The structure described by LiMg2Al crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent Li(1), two equivalent Mg(1), and four equivalent Al(1) atoms to form distorted LiLi2Mg2Al4 hexagonal bipyramids that share corners with two equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; corners with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with four equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with eight equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(1), six equivalent Mg(1), and one Al(1) atom to form distorted MgLiMg6Al hexagonal bipyramids that share corners with eight equivalent Mg(1)LiMg6Al hexagonal bipyramids, edges with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids, edges with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids, and edges with twelve equivalent Mg(1)LiMg6Al hexagonal bipyramids. In the second Mg site, Mg(1) is bonded to one Li(1); six Mg(1,1); and one Al(1) atom to form distorted MgLiMg6Al hexagonal bipyramids that share corners with eight Mg(1,1)LiMg6Al hexagonal bipyramids; edges with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. Al(1) is bonded to four equivalent Li(1); two Mg(1,1); and two equivalent Al(1) atoms to form distorted AlLi4Mg2Al2 hexagonal bipyramids that share corners with two equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; corners with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; edges with four equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; edges with eight equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. is represented by the CIF card [CIF]
data_LiMg2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.614
_cell_length_b   6.614
_cell_length_c   6.614
_cell_angle_alpha   154.701
_cell_angle_beta   133.526
_cell_angle_gamma   53.646
_symmetry_Int_Tables_number   1
_cell_volume   89.230
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.748  0.748  0.000  1.0
  Mg  Mg2  1  0.252  0.252  0.000  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by LiMg2Al crystallizes in the orthorhombic Immm space group. Li(1) is bonded to two equivalent Li(1), two equivalent Mg(1), and four equivalent Al(1) atoms to form distorted LiLi2Mg2Al4 hexagonal bipyramids that share corners with two equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; corners with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with four equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with eight equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(1), six equivalent Mg(1), and one Al(1) atom to form distorted MgLiMg6Al hexagonal bipyramids that share corners with eight equivalent Mg(1)LiMg6Al hexagonal bipyramids, edges with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids, edges with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids, and edges with twelve equivalent Mg(1)LiMg6Al hexagonal bipyramids. In the second Mg site, Mg(1) is bonded to one Li(1); six Mg(1,1); and one Al(1) atom to form distorted MgLiMg6Al hexagonal bipyramids that share corners with eight Mg(1,1)LiMg6Al hexagonal bipyramids; edges with six equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; edges with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. Al(1) is bonded to four equivalent Li(1); two Mg(1,1); and two equivalent Al(1) atoms to form distorted AlLi4Mg2Al2 hexagonal bipyramids that share corners with two equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; corners with six equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; edges with four equivalent Al(1)Li4Mg2Al2 hexagonal bipyramids; edges with eight equivalent Li(1)Li2Mg2Al4 hexagonal bipyramids; and edges with twelve Mg(1,1)LiMg6Al hexagonal bipyramids. is represented by the CIF card [CIF]
data_LiMg2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.614
_cell_length_b   6.614
_cell_length_c   6.614
_cell_angle_alpha   154.701
_cell_angle_beta   133.526
_cell_angle_gamma   53.646
_symmetry_Int_Tables_number   1
_cell_volume   89.230
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.748  0.748  0.000  1.0
  Mg  Mg2  1  0.252  0.252  0.000  1.0
  Al  Al3  1  0.500  0.500  0.000  1.0
[/CIF]
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