The material structure described by LiCaGaF6 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 Ca(1)F6 octahedra and edges with three equivalent Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles are 55°. Ca(1) is bonded to six equivalent F(1) atoms to form CaF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and corners with six equivalent Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent Ca(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ca(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCaGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   5.170
_cell_length_c   9.878
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   228.675
_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
  Li  Li0  1  0.333  0.667  0.250  1.0
  Li  Li1  1  0.667  0.333  0.750  1.0
  Ca  Ca2  1  0.000  0.000  0.000  1.0
  Ca  Ca3  1  0.000  0.000  0.500  1.0
  Ga  Ga4  1  0.667  0.333  0.250  1.0
  Ga  Ga5  1  0.333  0.667  0.750  1.0
  F  F6  1  0.981  0.347  0.140  1.0
  F  F7  1  0.019  0.366  0.640  1.0
  F  F8  1  0.634  0.653  0.640  1.0
  F  F9  1  0.347  0.981  0.640  1.0
  F  F10  1  0.653  0.019  0.360  1.0
  F  F11  1  0.653  0.634  0.140  1.0
  F  F12  1  0.366  0.019  0.140  1.0
  F  F13  1  0.366  0.347  0.360  1.0
  F  F14  1  0.347  0.366  0.860  1.0
  F  F15  1  0.981  0.634  0.360  1.0
  F  F16  1  0.019  0.653  0.860  1.0
  F  F17  1  0.634  0.981  0.860  1.0
[/CIF]
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The material structure described by LiCaGaF6 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 Ca(1)F6 octahedra and edges with three equivalent Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles are 55°. Ca(1) is bonded to six equivalent F(1) atoms to form CaF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and corners with six equivalent Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent Ca(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ca(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCaGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   5.170
_cell_length_c   9.878
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   228.675
_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
  Li  Li0  1  0.333  0.667  0.250  1.0
  Li  Li1  1  0.667  0.333  0.750  1.0
  Ca  Ca2  1  0.000  0.000  0.000  1.0
  Ca  Ca3  1  0.000  0.000  0.500  1.0
  Ga  Ga4  1  0.667  0.333  0.250  1.0
  Ga  Ga5  1  0.333  0.667  0.750  1.0
  F  F6  1  0.981  0.347  0.140  1.0
  F  F7  1  0.019  0.366  0.640  1.0
  F  F8  1  0.634  0.653  0.640  1.0
  F  F9  1  0.347  0.981  0.640  1.0
  F  F10  1  0.653  0.019  0.360  1.0
  F  F11  1  0.653  0.634  0.140  1.0
  F  F12  1  0.366  0.019  0.140  1.0
  F  F13  1  0.366  0.347  0.360  1.0
  F  F14  1  0.347  0.366  0.860  1.0
  F  F15  1  0.981  0.634  0.360  1.0
  F  F16  1  0.019  0.653  0.860  1.0
  F  F17  1  0.634  0.981  0.860  1.0
[/CIF]
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