The material described by LaMg3 is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(1), four equivalent Mg(2), and four equivalent La(1) atoms to form MgLa4Mg8 cuboctahedra that share corners with twelve equivalent Mg(1)La4Mg8 cuboctahedra, edges with eight equivalent Mg(1)La4Mg8 cuboctahedra, edges with eight equivalent Mg(2)La4Mg8 cuboctahedra, edges with eight equivalent La(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)La4Mg8 cuboctahedra, faces with four equivalent La(1)Mg12 cuboctahedra, and faces with ten equivalent Mg(1)La4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to eight equivalent Mg(1) and four equivalent La(1) atoms to form distorted MgLa4Mg8 cuboctahedra that share corners with twelve equivalent Mg(2)La4Mg8 cuboctahedra, edges with eight equivalent La(1)Mg12 cuboctahedra, edges with sixteen equivalent Mg(1)La4Mg8 cuboctahedra, faces with four equivalent La(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)La4Mg8 cuboctahedra, and faces with eight equivalent Mg(1)La4Mg8 cuboctahedra. La(1) is bonded to four equivalent Mg(2) and eight equivalent Mg(1) atoms to form LaMg12 cuboctahedra that share corners with twelve equivalent La(1)Mg12 cuboctahedra, edges with eight equivalent Mg(2)La4Mg8 cuboctahedra, edges with sixteen equivalent Mg(1)La4Mg8 cuboctahedra, faces with four equivalent Mg(2)La4Mg8 cuboctahedra, faces with six equivalent La(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(1)La4Mg8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.753
_cell_length_b   4.753
_cell_length_c   4.967
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.190
_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  0.500  0.000  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
[/CIF]
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The material described by LaMg3 is Uranium Silicide structured and crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to four equivalent Mg(1), four equivalent Mg(2), and four equivalent La(1) atoms to form MgLa4Mg8 cuboctahedra that share corners with twelve equivalent Mg(1)La4Mg8 cuboctahedra, edges with eight equivalent Mg(1)La4Mg8 cuboctahedra, edges with eight equivalent Mg(2)La4Mg8 cuboctahedra, edges with eight equivalent La(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)La4Mg8 cuboctahedra, faces with four equivalent La(1)Mg12 cuboctahedra, and faces with ten equivalent Mg(1)La4Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to eight equivalent Mg(1) and four equivalent La(1) atoms to form distorted MgLa4Mg8 cuboctahedra that share corners with twelve equivalent Mg(2)La4Mg8 cuboctahedra, edges with eight equivalent La(1)Mg12 cuboctahedra, edges with sixteen equivalent Mg(1)La4Mg8 cuboctahedra, faces with four equivalent La(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)La4Mg8 cuboctahedra, and faces with eight equivalent Mg(1)La4Mg8 cuboctahedra. La(1) is bonded to four equivalent Mg(2) and eight equivalent Mg(1) atoms to form LaMg12 cuboctahedra that share corners with twelve equivalent La(1)Mg12 cuboctahedra, edges with eight equivalent Mg(2)La4Mg8 cuboctahedra, edges with sixteen equivalent Mg(1)La4Mg8 cuboctahedra, faces with four equivalent Mg(2)La4Mg8 cuboctahedra, faces with six equivalent La(1)Mg12 cuboctahedra, and faces with eight equivalent Mg(1)La4Mg8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.753
_cell_length_b   4.753
_cell_length_c   4.967
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   112.190
_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  0.500  0.000  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
[/CIF]
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