The material described by FeHg(SCN)4 crystallizes in the tetragonal I-4 space group. Fe(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. Hg(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a linear geometry to one Fe(1) and one C(1) atom. S(1) is bonded in a water-like geometry to one Hg(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeHgC4(SN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.334
_cell_length_b   8.334
_cell_length_c   8.334
_cell_angle_alpha   94.757
_cell_angle_beta   94.757
_cell_angle_gamma   146.528
_symmetry_Int_Tables_number   1
_cell_volume   305.736
_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  Fe0  1  0.750  0.250  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.177  0.973  0.355  1.0
  C  C3  1  0.027  0.382  0.204  1.0
  C  C4  1  0.178  0.823  0.796  1.0
  C  C5  1  0.618  0.822  0.645  1.0
  S  S6  1  0.882  0.835  0.280  1.0
  S  S7  1  0.165  0.445  0.047  1.0
  S  S8  1  0.398  0.118  0.953  1.0
  S  S9  1  0.555  0.602  0.720  1.0
  N  N10  1  0.389  0.072  0.412  1.0
  N  N11  1  0.928  0.340  0.317  1.0
  N  N12  1  0.024  0.611  0.683  1.0
  N  N13  1  0.660  0.976  0.588  1.0
[/CIF]
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The material described by FeHg(SCN)4 crystallizes in the tetragonal I-4 space group. Fe(1) is bonded in a tetrahedral geometry to four equivalent N(1) atoms. Hg(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. C(1) is bonded in a distorted linear geometry to one N(1) and one S(1) atom. N(1) is bonded in a linear geometry to one Fe(1) and one C(1) atom. S(1) is bonded in a water-like geometry to one Hg(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeHgC4(SN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.334
_cell_length_b   8.334
_cell_length_c   8.334
_cell_angle_alpha   94.757
_cell_angle_beta   94.757
_cell_angle_gamma   146.528
_symmetry_Int_Tables_number   1
_cell_volume   305.736
_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  Fe0  1  0.750  0.250  0.500  1.0
  Hg  Hg1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.177  0.973  0.355  1.0
  C  C3  1  0.027  0.382  0.204  1.0
  C  C4  1  0.178  0.823  0.796  1.0
  C  C5  1  0.618  0.822  0.645  1.0
  S  S6  1  0.882  0.835  0.280  1.0
  S  S7  1  0.165  0.445  0.047  1.0
  S  S8  1  0.398  0.118  0.953  1.0
  S  S9  1  0.555  0.602  0.720  1.0
  N  N10  1  0.389  0.072  0.412  1.0
  N  N11  1  0.928  0.340  0.317  1.0
  N  N12  1  0.024  0.611  0.683  1.0
  N  N13  1  0.660  0.976  0.588  1.0
[/CIF]
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