The material structure described by TiF6Zn(H2O)6 is Indium-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three TiF6 clusters and three zinkhexahydrat molecules. In each TiF6 cluster, Ti(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. F(1) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnH12(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.289
_cell_length_b   6.289
_cell_length_c   6.289
_cell_angle_alpha   96.572
_cell_angle_beta   96.572
_cell_angle_gamma   96.572
_symmetry_Int_Tables_number   1
_cell_volume   243.470
_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
  Ti  Ti0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.815  0.941  0.582  1.0
  H  H3  1  0.243  0.837  0.307  1.0
  H  H4  1  0.582  0.815  0.941  1.0
  H  H5  1  0.693  0.757  0.163  1.0
  H  H6  1  0.163  0.693  0.757  1.0
  H  H7  1  0.941  0.582  0.815  1.0
  H  H8  1  0.059  0.418  0.185  1.0
  H  H9  1  0.837  0.307  0.243  1.0
  H  H10  1  0.307  0.243  0.837  1.0
  H  H11  1  0.418  0.185  0.059  1.0
  H  H12  1  0.757  0.163  0.693  1.0
  H  H13  1  0.185  0.059  0.418  1.0
  O  O14  1  0.134  0.936  0.307  1.0
  O  O15  1  0.693  0.866  0.064  1.0
  O  O16  1  0.064  0.693  0.866  1.0
  O  O17  1  0.936  0.307  0.134  1.0
  O  O18  1  0.307  0.134  0.936  1.0
  O  O19  1  0.866  0.064  0.693  1.0
  F  F20  1  0.431  0.755  0.653  1.0
  F  F21  1  0.755  0.653  0.431  1.0
  F  F22  1  0.347  0.569  0.245  1.0
  F  F23  1  0.653  0.431  0.755  1.0
  F  F24  1  0.245  0.347  0.569  1.0
  F  F25  1  0.569  0.245  0.347  1.0
[/CIF]
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The material structure described by TiF6Zn(H2O)6 is Indium-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three TiF6 clusters and three zinkhexahydrat molecules. In each TiF6 cluster, Ti(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. F(1) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiZnH12(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.289
_cell_length_b   6.289
_cell_length_c   6.289
_cell_angle_alpha   96.572
_cell_angle_beta   96.572
_cell_angle_gamma   96.572
_symmetry_Int_Tables_number   1
_cell_volume   243.470
_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
  Ti  Ti0  1  0.500  0.500  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.815  0.941  0.582  1.0
  H  H3  1  0.243  0.837  0.307  1.0
  H  H4  1  0.582  0.815  0.941  1.0
  H  H5  1  0.693  0.757  0.163  1.0
  H  H6  1  0.163  0.693  0.757  1.0
  H  H7  1  0.941  0.582  0.815  1.0
  H  H8  1  0.059  0.418  0.185  1.0
  H  H9  1  0.837  0.307  0.243  1.0
  H  H10  1  0.307  0.243  0.837  1.0
  H  H11  1  0.418  0.185  0.059  1.0
  H  H12  1  0.757  0.163  0.693  1.0
  H  H13  1  0.185  0.059  0.418  1.0
  O  O14  1  0.134  0.936  0.307  1.0
  O  O15  1  0.693  0.866  0.064  1.0
  O  O16  1  0.064  0.693  0.866  1.0
  O  O17  1  0.936  0.307  0.134  1.0
  O  O18  1  0.307  0.134  0.936  1.0
  O  O19  1  0.866  0.064  0.693  1.0
  F  F20  1  0.431  0.755  0.653  1.0
  F  F21  1  0.755  0.653  0.431  1.0
  F  F22  1  0.347  0.569  0.245  1.0
  F  F23  1  0.653  0.431  0.755  1.0
  F  F24  1  0.245  0.347  0.569  1.0
  F  F25  1  0.569  0.245  0.347  1.0
[/CIF]
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