data_FeHgB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeHgB2
_chemical_formula_sum   'Fe1 Hg1 B2'
_cell_volume   44.68
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.74  1.0
  B  B0  1  0.43  0.43  0.64  1.0
  B  B1  1  0.43  0.43  0.84  1.0

data_FeHgB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeHgB2
_chemical_formula_sum   'Fe2 Hg2 B4'
_cell_volume   89.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.0  0.0  0.74  1.0
  B  B2  2  0.43  0.0  0.64  1.0
  B  B3  2  0.43  0.0  0.84  1.0

Fe Hg B B
Fe Hg B B 0 1 o o - 2 3 o o o 
FeHg(B)2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two 14452-61-0 molecules and two FeHg clusters. In each FeHg cluster, Fe(1) is bonded in a distorted single-bond geometry to one Hg(1) atom. The Fe(1)-Hg(1) bond length is 1.42 Å. Hg(1) is bonded in a distorted single-bond geometry to one Fe(1) atom.