The material structure described by La2Ni2Mg crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one La(2), one La(4), three equivalent La(1), three equivalent La(3), one Ni(1), one Ni(2), and two equivalent Ni(3) atoms to form a mixture of distorted face and corner-sharing MgLa8Ni4 cuboctahedra. In the second Mg site, Mg(2) is bonded to one La(1), one La(3), three equivalent La(2), three equivalent La(4), one Ni(1), one Ni(2), and two equivalent Ni(4) atoms to form a mixture of distorted face and corner-sharing MgLa8Ni4 cuboctahedra. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one Mg(2), three equivalent Mg(1), one Ni(2), one Ni(4), two equivalent Ni(1), and two equivalent Ni(3) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one Mg(1), three equivalent Mg(2), one Ni(1), two equivalent Ni(2), and three equivalent Ni(4) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one Mg(2), three equivalent Mg(1), one Ni(2), two equivalent Ni(1), and three equivalent Ni(3) atoms. In the fourth La site, La(4) is bonded in a 6-coordinate geometry to one Mg(1), three equivalent Mg(2), one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Ni(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a 9-coordinate geometry to two equivalent Mg(1), one La(4), two equivalent La(1), three equivalent La(3), and one Ni(1) atom. In the second Ni site, Ni(4) is bonded in a 9-coordinate geometry to two equivalent Mg(2), one La(1), two equivalent La(4), three equivalent La(2), and one Ni(2) atom. In the third Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(2), one La(2), one La(4), two equivalent La(1), two equivalent La(3), and one Ni(3) atom. In the fourth Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(2), one La(1), one La(3), two equivalent La(2), two equivalent La(4), and one Ni(4) atom. is represented by the CIF file [CIF]
data_La2MgNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.648
_cell_length_b   7.653
_cell_length_c   7.886
_cell_angle_alpha   90.000
_cell_angle_beta   90.052
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.563
_cell_formula_units_Z   4
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  0.332  0.175  0.001  1.0
  La  La1  1  0.168  0.675  0.499  1.0
  La  La2  1  0.668  0.825  0.999  1.0
  La  La3  1  0.832  0.325  0.501  1.0
  La  La4  1  0.325  0.177  0.501  1.0
  La  La5  1  0.175  0.677  0.999  1.0
  La  La6  1  0.675  0.823  0.499  1.0
  La  La7  1  0.825  0.323  0.001  1.0
  Mg  Mg8  1  0.001  0.001  0.246  1.0
  Mg  Mg9  1  0.499  0.501  0.254  1.0
  Mg  Mg10  1  0.999  0.999  0.754  1.0
  Mg  Mg11  1  0.501  0.499  0.746  1.0
  Ni  Ni12  1  0.114  0.371  0.244  1.0
  Ni  Ni13  1  0.386  0.871  0.256  1.0
  Ni  Ni14  1  0.886  0.629  0.756  1.0
  Ni  Ni15  1  0.614  0.129  0.744  1.0
  Ni  Ni16  1  0.612  0.130  0.258  1.0
  Ni  Ni17  1  0.888  0.630  0.242  1.0
  Ni  Ni18  1  0.388  0.870  0.742  1.0
  Ni  Ni19  1  0.112  0.370  0.758  1.0
[/CIF]
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The material structure described by La2Ni2Mg crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one La(2), one La(4), three equivalent La(1), three equivalent La(3), one Ni(1), one Ni(2), and two equivalent Ni(3) atoms to form a mixture of distorted face and corner-sharing MgLa8Ni4 cuboctahedra. In the second Mg site, Mg(2) is bonded to one La(1), one La(3), three equivalent La(2), three equivalent La(4), one Ni(1), one Ni(2), and two equivalent Ni(4) atoms to form a mixture of distorted face and corner-sharing MgLa8Ni4 cuboctahedra. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one Mg(2), three equivalent Mg(1), one Ni(2), one Ni(4), two equivalent Ni(1), and two equivalent Ni(3) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one Mg(1), three equivalent Mg(2), one Ni(1), two equivalent Ni(2), and three equivalent Ni(4) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one Mg(2), three equivalent Mg(1), one Ni(2), two equivalent Ni(1), and three equivalent Ni(3) atoms. In the fourth La site, La(4) is bonded in a 6-coordinate geometry to one Mg(1), three equivalent Mg(2), one Ni(1), one Ni(3), two equivalent Ni(2), and two equivalent Ni(4) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a 9-coordinate geometry to two equivalent Mg(1), one La(4), two equivalent La(1), three equivalent La(3), and one Ni(1) atom. In the second Ni site, Ni(4) is bonded in a 9-coordinate geometry to two equivalent Mg(2), one La(1), two equivalent La(4), three equivalent La(2), and one Ni(2) atom. In the third Ni site, Ni(1) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(2), one La(2), one La(4), two equivalent La(1), two equivalent La(3), and one Ni(3) atom. In the fourth Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Mg(1), one Mg(2), one La(1), one La(3), two equivalent La(2), two equivalent La(4), and one Ni(4) atom. is represented by the CIF file [CIF]
data_La2MgNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.648
_cell_length_b   7.653
_cell_length_c   7.886
_cell_angle_alpha   90.000
_cell_angle_beta   90.052
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.563
_cell_formula_units_Z   4
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  0.332  0.175  0.001  1.0
  La  La1  1  0.168  0.675  0.499  1.0
  La  La2  1  0.668  0.825  0.999  1.0
  La  La3  1  0.832  0.325  0.501  1.0
  La  La4  1  0.325  0.177  0.501  1.0
  La  La5  1  0.175  0.677  0.999  1.0
  La  La6  1  0.675  0.823  0.499  1.0
  La  La7  1  0.825  0.323  0.001  1.0
  Mg  Mg8  1  0.001  0.001  0.246  1.0
  Mg  Mg9  1  0.499  0.501  0.254  1.0
  Mg  Mg10  1  0.999  0.999  0.754  1.0
  Mg  Mg11  1  0.501  0.499  0.746  1.0
  Ni  Ni12  1  0.114  0.371  0.244  1.0
  Ni  Ni13  1  0.386  0.871  0.256  1.0
  Ni  Ni14  1  0.886  0.629  0.756  1.0
  Ni  Ni15  1  0.614  0.129  0.744  1.0
  Ni  Ni16  1  0.612  0.130  0.258  1.0
  Ni  Ni17  1  0.888  0.630  0.242  1.0
  Ni  Ni18  1  0.388  0.870  0.742  1.0
  Ni  Ni19  1  0.112  0.370  0.758  1.0
[/CIF]
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