The material described by Mg6LaAl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and one Al(1) atom. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form MgMg10Al2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Al2 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Al2 cuboctahedra, and faces with six equivalent La(1)Mg10Al2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Al(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent La(1) atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent La(1)Mg10Al2 cuboctahedra, corners with six equivalent Mg(4)La2Mg10 cuboctahedra, edges with two equivalent La(1)Mg10Al2 cuboctahedra, edges with four equivalent Mg(2)Mg10Al2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Al2 cuboctahedra, and faces with two equivalent La(1)Mg10Al2 cuboctahedra. La(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form LaMg10Al2 cuboctahedra that share corners with four equivalent Mg(4)La2Mg10 cuboctahedra, corners with six equivalent La(1)Mg10Al2 cuboctahedra, edges with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent La(1)Mg10Al2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Al2 cuboctahedra. Al(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_LaMg6Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   6.685
_cell_length_c   6.685
_cell_angle_alpha   119.870
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.302
_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
  Al  Al0  1  0.000  0.165  0.835  1.0
  La  La1  1  0.500  0.326  0.674  1.0
  Mg  Mg2  1  1.000  0.685  0.842  1.0
  Mg  Mg3  1  0.000  0.158  0.315  1.0
  Mg  Mg4  1  0.000  0.667  0.333  1.0
  Mg  Mg5  1  0.500  0.840  0.678  1.0
  Mg  Mg6  1  0.500  0.322  0.160  1.0
  Mg  Mg7  1  0.500  0.836  0.164  1.0
[/CIF]
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The material described by Mg6LaAl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and one Al(1) atom. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form MgMg10Al2 cuboctahedra that share corners with six equivalent Mg(2)Mg10Al2 cuboctahedra, edges with four equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Al2 cuboctahedra, and faces with six equivalent La(1)Mg10Al2 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent La(1), and two equivalent Al(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent La(1) atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent La(1)Mg10Al2 cuboctahedra, corners with six equivalent Mg(4)La2Mg10 cuboctahedra, edges with two equivalent La(1)Mg10Al2 cuboctahedra, edges with four equivalent Mg(2)Mg10Al2 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(2)Mg10Al2 cuboctahedra, and faces with two equivalent La(1)Mg10Al2 cuboctahedra. La(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form LaMg10Al2 cuboctahedra that share corners with four equivalent Mg(4)La2Mg10 cuboctahedra, corners with six equivalent La(1)Mg10Al2 cuboctahedra, edges with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)La2Mg10 cuboctahedra, faces with two equivalent La(1)Mg10Al2 cuboctahedra, and faces with six equivalent Mg(2)Mg10Al2 cuboctahedra. Al(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), and two equivalent La(1) atoms. is represented by the CIF file [CIF]
data_LaMg6Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   6.685
_cell_length_c   6.685
_cell_angle_alpha   119.870
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.302
_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
  Al  Al0  1  0.000  0.165  0.835  1.0
  La  La1  1  0.500  0.326  0.674  1.0
  Mg  Mg2  1  1.000  0.685  0.842  1.0
  Mg  Mg3  1  0.000  0.158  0.315  1.0
  Mg  Mg4  1  0.000  0.667  0.333  1.0
  Mg  Mg5  1  0.500  0.840  0.678  1.0
  Mg  Mg6  1  0.500  0.322  0.160  1.0
  Mg  Mg7  1  0.500  0.836  0.164  1.0
[/CIF]
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