The material structure described by (NH4)3TiF7 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two 1333-74-0 molecules, one ammonia molecule, one hydrofluoric acid molecule, one monofluoroamine molecule, and one TiNH3F5 cluster. In the TiNH3F5 cluster, Ti(1) is bonded in a tetrahedral geometry to one N(3), one F(1), one F(5), and one F(6) atom. N(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one H(8) atom. There are three inequivalent H sites. In the first H site, H(2) is bonded in a distorted linear geometry to one F(3) and one F(5) atom. In the second H site, H(8) is bonded in a single-bond geometry to one N(3) atom. In the third H site, H(9) is bonded in a linear geometry to one F(2) and one F(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ti(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one H(9) atom. In the third F site, F(3) is bonded in a single-bond geometry to one H(2) atom. In the fourth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one H(2), and one H(9) atom. In the fifth F site, F(6) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiH12N3F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.000
_cell_length_b   7.144
_cell_length_c   7.153
_cell_angle_alpha   93.023
_cell_angle_beta   118.348
_cell_angle_gamma   112.850
_symmetry_Int_Tables_number   1
_cell_volume   277.433
_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  0.857  0.497  0.899  1.0
  H  H1  1  0.267  0.951  0.264  1.0
  H  H2  1  0.325  0.387  0.164  1.0
  H  H3  1  0.895  0.961  0.931  1.0
  H  H4  1  0.678  0.737  0.150  1.0
  H  H5  1  0.544  0.861  0.434  1.0
  H  H6  1  0.844  0.968  0.505  1.0
  H  H7  1  0.671  0.701  0.451  1.0
  H  H8  1  0.396  0.180  0.644  1.0
  H  H9  1  0.088  0.274  0.792  1.0
  H  H10  1  0.866  0.050  0.950  1.0
  H  H11  1  0.573  0.849  0.767  1.0
  H  H12  1  0.328  0.997  0.202  1.0
  N  N13  1  0.573  0.796  0.171  1.0
  N  N14  1  0.666  0.836  0.406  1.0
  N  N15  1  0.581  0.276  0.742  1.0
  F  F16  1  0.892  0.684  0.735  1.0
  F  F17  1  0.081  0.200  0.668  1.0
  F  F18  1  0.484  0.404  0.277  1.0
  F  F19  1  0.426  0.741  0.639  1.0
  F  F20  1  0.095  0.389  0.973  1.0
  F  F21  1  0.863  0.647  0.127  1.0
  F  F22  1  0.665  0.006  0.149  1.0
[/CIF]
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The material structure described by (NH4)3TiF7 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two 1333-74-0 molecules, one ammonia molecule, one hydrofluoric acid molecule, one monofluoroamine molecule, and one TiNH3F5 cluster. In the TiNH3F5 cluster, Ti(1) is bonded in a tetrahedral geometry to one N(3), one F(1), one F(5), and one F(6) atom. N(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one H(8) atom. There are three inequivalent H sites. In the first H site, H(2) is bonded in a distorted linear geometry to one F(3) and one F(5) atom. In the second H site, H(8) is bonded in a single-bond geometry to one N(3) atom. In the third H site, H(9) is bonded in a linear geometry to one F(2) and one F(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Ti(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one H(9) atom. In the third F site, F(3) is bonded in a single-bond geometry to one H(2) atom. In the fourth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one H(2), and one H(9) atom. In the fifth F site, F(6) is bonded in a single-bond geometry to one Ti(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiH12N3F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.000
_cell_length_b   7.144
_cell_length_c   7.153
_cell_angle_alpha   93.023
_cell_angle_beta   118.348
_cell_angle_gamma   112.850
_symmetry_Int_Tables_number   1
_cell_volume   277.433
_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  0.857  0.497  0.899  1.0
  H  H1  1  0.267  0.951  0.264  1.0
  H  H2  1  0.325  0.387  0.164  1.0
  H  H3  1  0.895  0.961  0.931  1.0
  H  H4  1  0.678  0.737  0.150  1.0
  H  H5  1  0.544  0.861  0.434  1.0
  H  H6  1  0.844  0.968  0.505  1.0
  H  H7  1  0.671  0.701  0.451  1.0
  H  H8  1  0.396  0.180  0.644  1.0
  H  H9  1  0.088  0.274  0.792  1.0
  H  H10  1  0.866  0.050  0.950  1.0
  H  H11  1  0.573  0.849  0.767  1.0
  H  H12  1  0.328  0.997  0.202  1.0
  N  N13  1  0.573  0.796  0.171  1.0
  N  N14  1  0.666  0.836  0.406  1.0
  N  N15  1  0.581  0.276  0.742  1.0
  F  F16  1  0.892  0.684  0.735  1.0
  F  F17  1  0.081  0.200  0.668  1.0
  F  F18  1  0.484  0.404  0.277  1.0
  F  F19  1  0.426  0.741  0.639  1.0
  F  F20  1  0.095  0.389  0.973  1.0
  F  F21  1  0.863  0.647  0.127  1.0
  F  F22  1  0.665  0.006  0.149  1.0
[/CIF]
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