The compound described by HgTe2(OF5)2 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four HgTe2(OF5)2 clusters. Hg(1) is bonded in a linear geometry to two equivalent O(1) atoms. Te(1) is bonded in an octahedral geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. O(1) is bonded in a bent 120 degrees geometry to one Hg(1) and one Te(1) atom. There are five inequivalent F sites. In the first F site, F(4) is bonded in a single-bond geometry to one Te(1) atom. In the second F site, F(5) is bonded in a single-bond geometry to one Te(1) atom. In the third F site, F(1) is bonded in a single-bond geometry to one Te(1) atom. In the fourth F site, F(2) is bonded in a single-bond geometry to one Te(1) atom. In the fifth F site, F(3) is bonded in a single-bond geometry to one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgTe2(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.740
_cell_length_b   10.740
_cell_length_c   6.033
_cell_angle_alpha   83.198
_cell_angle_beta   83.198
_cell_angle_gamma   50.127
_symmetry_Int_Tables_number   1
_cell_volume   529.462
_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
  Hg  Hg0  1  0.373  0.627  0.250  1.0
  Hg  Hg1  1  0.627  0.373  0.750  1.0
  Te  Te2  1  0.375  0.881  0.834  1.0
  Te  Te3  1  0.119  0.625  0.666  1.0
  Te  Te4  1  0.625  0.119  0.166  1.0
  Te  Te5  1  0.881  0.375  0.334  1.0
  O  O6  1  0.454  0.671  0.949  1.0
  O  O7  1  0.329  0.546  0.551  1.0
  O  O8  1  0.546  0.329  0.051  1.0
  O  O9  1  0.671  0.454  0.449  1.0
  F  F10  1  0.325  0.850  0.565  1.0
  F  F11  1  0.150  0.675  0.935  1.0
  F  F12  1  0.675  0.150  0.435  1.0
  F  F13  1  0.850  0.325  0.065  1.0
  F  F14  1  0.297  0.085  0.711  1.0
  F  F15  1  0.915  0.703  0.789  1.0
  F  F16  1  0.703  0.915  0.289  1.0
  F  F17  1  0.085  0.297  0.211  1.0
  F  F18  1  0.582  0.793  0.705  1.0
  F  F19  1  0.207  0.418  0.795  1.0
  F  F20  1  0.418  0.207  0.295  1.0
  F  F21  1  0.793  0.582  0.205  1.0
  F  F22  1  0.418  0.926  0.092  1.0
  F  F23  1  0.074  0.582  0.408  1.0
  F  F24  1  0.582  0.074  0.908  1.0
  F  F25  1  0.926  0.418  0.592  1.0
  F  F26  1  0.161  0.980  0.950  1.0
  F  F27  1  0.020  0.839  0.550  1.0
  F  F28  1  0.839  0.020  0.050  1.0
  F  F29  1  0.980  0.161  0.450  1.0
[/CIF]
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The compound described by HgTe2(OF5)2 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four HgTe2(OF5)2 clusters. Hg(1) is bonded in a linear geometry to two equivalent O(1) atoms. Te(1) is bonded in an octahedral geometry to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom. O(1) is bonded in a bent 120 degrees geometry to one Hg(1) and one Te(1) atom. There are five inequivalent F sites. In the first F site, F(4) is bonded in a single-bond geometry to one Te(1) atom. In the second F site, F(5) is bonded in a single-bond geometry to one Te(1) atom. In the third F site, F(1) is bonded in a single-bond geometry to one Te(1) atom. In the fourth F site, F(2) is bonded in a single-bond geometry to one Te(1) atom. In the fifth F site, F(3) is bonded in a single-bond geometry to one Te(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_HgTe2(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.740
_cell_length_b   10.740
_cell_length_c   6.033
_cell_angle_alpha   83.198
_cell_angle_beta   83.198
_cell_angle_gamma   50.127
_symmetry_Int_Tables_number   1
_cell_volume   529.462
_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
  Hg  Hg0  1  0.373  0.627  0.250  1.0
  Hg  Hg1  1  0.627  0.373  0.750  1.0
  Te  Te2  1  0.375  0.881  0.834  1.0
  Te  Te3  1  0.119  0.625  0.666  1.0
  Te  Te4  1  0.625  0.119  0.166  1.0
  Te  Te5  1  0.881  0.375  0.334  1.0
  O  O6  1  0.454  0.671  0.949  1.0
  O  O7  1  0.329  0.546  0.551  1.0
  O  O8  1  0.546  0.329  0.051  1.0
  O  O9  1  0.671  0.454  0.449  1.0
  F  F10  1  0.325  0.850  0.565  1.0
  F  F11  1  0.150  0.675  0.935  1.0
  F  F12  1  0.675  0.150  0.435  1.0
  F  F13  1  0.850  0.325  0.065  1.0
  F  F14  1  0.297  0.085  0.711  1.0
  F  F15  1  0.915  0.703  0.789  1.0
  F  F16  1  0.703  0.915  0.289  1.0
  F  F17  1  0.085  0.297  0.211  1.0
  F  F18  1  0.582  0.793  0.705  1.0
  F  F19  1  0.207  0.418  0.795  1.0
  F  F20  1  0.418  0.207  0.295  1.0
  F  F21  1  0.793  0.582  0.205  1.0
  F  F22  1  0.418  0.926  0.092  1.0
  F  F23  1  0.074  0.582  0.408  1.0
  F  F24  1  0.582  0.074  0.908  1.0
  F  F25  1  0.926  0.418  0.592  1.0
  F  F26  1  0.161  0.980  0.950  1.0
  F  F27  1  0.020  0.839  0.550  1.0
  F  F28  1  0.839  0.020  0.050  1.0
  F  F29  1  0.980  0.161  0.450  1.0
[/CIF]
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