The material described by LiSrTiF6 is Hydrophilite-derived structured and crystallizes in the trigonal P-31c space group. Li(1) is bonded to six equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Sr(1)F6 octahedra and edges with three equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles are 54°. Sr(1) is bonded to six equivalent F(1) atoms to form SrF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. Ti(1) is bonded to six equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Sr(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 49°. F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Ti(1) atom. is represented by the CIF file [CIF]
data_SrLiTiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   5.330
_cell_length_c   10.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   259.167
_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
  Sr  Sr0  1  0.000  0.000  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  Li  Li2  1  0.333  0.667  0.750  1.0
  Li  Li3  1  0.667  0.333  0.250  1.0
  Ti  Ti4  1  0.667  0.333  0.750  1.0
  Ti  Ti5  1  0.333  0.667  0.250  1.0
  F  F6  1  0.643  0.012  0.644  1.0
  F  F7  1  0.357  0.988  0.356  1.0
  F  F8  1  0.988  0.630  0.644  1.0
  F  F9  1  0.643  0.630  0.856  1.0
  F  F10  1  0.012  0.370  0.356  1.0
  F  F11  1  0.357  0.370  0.144  1.0
  F  F12  1  0.370  0.357  0.644  1.0
  F  F13  1  0.988  0.357  0.856  1.0
  F  F14  1  0.630  0.643  0.356  1.0
  F  F15  1  0.012  0.643  0.144  1.0
  F  F16  1  0.370  0.012  0.856  1.0
  F  F17  1  0.630  0.988  0.144  1.0
[/CIF]
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The material described by LiSrTiF6 is Hydrophilite-derived structured and crystallizes in the trigonal P-31c space group. Li(1) is bonded to six equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Sr(1)F6 octahedra and edges with three equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles are 54°. Sr(1) is bonded to six equivalent F(1) atoms to form SrF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. Ti(1) is bonded to six equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Sr(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 49°. F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Sr(1), and one Ti(1) atom. is represented by the CIF file [CIF]
data_SrLiTiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.330
_cell_length_b   5.330
_cell_length_c   10.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   259.167
_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
  Sr  Sr0  1  0.000  0.000  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  Li  Li2  1  0.333  0.667  0.750  1.0
  Li  Li3  1  0.667  0.333  0.250  1.0
  Ti  Ti4  1  0.667  0.333  0.750  1.0
  Ti  Ti5  1  0.333  0.667  0.250  1.0
  F  F6  1  0.643  0.012  0.644  1.0
  F  F7  1  0.357  0.988  0.356  1.0
  F  F8  1  0.988  0.630  0.644  1.0
  F  F9  1  0.643  0.630  0.856  1.0
  F  F10  1  0.012  0.370  0.356  1.0
  F  F11  1  0.357  0.370  0.144  1.0
  F  F12  1  0.370  0.357  0.644  1.0
  F  F13  1  0.988  0.357  0.856  1.0
  F  F14  1  0.630  0.643  0.356  1.0
  F  F15  1  0.012  0.643  0.144  1.0
  F  F16  1  0.370  0.012  0.856  1.0
  F  F17  1  0.630  0.988  0.144  1.0
[/CIF]
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