The material described by LiMnGaF6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with two equivalent Ga(1)F6 octahedra, corners with six equivalent Mn(1)F6 octahedra, and edges with two equivalent Ga(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with four equivalent Ga(2)F6 octahedra, corners with six equivalent Li(1)F6 octahedra, and  an edgeedge with one Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Ga site, Ga(2) is bonded to three equivalent F(2) and three equivalent F(3) atoms to form GaF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Ga(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Ga(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Ga(2) atom. is represented by the CIF file [CIF]
data_LiMnGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.818
_cell_length_b   8.818
_cell_length_c   4.796
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   322.936
_cell_formula_units_Z   3
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  0.298  0.000  0.500  1.0
  Li  Li1  1  0.000  0.298  0.500  1.0
  Li  Li2  1  0.702  0.702  0.500  1.0
  Mn  Mn3  1  0.639  0.000  0.000  1.0
  Mn  Mn4  1  0.000  0.639  0.000  1.0
  Mn  Mn5  1  0.361  0.361  0.000  1.0
  Ga  Ga6  1  0.000  0.000  0.000  1.0
  Ga  Ga7  1  0.333  0.667  0.503  1.0
  Ga  Ga8  1  0.667  0.333  0.497  1.0
  F  F9  1  0.099  0.889  0.778  1.0
  F  F10  1  0.111  0.210  0.778  1.0
  F  F11  1  0.790  0.901  0.778  1.0
  F  F12  1  0.210  0.111  0.222  1.0
  F  F13  1  0.901  0.790  0.222  1.0
  F  F14  1  0.889  0.099  0.222  1.0
  F  F15  1  0.453  0.579  0.729  1.0
  F  F16  1  0.421  0.874  0.729  1.0
  F  F17  1  0.126  0.547  0.729  1.0
  F  F18  1  0.874  0.421  0.271  1.0
  F  F19  1  0.547  0.126  0.271  1.0
  F  F20  1  0.579  0.453  0.271  1.0
  F  F21  1  0.224  0.767  0.282  1.0
  F  F22  1  0.233  0.457  0.282  1.0
  F  F23  1  0.543  0.776  0.282  1.0
  F  F24  1  0.457  0.233  0.718  1.0
  F  F25  1  0.776  0.543  0.718  1.0
  F  F26  1  0.767  0.224  0.718  1.0
[/CIF]
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The material described by LiMnGaF6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. Li(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form LiF6 octahedra that share corners with two equivalent Ga(1)F6 octahedra, corners with six equivalent Mn(1)F6 octahedra, and edges with two equivalent Ga(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with four equivalent Ga(2)F6 octahedra, corners with six equivalent Li(1)F6 octahedra, and  an edgeedge with one Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to six equivalent F(1) atoms to form GaF6 octahedra that share corners with six equivalent Li(1)F6 octahedra and edges with three equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Ga site, Ga(2) is bonded to three equivalent F(2) and three equivalent F(3) atoms to form GaF6 octahedra that share corners with six equivalent Mn(1)F6 octahedra and edges with three equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Ga(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Ga(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Ga(2) atom. is represented by the CIF file [CIF]
data_LiMnGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.818
_cell_length_b   8.818
_cell_length_c   4.796
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   322.936
_cell_formula_units_Z   3
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  0.298  0.000  0.500  1.0
  Li  Li1  1  0.000  0.298  0.500  1.0
  Li  Li2  1  0.702  0.702  0.500  1.0
  Mn  Mn3  1  0.639  0.000  0.000  1.0
  Mn  Mn4  1  0.000  0.639  0.000  1.0
  Mn  Mn5  1  0.361  0.361  0.000  1.0
  Ga  Ga6  1  0.000  0.000  0.000  1.0
  Ga  Ga7  1  0.333  0.667  0.503  1.0
  Ga  Ga8  1  0.667  0.333  0.497  1.0
  F  F9  1  0.099  0.889  0.778  1.0
  F  F10  1  0.111  0.210  0.778  1.0
  F  F11  1  0.790  0.901  0.778  1.0
  F  F12  1  0.210  0.111  0.222  1.0
  F  F13  1  0.901  0.790  0.222  1.0
  F  F14  1  0.889  0.099  0.222  1.0
  F  F15  1  0.453  0.579  0.729  1.0
  F  F16  1  0.421  0.874  0.729  1.0
  F  F17  1  0.126  0.547  0.729  1.0
  F  F18  1  0.874  0.421  0.271  1.0
  F  F19  1  0.547  0.126  0.271  1.0
  F  F20  1  0.579  0.453  0.271  1.0
  F  F21  1  0.224  0.767  0.282  1.0
  F  F22  1  0.233  0.457  0.282  1.0
  F  F23  1  0.543  0.776  0.282  1.0
  F  F24  1  0.457  0.233  0.718  1.0
  F  F25  1  0.776  0.543  0.718  1.0
  F  F26  1  0.767  0.224  0.718  1.0
[/CIF]
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