The compound described by LiMgSO4F crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra and  an edgeedge with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Li(1)O3F trigonal pyramids and edges with two equivalent Li(1)O3F trigonal pyramids. In the second Mg site, Mg(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent F(1) atoms. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Li(1) and one Mg(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Mg(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one S(1) atom. F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one Mg(2) atom. is represented by the CIF file [CIF]
data_LiMgSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.309
_cell_length_b   6.403
_cell_length_c   6.988
_cell_angle_alpha   108.429
_cell_angle_beta   106.688
_cell_angle_gamma   101.630
_symmetry_Int_Tables_number   1
_cell_volume   204.402
_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  0.253  0.685  0.838  1.0
  Li  Li1  1  0.747  0.315  0.162  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.000  0.500  1.0
  S  S4  1  0.417  0.546  0.361  1.0
  S  S5  1  0.583  0.454  0.639  1.0
  O  O6  1  0.165  0.596  0.377  1.0
  O  O7  1  0.227  0.824  0.114  1.0
  O  O8  1  0.351  0.263  0.607  1.0
  O  O9  1  0.365  0.335  0.169  1.0
  O  O10  1  0.635  0.665  0.831  1.0
  O  O11  1  0.649  0.737  0.393  1.0
  O  O12  1  0.773  0.176  0.886  1.0
  O  O13  1  0.835  0.404  0.623  1.0
  F  F14  1  0.137  0.927  0.752  1.0
  F  F15  1  0.863  0.073  0.248  1.0
[/CIF]
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The compound described by LiMgSO4F crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(2), one O(4), and one F(1) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra and  an edgeedge with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 62°. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Li(1)O3F trigonal pyramids and edges with two equivalent Li(1)O3F trigonal pyramids. In the second Mg site, Mg(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent F(1) atoms. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one S(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Li(1) and one Mg(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Mg(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one S(1) atom. F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(1), and one Mg(2) atom. is represented by the CIF file [CIF]
data_LiMgSO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.309
_cell_length_b   6.403
_cell_length_c   6.988
_cell_angle_alpha   108.429
_cell_angle_beta   106.688
_cell_angle_gamma   101.630
_symmetry_Int_Tables_number   1
_cell_volume   204.402
_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  0.253  0.685  0.838  1.0
  Li  Li1  1  0.747  0.315  0.162  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.000  0.500  1.0
  S  S4  1  0.417  0.546  0.361  1.0
  S  S5  1  0.583  0.454  0.639  1.0
  O  O6  1  0.165  0.596  0.377  1.0
  O  O7  1  0.227  0.824  0.114  1.0
  O  O8  1  0.351  0.263  0.607  1.0
  O  O9  1  0.365  0.335  0.169  1.0
  O  O10  1  0.635  0.665  0.831  1.0
  O  O11  1  0.649  0.737  0.393  1.0
  O  O12  1  0.773  0.176  0.886  1.0
  O  O13  1  0.835  0.404  0.623  1.0
  F  F14  1  0.137  0.927  0.752  1.0
  F  F15  1  0.863  0.073  0.248  1.0
[/CIF]
.