The material described by Li(Mg4Al3)4 crystallizes in the cubic I-43m space group. Li(1) is bonded in a 16-coordinate geometry to four equivalent Mg(2) and twelve equivalent Al(1) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to one Mg(2), six equivalent Mg(1), and five equivalent Al(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Li(1), three equivalent Mg(1), and six equivalent Al(1) atoms. Al(1) is bonded in a 11-coordinate geometry to one Li(1), two equivalent Mg(2), five equivalent Mg(1), and three equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Li(Mg4Al3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.111
_cell_length_b   9.111
_cell_length_c   9.111
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   582.154
_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  0.714  0.315  0.315  1.0
  Mg  Mg2  1  0.338  0.338  0.338  1.0
  Mg  Mg3  1  0.286  0.601  0.601  1.0
  Mg  Mg4  1  0.662  0.000  0.000  1.0
  Mg  Mg5  1  0.000  0.685  0.399  1.0
  Mg  Mg6  1  0.601  0.601  0.286  1.0
  Mg  Mg7  1  0.399  0.000  0.685  1.0
  Mg  Mg8  1  0.000  0.000  0.662  1.0
  Mg  Mg9  1  0.315  0.714  0.315  1.0
  Mg  Mg10  1  0.685  0.399  0.000  1.0
  Mg  Mg11  1  0.685  0.000  0.399  1.0
  Mg  Mg12  1  0.315  0.315  0.714  1.0
  Mg  Mg13  1  0.000  0.662  0.000  1.0
  Mg  Mg14  1  0.399  0.685  0.000  1.0
  Mg  Mg15  1  0.601  0.286  0.601  1.0
  Mg  Mg16  1  0.000  0.399  0.685  1.0
  Al  Al17  1  0.181  0.814  0.814  1.0
  Al  Al18  1  0.819  0.632  0.632  1.0
  Al  Al19  1  0.000  0.368  0.186  1.0
  Al  Al20  1  0.632  0.819  0.632  1.0
  Al  Al21  1  0.368  0.186  0.000  1.0
  Al  Al22  1  0.814  0.181  0.814  1.0
  Al  Al23  1  0.186  0.368  0.000  1.0
  Al  Al24  1  0.814  0.814  0.181  1.0
  Al  Al25  1  0.186  0.000  0.368  1.0
  Al  Al26  1  0.368  0.000  0.186  1.0
  Al  Al27  1  0.632  0.632  0.819  1.0
  Al  Al28  1  0.000  0.186  0.368  1.0
[/CIF]
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The material described by Li(Mg4Al3)4 crystallizes in the cubic I-43m space group. Li(1) is bonded in a 16-coordinate geometry to four equivalent Mg(2) and twelve equivalent Al(1) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 12-coordinate geometry to one Mg(2), six equivalent Mg(1), and five equivalent Al(1) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Li(1), three equivalent Mg(1), and six equivalent Al(1) atoms. Al(1) is bonded in a 11-coordinate geometry to one Li(1), two equivalent Mg(2), five equivalent Mg(1), and three equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Li(Mg4Al3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.111
_cell_length_b   9.111
_cell_length_c   9.111
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   582.154
_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  0.714  0.315  0.315  1.0
  Mg  Mg2  1  0.338  0.338  0.338  1.0
  Mg  Mg3  1  0.286  0.601  0.601  1.0
  Mg  Mg4  1  0.662  0.000  0.000  1.0
  Mg  Mg5  1  0.000  0.685  0.399  1.0
  Mg  Mg6  1  0.601  0.601  0.286  1.0
  Mg  Mg7  1  0.399  0.000  0.685  1.0
  Mg  Mg8  1  0.000  0.000  0.662  1.0
  Mg  Mg9  1  0.315  0.714  0.315  1.0
  Mg  Mg10  1  0.685  0.399  0.000  1.0
  Mg  Mg11  1  0.685  0.000  0.399  1.0
  Mg  Mg12  1  0.315  0.315  0.714  1.0
  Mg  Mg13  1  0.000  0.662  0.000  1.0
  Mg  Mg14  1  0.399  0.685  0.000  1.0
  Mg  Mg15  1  0.601  0.286  0.601  1.0
  Mg  Mg16  1  0.000  0.399  0.685  1.0
  Al  Al17  1  0.181  0.814  0.814  1.0
  Al  Al18  1  0.819  0.632  0.632  1.0
  Al  Al19  1  0.000  0.368  0.186  1.0
  Al  Al20  1  0.632  0.819  0.632  1.0
  Al  Al21  1  0.368  0.186  0.000  1.0
  Al  Al22  1  0.814  0.181  0.814  1.0
  Al  Al23  1  0.186  0.368  0.000  1.0
  Al  Al24  1  0.814  0.814  0.181  1.0
  Al  Al25  1  0.186  0.000  0.368  1.0
  Al  Al26  1  0.368  0.000  0.186  1.0
  Al  Al27  1  0.632  0.632  0.819  1.0
  Al  Al28  1  0.000  0.186  0.368  1.0
[/CIF]
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