The structure described by Li2MgBr4 crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent Br(1) and four equivalent Br(2) atoms to form LiBr6 octahedra that share corners with six equivalent Li(1)Br6 octahedra, edges with four equivalent Li(1)Br6 octahedra, and edges with four equivalent Mg(1)Br6 octahedra. The corner-sharing octahedral tilt angles are 3°. Mg(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form MgBr6 octahedra that share edges with two equivalent Mg(1)Br6 octahedra and edges with eight equivalent Li(1)Br6 octahedra. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded to four equivalent Li(1) and one Mg(1) atom to form a mixture of corner and edge-sharing BrLi4Mg square pyramids. In the second Br site, Br(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MgBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.865
_cell_length_b   6.710
_cell_length_c   6.710
_cell_angle_alpha   109.441
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.097
_cell_formula_units_Z   1
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  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Br  Br3  1  0.500  0.240  0.240  1.0
  Br  Br4  1  0.500  0.760  0.760  1.0
  Br  Br5  1  0.000  0.243  0.757  1.0
  Br  Br6  1  0.000  0.757  0.243  1.0
[/CIF]
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The structure described by Li2MgBr4 crystallizes in the orthorhombic Cmmm space group. Li(1) is bonded to two equivalent Br(1) and four equivalent Br(2) atoms to form LiBr6 octahedra that share corners with six equivalent Li(1)Br6 octahedra, edges with four equivalent Li(1)Br6 octahedra, and edges with four equivalent Mg(1)Br6 octahedra. The corner-sharing octahedral tilt angles are 3°. Mg(1) is bonded to two equivalent Br(2) and four equivalent Br(1) atoms to form MgBr6 octahedra that share edges with two equivalent Mg(1)Br6 octahedra and edges with eight equivalent Li(1)Br6 octahedra. There are two inequivalent Br sites. In the first Br site, Br(2) is bonded to four equivalent Li(1) and one Mg(1) atom to form a mixture of corner and edge-sharing BrLi4Mg square pyramids. In the second Br site, Br(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2MgBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.865
_cell_length_b   6.710
_cell_length_c   6.710
_cell_angle_alpha   109.441
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.097
_cell_formula_units_Z   1
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  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Br  Br3  1  0.500  0.240  0.240  1.0
  Br  Br4  1  0.500  0.760  0.760  1.0
  Br  Br5  1  0.000  0.243  0.757  1.0
  Br  Br6  1  0.000  0.757  0.243  1.0
[/CIF]
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