The material structure described by FeRh6B3 crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a 2-coordinate geometry to one B(1) and one B(2) atom. There are nine inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 3-coordinate geometry to one B(1), one B(3), and one B(4) atom. In the second Rh site, Rh(2) is bonded in a 3-coordinate geometry to one B(2) and two equivalent B(3) atoms. In the third Rh site, Rh(3) is bonded in a 3-coordinate geometry to one B(1), one B(2), and one B(3) atom. In the fourth Rh site, Rh(4) is bonded in a 3-coordinate geometry to one B(4) and two equivalent B(1) atoms. In the fifth Rh site, Rh(5) is bonded in a 3-coordinate geometry to one B(2) and two equivalent B(1) atoms. In the sixth Rh site, Rh(6) is bonded in a 3-coordinate geometry to one B(4) and two equivalent B(3) atoms. In the seventh Rh site, Rh(7) is bonded in a distorted water-like geometry to two equivalent B(3) atoms. In the eighth Rh site, Rh(8) is bonded in a 2-coordinate geometry to one B(3) and one B(4) atom. In the ninth Rh site, Rh(9) is bonded in a distorted water-like geometry to two equivalent B(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Fe(1), one Rh(1), one Rh(3), one Rh(4), one Rh(5), and one Rh(9) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), one Rh(2), one Rh(5), and two equivalent Rh(3) atoms. In the third B site, B(3) is bonded in a 6-coordinate geometry to one Rh(1), one Rh(2), one Rh(3), one Rh(6), one Rh(7), and one Rh(8) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Rh(4), one Rh(6), two equivalent Rh(1), and two equivalent Rh(8) atoms. is represented by the CIF card [CIF]
data_Fe(BRh2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.509
_cell_length_b   7.509
_cell_length_c   4.761
_cell_angle_alpha   89.806
_cell_angle_beta   89.806
_cell_angle_gamma   60.093
_symmetry_Int_Tables_number   1
_cell_volume   232.660
_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
  Fe  Fe0  1  0.908  0.550  0.044  1.0
  Fe  Fe1  1  0.550  0.908  0.044  1.0
  B  B2  1  0.815  0.373  0.770  1.0
  B  B3  1  0.816  0.816  0.767  1.0
  B  B4  1  0.373  0.815  0.770  1.0
  B  B5  1  0.188  0.620  0.276  1.0
  B  B6  1  0.189  0.189  0.279  1.0
  B  B7  1  0.620  0.188  0.276  1.0
  Rh  Rh8  1  0.876  0.250  0.363  1.0
  Rh  Rh9  1  0.871  0.871  0.350  1.0
  Rh  Rh10  1  0.250  0.876  0.363  1.0
  Rh  Rh11  1  0.122  0.747  0.869  1.0
  Rh  Rh12  1  0.128  0.128  0.873  1.0
  Rh  Rh13  1  0.747  0.122  0.869  1.0
  Rh  Rh14  1  0.668  0.668  0.537  1.0
  Rh  Rh15  1  0.333  0.333  0.048  1.0
  Rh  Rh16  1  0.457  0.457  0.525  1.0
  Rh  Rh17  1  0.078  0.459  0.540  1.0
  Rh  Rh18  1  0.459  0.078  0.540  1.0
  Rh  Rh19  1  0.551  0.551  0.021  1.0
[/CIF]
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The material structure described by FeRh6B3 crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a 2-coordinate geometry to one B(1) and one B(2) atom. There are nine inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 3-coordinate geometry to one B(1), one B(3), and one B(4) atom. In the second Rh site, Rh(2) is bonded in a 3-coordinate geometry to one B(2) and two equivalent B(3) atoms. In the third Rh site, Rh(3) is bonded in a 3-coordinate geometry to one B(1), one B(2), and one B(3) atom. In the fourth Rh site, Rh(4) is bonded in a 3-coordinate geometry to one B(4) and two equivalent B(1) atoms. In the fifth Rh site, Rh(5) is bonded in a 3-coordinate geometry to one B(2) and two equivalent B(1) atoms. In the sixth Rh site, Rh(6) is bonded in a 3-coordinate geometry to one B(4) and two equivalent B(3) atoms. In the seventh Rh site, Rh(7) is bonded in a distorted water-like geometry to two equivalent B(3) atoms. In the eighth Rh site, Rh(8) is bonded in a 2-coordinate geometry to one B(3) and one B(4) atom. In the ninth Rh site, Rh(9) is bonded in a distorted water-like geometry to two equivalent B(1) atoms. There are four inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to one Fe(1), one Rh(1), one Rh(3), one Rh(4), one Rh(5), and one Rh(9) atom. In the second B site, B(2) is bonded in a 6-coordinate geometry to two equivalent Fe(1), one Rh(2), one Rh(5), and two equivalent Rh(3) atoms. In the third B site, B(3) is bonded in a 6-coordinate geometry to one Rh(1), one Rh(2), one Rh(3), one Rh(6), one Rh(7), and one Rh(8) atom. In the fourth B site, B(4) is bonded in a 6-coordinate geometry to one Rh(4), one Rh(6), two equivalent Rh(1), and two equivalent Rh(8) atoms. is represented by the CIF card [CIF]
data_Fe(BRh2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.509
_cell_length_b   7.509
_cell_length_c   4.761
_cell_angle_alpha   89.806
_cell_angle_beta   89.806
_cell_angle_gamma   60.093
_symmetry_Int_Tables_number   1
_cell_volume   232.660
_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
  Fe  Fe0  1  0.908  0.550  0.044  1.0
  Fe  Fe1  1  0.550  0.908  0.044  1.0
  B  B2  1  0.815  0.373  0.770  1.0
  B  B3  1  0.816  0.816  0.767  1.0
  B  B4  1  0.373  0.815  0.770  1.0
  B  B5  1  0.188  0.620  0.276  1.0
  B  B6  1  0.189  0.189  0.279  1.0
  B  B7  1  0.620  0.188  0.276  1.0
  Rh  Rh8  1  0.876  0.250  0.363  1.0
  Rh  Rh9  1  0.871  0.871  0.350  1.0
  Rh  Rh10  1  0.250  0.876  0.363  1.0
  Rh  Rh11  1  0.122  0.747  0.869  1.0
  Rh  Rh12  1  0.128  0.128  0.873  1.0
  Rh  Rh13  1  0.747  0.122  0.869  1.0
  Rh  Rh14  1  0.668  0.668  0.537  1.0
  Rh  Rh15  1  0.333  0.333  0.048  1.0
  Rh  Rh16  1  0.457  0.457  0.525  1.0
  Rh  Rh17  1  0.078  0.459  0.540  1.0
  Rh  Rh18  1  0.459  0.078  0.540  1.0
  Rh  Rh19  1  0.551  0.551  0.021  1.0
[/CIF]
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