The structure described by LiMgCoF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm 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 four equivalent Mg(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra,  an edgeedge with one Mg(1)F6 octahedra, and  an edgeedge with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. Mg(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MgF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. Co(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CoF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Mg(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMgCoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.660
_cell_length_b   4.660
_cell_length_c   9.218
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.223
_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  0.500  0.500  0.169  1.0
  Li  Li1  1  0.000  0.000  0.669  1.0
  Mg  Mg2  1  0.500  0.500  0.833  1.0
  Mg  Mg3  1  0.000  0.000  0.333  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.000  0.000  1.000  1.0
  F  F6  1  0.192  0.808  0.162  1.0
  F  F7  1  0.808  0.192  0.162  1.0
  F  F8  1  0.308  0.308  0.662  1.0
  F  F9  1  0.692  0.692  0.662  1.0
  F  F10  1  0.803  0.197  0.841  1.0
  F  F11  1  0.197  0.803  0.841  1.0
  F  F12  1  0.697  0.697  0.341  1.0
  F  F13  1  0.303  0.303  0.341  1.0
  F  F14  1  0.211  0.789  0.496  1.0
  F  F15  1  0.789  0.211  0.496  1.0
  F  F16  1  0.289  0.289  0.996  1.0
  F  F17  1  0.711  0.711  0.996  1.0
[/CIF]
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The structure described by LiMgCoF6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2nm 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 four equivalent Mg(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra,  an edgeedge with one Mg(1)F6 octahedra, and  an edgeedge with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. Mg(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MgF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Co(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. Co(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form CoF6 octahedra that share corners with four equivalent Li(1)F6 octahedra, corners with four equivalent Mg(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMgCoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.660
_cell_length_b   4.660
_cell_length_c   9.218
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   200.223
_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  0.500  0.500  0.169  1.0
  Li  Li1  1  0.000  0.000  0.669  1.0
  Mg  Mg2  1  0.500  0.500  0.833  1.0
  Mg  Mg3  1  0.000  0.000  0.333  1.0
  Co  Co4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.000  0.000  1.000  1.0
  F  F6  1  0.192  0.808  0.162  1.0
  F  F7  1  0.808  0.192  0.162  1.0
  F  F8  1  0.308  0.308  0.662  1.0
  F  F9  1  0.692  0.692  0.662  1.0
  F  F10  1  0.803  0.197  0.841  1.0
  F  F11  1  0.197  0.803  0.841  1.0
  F  F12  1  0.697  0.697  0.341  1.0
  F  F13  1  0.303  0.303  0.341  1.0
  F  F14  1  0.211  0.789  0.496  1.0
  F  F15  1  0.789  0.211  0.496  1.0
  F  F16  1  0.289  0.289  0.996  1.0
  F  F17  1  0.711  0.711  0.996  1.0
[/CIF]
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