The compound described by MgLa crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Mg(2), three equivalent Mg(3), one La(3), two equivalent La(1), and two equivalent La(2) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), one La(1), two equivalent La(2), and three equivalent La(3) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), one La(2), two equivalent La(1), and two equivalent La(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent La(1), two equivalent La(3), and three equivalent La(2) atoms. In the second La site, La(2) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent La(2), two equivalent La(3), and three equivalent La(1) atoms to form distorted LaLa7Mg5 cuboctahedra that share corners with six equivalent La(2)La7Mg5 cuboctahedra, edges with six equivalent La(3)La6Mg6 cuboctahedra, faces with two equivalent La(2)La7Mg5 cuboctahedra, and faces with three equivalent La(3)La6Mg6 cuboctahedra. In the third La site, La(3) is bonded to one Mg(1), two equivalent Mg(3), three equivalent Mg(2), two equivalent La(1), two equivalent La(2), and two equivalent La(3) atoms to form distorted LaLa6Mg6 cuboctahedra that share corners with six equivalent La(3)La6Mg6 cuboctahedra, edges with six equivalent La(2)La7Mg5 cuboctahedra, faces with two equivalent La(3)La6Mg6 cuboctahedra, and faces with three equivalent La(2)La7Mg5 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.528
_cell_length_b   6.528
_cell_length_c   8.386
_cell_angle_alpha   73.638
_cell_angle_beta   73.638
_cell_angle_gamma   32.453
_symmetry_Int_Tables_number   1
_cell_volume   183.355
_cell_formula_units_Z   3
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  0.616  0.616  0.248  1.0
  La  La1  1  0.321  0.321  0.352  1.0
  La  La2  1  0.958  0.958  0.603  1.0
  Mg  Mg3  1  0.993  0.993  0.994  1.0
  Mg  Mg4  1  0.665  0.665  0.709  1.0
  Mg  Mg5  1  0.280  0.280  0.928  1.0
[/CIF]
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The compound described by MgLa crystallizes in the monoclinic Cm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Mg(2), three equivalent Mg(3), one La(3), two equivalent La(1), and two equivalent La(2) atoms. In the second Mg site, Mg(2) is bonded in a 9-coordinate geometry to two equivalent Mg(1), two equivalent Mg(3), one La(1), two equivalent La(2), and three equivalent La(3) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), one La(2), two equivalent La(1), and two equivalent La(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(1), two equivalent Mg(3), two equivalent La(1), two equivalent La(3), and three equivalent La(2) atoms. In the second La site, La(2) is bonded to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent La(2), two equivalent La(3), and three equivalent La(1) atoms to form distorted LaLa7Mg5 cuboctahedra that share corners with six equivalent La(2)La7Mg5 cuboctahedra, edges with six equivalent La(3)La6Mg6 cuboctahedra, faces with two equivalent La(2)La7Mg5 cuboctahedra, and faces with three equivalent La(3)La6Mg6 cuboctahedra. In the third La site, La(3) is bonded to one Mg(1), two equivalent Mg(3), three equivalent Mg(2), two equivalent La(1), two equivalent La(2), and two equivalent La(3) atoms to form distorted LaLa6Mg6 cuboctahedra that share corners with six equivalent La(3)La6Mg6 cuboctahedra, edges with six equivalent La(2)La7Mg5 cuboctahedra, faces with two equivalent La(3)La6Mg6 cuboctahedra, and faces with three equivalent La(2)La7Mg5 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.528
_cell_length_b   6.528
_cell_length_c   8.386
_cell_angle_alpha   73.638
_cell_angle_beta   73.638
_cell_angle_gamma   32.453
_symmetry_Int_Tables_number   1
_cell_volume   183.355
_cell_formula_units_Z   3
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  0.616  0.616  0.248  1.0
  La  La1  1  0.321  0.321  0.352  1.0
  La  La2  1  0.958  0.958  0.603  1.0
  Mg  Mg3  1  0.993  0.993  0.994  1.0
  Mg  Mg4  1  0.665  0.665  0.709  1.0
  Mg  Mg5  1  0.280  0.280  0.928  1.0
[/CIF]
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