6  1  0.663  0.664  0.000  1.0
  Co  Co7  1  0.337  0.336  0.000  1.0
  Co  Co8  1  0.500  0.000  0.289  1.0
  Co  Co9  1  1.000  0.500  0.289  1.0
  B  B10  1  0.669  0.669  0.498  1.0
  B  B11  1  0.331  0.331  0.498  1.0
[/CIF]
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The material structure described by ErFe2Co2B crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to six equivalent Co(1) atoms. In the second Er site, Er(2) is bonded in a 18-coordinate geometry to two equivalent Fe(1), two equivalent Fe(3), four equivalent Fe(2), four equivalent Co(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 Er(2), two equivalent Co(1), and two equivalent B(1) atoms. In the second Fe site, Fe(2) is bonded in a 2-coordinate geometry to two equivalent Er(2), two equivalent Co(1), and two equivalent B(1) atoms. In the third Fe site, Fe(3) is bonded in a 2-coordinate geometry to two equivalent Er(2), two equivalent Co(1), and two equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Er(1), one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Er(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Er(2), one Fe(1), one Fe(3), two equivalent Fe(2), and two equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_ErFe2Co2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   4.981
_cell_length_c   6.940
_cell_angle_alpha   89.994
_cell_angle_beta   89.993
_cell_angle_gamma   60.803
_symmetry_Int_Tables_number   1
_cell_volume   150.326
_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
  Er  Er0  1  1.000  1.000  0.002  1.0
  Er  Er1  1  0.000  0.000  0.496  1.0
  Fe  Fe2  1  0.500  0.500  0.283  1.0
  Fe  Fe3  1  0.500  1.000  0.716  1.0
  Fe  Fe4  1  1.000  0.500  0.716  1.0
  Fe  Fe5  1  0.500  0.500  0.714  1.0
  Co  Co6  1  0.663  0.664  0.000  1.0
  Co  Co7  1  0.337  0.336  0.000  1.0
  Co  Co8  1  0.500  0.000  0.289  1.0
  Co  Co9  1  1.000  0.500  0.289  1.0
  B  B10  1  0.669  0.669  0.498  1.0
  B  B11  1  0.331  0.331  0.498  1.0
[/CIF]
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