The material structure described by LaMg12 crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), four equivalent Mg(2), four equivalent Mg(3), and two equivalent La(1) atoms to form a mixture of distorted edge, corner, and face-sharing MgLa2Mg10 cuboctahedra. In the second Mg site, Mg(3) is bonded in a distorted q6 geometry to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms. In the third Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(2), four equivalent Mg(1), four equivalent Mg(3), and one La(1) atom. La(1) is bonded in a 20-coordinate geometry to four equivalent Mg(2), eight equivalent Mg(1), and eight equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMg12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.845
_cell_length_b   7.845
_cell_length_c   7.845
_cell_angle_alpha   98.195
_cell_angle_beta   98.195
_cell_angle_gamma   135.637
_symmetry_Int_Tables_number   1
_cell_volume   312.567
_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
  La  La0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.500  0.000  0.000  1.0
  Mg  Mg4  1  0.000  0.500  0.000  1.0
  Mg  Mg5  1  0.000  0.352  0.352  1.0
  Mg  Mg6  1  0.000  0.648  0.648  1.0
  Mg  Mg7  1  0.648  0.000  0.648  1.0
  Mg  Mg8  1  0.352  0.000  0.352  1.0
  Mg  Mg9  1  0.500  0.286  0.786  1.0
  Mg  Mg10  1  0.500  0.714  0.214  1.0
  Mg  Mg11  1  0.714  0.500  0.214  1.0
  Mg  Mg12  1  0.286  0.500  0.786  1.0
[/CIF]
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The material structure described by LaMg12 crystallizes in the tetragonal I4/mmm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), four equivalent Mg(2), four equivalent Mg(3), and two equivalent La(1) atoms to form a mixture of distorted edge, corner, and face-sharing MgLa2Mg10 cuboctahedra. In the second Mg site, Mg(3) is bonded in a distorted q6 geometry to two equivalent Mg(3), four equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms. In the third Mg site, Mg(2) is bonded in a 10-coordinate geometry to one Mg(2), four equivalent Mg(1), four equivalent Mg(3), and one La(1) atom. La(1) is bonded in a 20-coordinate geometry to four equivalent Mg(2), eight equivalent Mg(1), and eight equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMg12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.845
_cell_length_b   7.845
_cell_length_c   7.845
_cell_angle_alpha   98.195
_cell_angle_beta   98.195
_cell_angle_gamma   135.637
_symmetry_Int_Tables_number   1
_cell_volume   312.567
_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
  La  La0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.000  0.000  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  0.500  0.000  0.000  1.0
  Mg  Mg4  1  0.000  0.500  0.000  1.0
  Mg  Mg5  1  0.000  0.352  0.352  1.0
  Mg  Mg6  1  0.000  0.648  0.648  1.0
  Mg  Mg7  1  0.648  0.000  0.648  1.0
  Mg  Mg8  1  0.352  0.000  0.352  1.0
  Mg  Mg9  1  0.500  0.286  0.786  1.0
  Mg  Mg10  1  0.500  0.714  0.214  1.0
  Mg  Mg11  1  0.714  0.500  0.214  1.0
  Mg  Mg12  1  0.286  0.500  0.786  1.0
[/CIF]
.