The compound described by Li3(Mg2Si)4 crystallizes in the cubic Pm-3m space group. Li(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. Mg(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Si(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. In the second Si site, Si(2) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Li3(Mg2Si)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.576
_cell_length_b   6.576
_cell_length_c   6.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.366
_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  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Mg  Mg3  1  0.254  0.254  0.254  1.0
  Mg  Mg4  1  0.746  0.746  0.254  1.0
  Mg  Mg5  1  0.746  0.254  0.746  1.0
  Mg  Mg6  1  0.254  0.746  0.746  1.0
  Mg  Mg7  1  0.254  0.254  0.746  1.0
  Mg  Mg8  1  0.746  0.746  0.746  1.0
  Mg  Mg9  1  0.746  0.254  0.254  1.0
  Mg  Mg10  1  0.254  0.746  0.254  1.0
  Si  Si11  1  0.000  0.000  0.000  1.0
  Si  Si12  1  0.000  0.500  0.500  1.0
  Si  Si13  1  0.500  0.000  0.500  1.0
  Si  Si14  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Li3(Mg2Si)4 crystallizes in the cubic Pm-3m space group. Li(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. Mg(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), one Si(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. In the second Si site, Si(2) is bonded in a body-centered cubic geometry to eight equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Li3(Mg2Si)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.576
_cell_length_b   6.576
_cell_length_c   6.576
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   284.366
_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  0.000  0.000  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Mg  Mg3  1  0.254  0.254  0.254  1.0
  Mg  Mg4  1  0.746  0.746  0.254  1.0
  Mg  Mg5  1  0.746  0.254  0.746  1.0
  Mg  Mg6  1  0.254  0.746  0.746  1.0
  Mg  Mg7  1  0.254  0.254  0.746  1.0
  Mg  Mg8  1  0.746  0.746  0.746  1.0
  Mg  Mg9  1  0.746  0.254  0.254  1.0
  Mg  Mg10  1  0.254  0.746  0.254  1.0
  Si  Si11  1  0.000  0.000  0.000  1.0
  Si  Si12  1  0.000  0.500  0.500  1.0
  Si  Si13  1  0.500  0.000  0.500  1.0
  Si  Si14  1  0.500  0.500  0.000  1.0
[/CIF]
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