The compound described by Mg14LaNi crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ni(1) atoms to form distorted MgMg10Ni2 cuboctahedra that share corners with four equivalent La(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Ni2 cuboctahedra, corners with eight equivalent Mg(2)La2Mg10 cuboctahedra, edges with two equivalent Ni(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Ni(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Mg10Ni2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent La(1) atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent Ni(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)La2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Mg10Ni2 cuboctahedra, edges with two equivalent La(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)La2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent La(1)Mg12 cuboctahedra, and faces with four equivalent Mg(2)La2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), one La(1), and one Ni(1) atom. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form distorted MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(2)La2Mg10 cuboctahedra, edges with six equivalent Mg(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(2)La2Mg10 cuboctahedra, faces with three equivalent Mg(1)Mg10Ni2 cuboctahedra, faces with three equivalent La(1)Mg12 cuboctahedra, and faces with three equivalent Ni(1)Mg12 cuboctahedra. La(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form LaMg12 cuboctahedra that share corners with six equivalent La(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Ni2 cuboctahedra, edges with six equivalent Mg(2)La2Mg10 cuboctahedra, faces with two equivalent Ni(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)La2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Ni(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form NiMg12 cuboctahedra that share corners with six equivalent Ni(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)La2Mg10 cuboctahedra, edges with six equivalent Mg(1)Mg10Ni2 cuboctahedra, faces with two equivalent La(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg10Ni2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.473
_cell_length_c   10.233
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   371.275
_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  0.167  0.333  0.625  1.0
  Mg  Mg1  1  0.158  0.829  0.125  1.0
  Mg  Mg2  1  0.184  0.842  0.625  1.0
  Mg  Mg3  1  0.671  0.342  0.125  1.0
  Mg  Mg4  1  0.658  0.316  0.625  1.0
  Mg  Mg5  1  0.671  0.829  0.125  1.0
  Mg  Mg6  1  0.658  0.842  0.625  1.0
  Mg  Mg7  1  0.328  0.172  0.352  1.0
  Mg  Mg8  1  0.328  0.172  0.898  1.0
  Mg  Mg9  1  0.328  0.656  0.352  1.0
  Mg  Mg10  1  0.328  0.656  0.898  1.0
  Mg  Mg11  1  0.844  0.172  0.352  1.0
  Mg  Mg12  1  0.844  0.172  0.898  1.0
  Mg  Mg13  1  0.833  0.667  0.388  1.0
  Mg  Mg14  1  0.833  0.667  0.862  1.0
  Ni  Ni15  1  0.167  0.333  0.125  1.0
[/CIF]
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The compound described by Mg14LaNi crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Ni(1) atoms to form distorted MgMg10Ni2 cuboctahedra that share corners with four equivalent La(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Ni2 cuboctahedra, corners with eight equivalent Mg(2)La2Mg10 cuboctahedra, edges with two equivalent Ni(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Ni2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(2)La2Mg10 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Ni(1)Mg12 cuboctahedra, and faces with four equivalent Mg(1)Mg10Ni2 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent La(1) atoms to form distorted MgLa2Mg10 cuboctahedra that share corners with four equivalent Ni(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)La2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Mg10Ni2 cuboctahedra, edges with two equivalent La(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)La2Mg10 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Mg(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent La(1)Mg12 cuboctahedra, and faces with four equivalent Mg(2)La2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), one La(1), and one Ni(1) atom. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form distorted MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, edges with six equivalent Mg(2)La2Mg10 cuboctahedra, edges with six equivalent Mg(1)Mg10Ni2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(2)La2Mg10 cuboctahedra, faces with three equivalent Mg(1)Mg10Ni2 cuboctahedra, faces with three equivalent La(1)Mg12 cuboctahedra, and faces with three equivalent Ni(1)Mg12 cuboctahedra. La(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form LaMg12 cuboctahedra that share corners with six equivalent La(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Ni2 cuboctahedra, edges with six equivalent Mg(2)La2Mg10 cuboctahedra, faces with two equivalent Ni(1)Mg12 cuboctahedra, faces with six equivalent Mg(2)La2Mg10 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Ni(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form NiMg12 cuboctahedra that share corners with six equivalent Ni(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)La2Mg10 cuboctahedra, edges with six equivalent Mg(1)Mg10Ni2 cuboctahedra, faces with two equivalent La(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg10Ni2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.473
_cell_length_b   6.473
_cell_length_c   10.233
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   371.275
_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  0.167  0.333  0.625  1.0
  Mg  Mg1  1  0.158  0.829  0.125  1.0
  Mg  Mg2  1  0.184  0.842  0.625  1.0
  Mg  Mg3  1  0.671  0.342  0.125  1.0
  Mg  Mg4  1  0.658  0.316  0.625  1.0
  Mg  Mg5  1  0.671  0.829  0.125  1.0
  Mg  Mg6  1  0.658  0.842  0.625  1.0
  Mg  Mg7  1  0.328  0.172  0.352  1.0
  Mg  Mg8  1  0.328  0.172  0.898  1.0
  Mg  Mg9  1  0.328  0.656  0.352  1.0
  Mg  Mg10  1  0.328  0.656  0.898  1.0
  Mg  Mg11  1  0.844  0.172  0.352  1.0
  Mg  Mg12  1  0.844  0.172  0.898  1.0
  Mg  Mg13  1  0.833  0.667  0.388  1.0
  Mg  Mg14  1  0.833  0.667  0.862  1.0
  Ni  Ni15  1  0.167  0.333  0.125  1.0
[/CIF]
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