The material structure described by Mg(SO)2(CF3)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four trifluoromethane molecules and two Mg(SO)2 clusters. In each Mg(SO)2 cluster, Mg(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. S(1) is bonded in a distorted single-bond geometry to one O(1) atom. O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. is represented by the CIF card [CIF]
data_MgC2S2(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.609
_cell_length_b   4.690
_cell_length_c   20.344
_cell_angle_alpha   90.123
_cell_angle_beta   96.181
_cell_angle_gamma   115.417
_symmetry_Int_Tables_number   1
_cell_volume   394.325
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  C  C2  1  0.404  0.800  0.157  1.0
  C  C3  1  0.854  0.753  0.656  1.0
  C  C4  1  0.146  0.247  0.344  1.0
  C  C5  1  0.596  0.200  0.843  1.0
  S  S6  1  0.373  0.745  0.065  1.0
  S  S7  1  0.793  0.671  0.565  1.0
  S  S8  1  0.207  0.329  0.435  1.0
  S  S9  1  0.627  0.255  0.935  1.0
  O  O10  1  0.162  0.380  0.055  1.0
  O  O11  1  0.150  0.783  0.550  1.0
  O  O12  1  0.850  0.217  0.450  1.0
  O  O13  1  0.838  0.620  0.945  1.0
  F  F14  1  0.898  0.959  0.327  1.0
  F  F15  1  0.464  0.571  0.186  1.0
  F  F16  1  0.872  0.211  0.823  1.0
  F  F17  1  0.352  0.915  0.824  1.0
  F  F18  1  0.579  0.746  0.676  1.0
  F  F19  1  0.924  0.537  0.689  1.0
  F  F20  1  0.076  0.463  0.311  1.0
  F  F21  1  0.421  0.254  0.324  1.0
  F  F22  1  0.648  0.085  0.176  1.0
  F  F23  1  0.128  0.789  0.177  1.0
  F  F24  1  0.536  0.429  0.814  1.0
  F  F25  1  0.102  0.041  0.673  1.0
[/CIF]
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The material structure described by Mg(SO)2(CF3)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four trifluoromethane molecules and two Mg(SO)2 clusters. In each Mg(SO)2 cluster, Mg(1) is bonded in a distorted linear geometry to two equivalent O(1) atoms. S(1) is bonded in a distorted single-bond geometry to one O(1) atom. O(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one S(1) atom. is represented by the CIF card [CIF]
data_MgC2S2(OF3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.609
_cell_length_b   4.690
_cell_length_c   20.344
_cell_angle_alpha   90.123
_cell_angle_beta   96.181
_cell_angle_gamma   115.417
_symmetry_Int_Tables_number   1
_cell_volume   394.325
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  C  C2  1  0.404  0.800  0.157  1.0
  C  C3  1  0.854  0.753  0.656  1.0
  C  C4  1  0.146  0.247  0.344  1.0
  C  C5  1  0.596  0.200  0.843  1.0
  S  S6  1  0.373  0.745  0.065  1.0
  S  S7  1  0.793  0.671  0.565  1.0
  S  S8  1  0.207  0.329  0.435  1.0
  S  S9  1  0.627  0.255  0.935  1.0
  O  O10  1  0.162  0.380  0.055  1.0
  O  O11  1  0.150  0.783  0.550  1.0
  O  O12  1  0.850  0.217  0.450  1.0
  O  O13  1  0.838  0.620  0.945  1.0
  F  F14  1  0.898  0.959  0.327  1.0
  F  F15  1  0.464  0.571  0.186  1.0
  F  F16  1  0.872  0.211  0.823  1.0
  F  F17  1  0.352  0.915  0.824  1.0
  F  F18  1  0.579  0.746  0.676  1.0
  F  F19  1  0.924  0.537  0.689  1.0
  F  F20  1  0.076  0.463  0.311  1.0
  F  F21  1  0.421  0.254  0.324  1.0
  F  F22  1  0.648  0.085  0.176  1.0
  F  F23  1  0.128  0.789  0.177  1.0
  F  F24  1  0.536  0.429  0.814  1.0
  F  F25  1  0.102  0.041  0.673  1.0
[/CIF]
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