The crystal structure described by Lu4NiMg crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Lu(1), three equivalent Lu(2), and three equivalent Lu(3) atoms to form a mixture of face and corner-sharing MgLu9Mg3 cuboctahedra. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1), three equivalent Lu(3), and three equivalent Ni(1) atoms. In the second Lu site, Lu(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1), four equivalent Lu(3), and two equivalent Ni(1) atoms. In the third Lu site, Lu(3) is bonded in a 14-coordinate geometry to two equivalent Mg(1), two equivalent Lu(1), four equivalent Lu(2), four equivalent Lu(3), and two equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), and three equivalent Lu(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu4MgNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.408
_cell_length_b   9.408
_cell_length_c   9.408
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   588.763
_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
  Lu  Lu0  1  0.596  0.596  0.596  1.0
  Lu  Lu1  1  0.596  0.596  0.212  1.0
  Lu  Lu2  1  0.596  0.212  0.596  1.0
  Lu  Lu3  1  0.212  0.596  0.596  1.0
  Lu  Lu4  1  0.063  0.437  0.437  1.0
  Lu  Lu5  1  0.437  0.063  0.063  1.0
  Lu  Lu6  1  0.437  0.063  0.437  1.0
  Lu  Lu7  1  0.063  0.437  0.063  1.0
  Lu  Lu8  1  0.437  0.437  0.063  1.0
  Lu  Lu9  1  0.063  0.063  0.437  1.0
  Lu  Lu10  1  0.186  0.814  0.814  1.0
  Lu  Lu11  1  0.814  0.186  0.186  1.0
  Lu  Lu12  1  0.814  0.186  0.814  1.0
  Lu  Lu13  1  0.186  0.814  0.186  1.0
  Lu  Lu14  1  0.814  0.814  0.186  1.0
  Lu  Lu15  1  0.186  0.186  0.814  1.0
  Mg  Mg16  1  0.830  0.830  0.830  1.0
  Mg  Mg17  1  0.830  0.830  0.510  1.0
  Mg  Mg18  1  0.830  0.510  0.830  1.0
  Mg  Mg19  1  0.510  0.830  0.830  1.0
  Ni  Ni20  1  0.392  0.392  0.392  1.0
  Ni  Ni21  1  0.392  0.392  0.824  1.0
  Ni  Ni22  1  0.392  0.824  0.392  1.0
  Ni  Ni23  1  0.824  0.392  0.392  1.0
[/CIF]
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The crystal structure described by Lu4NiMg crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Lu(1), three equivalent Lu(2), and three equivalent Lu(3) atoms to form a mixture of face and corner-sharing MgLu9Mg3 cuboctahedra. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1), three equivalent Lu(3), and three equivalent Ni(1) atoms. In the second Lu site, Lu(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1), four equivalent Lu(3), and two equivalent Ni(1) atoms. In the third Lu site, Lu(3) is bonded in a 14-coordinate geometry to two equivalent Mg(1), two equivalent Lu(1), four equivalent Lu(2), four equivalent Lu(3), and two equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Lu(1), three equivalent Lu(2), and three equivalent Lu(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu4MgNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.408
_cell_length_b   9.408
_cell_length_c   9.408
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   588.763
_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
  Lu  Lu0  1  0.596  0.596  0.596  1.0
  Lu  Lu1  1  0.596  0.596  0.212  1.0
  Lu  Lu2  1  0.596  0.212  0.596  1.0
  Lu  Lu3  1  0.212  0.596  0.596  1.0
  Lu  Lu4  1  0.063  0.437  0.437  1.0
  Lu  Lu5  1  0.437  0.063  0.063  1.0
  Lu  Lu6  1  0.437  0.063  0.437  1.0
  Lu  Lu7  1  0.063  0.437  0.063  1.0
  Lu  Lu8  1  0.437  0.437  0.063  1.0
  Lu  Lu9  1  0.063  0.063  0.437  1.0
  Lu  Lu10  1  0.186  0.814  0.814  1.0
  Lu  Lu11  1  0.814  0.186  0.186  1.0
  Lu  Lu12  1  0.814  0.186  0.814  1.0
  Lu  Lu13  1  0.186  0.814  0.186  1.0
  Lu  Lu14  1  0.814  0.814  0.186  1.0
  Lu  Lu15  1  0.186  0.186  0.814  1.0
  Mg  Mg16  1  0.830  0.830  0.830  1.0
  Mg  Mg17  1  0.830  0.830  0.510  1.0
  Mg  Mg18  1  0.830  0.510  0.830  1.0
  Mg  Mg19  1  0.510  0.830  0.830  1.0
  Ni  Ni20  1  0.392  0.392  0.392  1.0
  Ni  Ni21  1  0.392  0.392  0.824  1.0
  Ni  Ni22  1  0.392  0.824  0.392  1.0
  Ni  Ni23  1  0.824  0.392  0.392  1.0
[/CIF]
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