The structure described by Mg14LaNi crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of face, corner, and edge-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of face, corner, and edge-sharing MgMg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Mg(7), two equivalent La(1), and one Ni(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(7) atoms. In the fifth Mg site, Mg(5) is bonded in a 1-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(7), one La(1), and one Ni(1) atom. In the sixth Mg site, Mg(6) is bonded in a single-bond geometry to one Mg(1), two equivalent Mg(7), and one Ni(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one La(1) atom. La(1) is bonded in a 12-coordinate geometry to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ni(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Mg(6), four equivalent Mg(5), and two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.661
_cell_length_b   6.067
_cell_length_c   10.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.088
_symmetry_Int_Tables_number   1
_cell_volume   369.296
_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  0.113  0.806  0.125  1.0
  Mg  Mg1  1  0.156  0.328  0.625  1.0
  Mg  Mg2  1  0.167  0.833  0.625  1.0
  Mg  Mg3  1  0.603  0.313  0.125  1.0
  Mg  Mg4  1  0.661  0.326  0.625  1.0
  Mg  Mg5  1  0.603  0.790  0.125  1.0
  Mg  Mg6  1  0.661  0.836  0.625  1.0
  Mg  Mg7  1  0.349  0.178  0.378  1.0
  Mg  Mg8  1  0.349  0.178  0.872  1.0
  Mg  Mg9  1  0.349  0.671  0.378  1.0
  Mg  Mg10  1  0.349  0.671  0.872  1.0
  Mg  Mg11  1  0.886  0.193  0.328  1.0
  Mg  Mg12  1  0.886  0.193  0.922  1.0
  Mg  Mg13  1  0.830  0.665  0.393  1.0
  Mg  Mg14  1  0.830  0.665  0.857  1.0
  Ni  Ni15  1  0.209  0.354  0.125  1.0
[/CIF]
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The structure described by Mg14LaNi crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of face, corner, and edge-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of face, corner, and edge-sharing MgMg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Mg(7), two equivalent La(1), and one Ni(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(7) atoms. In the fifth Mg site, Mg(5) is bonded in a 1-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(7), one La(1), and one Ni(1) atom. In the sixth Mg site, Mg(6) is bonded in a single-bond geometry to one Mg(1), two equivalent Mg(7), and one Ni(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one La(1) atom. La(1) is bonded in a 12-coordinate geometry to two equivalent Mg(7), four equivalent Mg(3), four equivalent Mg(5), and two equivalent Ni(1) atoms. Ni(1) is bonded in a 10-coordinate geometry to two equivalent Mg(3), two equivalent Mg(6), four equivalent Mg(5), and two equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMg14Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.661
_cell_length_b   6.067
_cell_length_c   10.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.088
_symmetry_Int_Tables_number   1
_cell_volume   369.296
_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  0.113  0.806  0.125  1.0
  Mg  Mg1  1  0.156  0.328  0.625  1.0
  Mg  Mg2  1  0.167  0.833  0.625  1.0
  Mg  Mg3  1  0.603  0.313  0.125  1.0
  Mg  Mg4  1  0.661  0.326  0.625  1.0
  Mg  Mg5  1  0.603  0.790  0.125  1.0
  Mg  Mg6  1  0.661  0.836  0.625  1.0
  Mg  Mg7  1  0.349  0.178  0.378  1.0
  Mg  Mg8  1  0.349  0.178  0.872  1.0
  Mg  Mg9  1  0.349  0.671  0.378  1.0
  Mg  Mg10  1  0.349  0.671  0.872  1.0
  Mg  Mg11  1  0.886  0.193  0.328  1.0
  Mg  Mg12  1  0.886  0.193  0.922  1.0
  Mg  Mg13  1  0.830  0.665  0.393  1.0
  Mg  Mg14  1  0.830  0.665  0.857  1.0
  Ni  Ni15  1  0.209  0.354  0.125  1.0
[/CIF]
.