The material structure described by Tm4NiMg crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Tm(1), three equivalent Tm(2), and three equivalent Tm(3) atoms to form a mixture of face and corner-sharing MgTm9Mg3 cuboctahedra. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1), three equivalent Tm(3), and three equivalent Ni(1) atoms. In the second Tm site, Tm(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1), four equivalent Tm(3), and two equivalent Ni(1) atoms. In the third Tm site, Tm(3) is bonded in a 14-coordinate geometry to two equivalent Mg(1), two equivalent Tm(1), four equivalent Tm(2), four equivalent Tm(3), and two equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Tm(1), three equivalent Tm(2), and three equivalent Tm(3) atoms. is represented by the CIF file [CIF]
data_Tm4MgNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.456
_cell_length_b   9.456
_cell_length_c   9.456
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   597.945
_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
  Tm  Tm0  1  0.595  0.596  0.596  1.0
  Tm  Tm1  1  0.595  0.596  0.214  1.0
  Tm  Tm2  1  0.595  0.213  0.596  1.0
  Tm  Tm3  1  0.213  0.596  0.596  1.0
  Tm  Tm4  1  0.063  0.437  0.437  1.0
  Tm  Tm5  1  0.437  0.063  0.063  1.0
  Tm  Tm6  1  0.437  0.063  0.437  1.0
  Tm  Tm7  1  0.063  0.437  0.063  1.0
  Tm  Tm8  1  0.437  0.437  0.063  1.0
  Tm  Tm9  1  0.063  0.063  0.437  1.0
  Tm  Tm10  1  0.186  0.814  0.814  1.0
  Tm  Tm11  1  0.814  0.186  0.186  1.0
  Tm  Tm12  1  0.814  0.186  0.814  1.0
  Tm  Tm13  1  0.186  0.814  0.186  1.0
  Tm  Tm14  1  0.814  0.814  0.186  1.0
  Tm  Tm15  1  0.186  0.186  0.814  1.0
  Mg  Mg16  1  0.829  0.829  0.829  1.0
  Mg  Mg17  1  0.829  0.829  0.513  1.0
  Mg  Mg18  1  0.829  0.513  0.829  1.0
  Mg  Mg19  1  0.513  0.829  0.829  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]
.
The material structure described by Tm4NiMg crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Tm(1), three equivalent Tm(2), and three equivalent Tm(3) atoms to form a mixture of face and corner-sharing MgTm9Mg3 cuboctahedra. There are three inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1), three equivalent Tm(3), and three equivalent Ni(1) atoms. In the second Tm site, Tm(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1), four equivalent Tm(3), and two equivalent Ni(1) atoms. In the third Tm site, Tm(3) is bonded in a 14-coordinate geometry to two equivalent Mg(1), two equivalent Tm(1), four equivalent Tm(2), four equivalent Tm(3), and two equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Tm(1), three equivalent Tm(2), and three equivalent Tm(3) atoms. is represented by the CIF file [CIF]
data_Tm4MgNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.456
_cell_length_b   9.456
_cell_length_c   9.456
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   597.945
_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
  Tm  Tm0  1  0.595  0.596  0.596  1.0
  Tm  Tm1  1  0.595  0.596  0.214  1.0
  Tm  Tm2  1  0.595  0.213  0.596  1.0
  Tm  Tm3  1  0.213  0.596  0.596  1.0
  Tm  Tm4  1  0.063  0.437  0.437  1.0
  Tm  Tm5  1  0.437  0.063  0.063  1.0
  Tm  Tm6  1  0.437  0.063  0.437  1.0
  Tm  Tm7  1  0.063  0.437  0.063  1.0
  Tm  Tm8  1  0.437  0.437  0.063  1.0
  Tm  Tm9  1  0.063  0.063  0.437  1.0
  Tm  Tm10  1  0.186  0.814  0.814  1.0
  Tm  Tm11  1  0.814  0.186  0.186  1.0
  Tm  Tm12  1  0.814  0.186  0.814  1.0
  Tm  Tm13  1  0.186  0.814  0.186  1.0
  Tm  Tm14  1  0.814  0.814  0.186  1.0
  Tm  Tm15  1  0.186  0.186  0.814  1.0
  Mg  Mg16  1  0.829  0.829  0.829  1.0
  Mg  Mg17  1  0.829  0.829  0.513  1.0
  Mg  Mg18  1  0.829  0.513  0.829  1.0
  Mg  Mg19  1  0.513  0.829  0.829  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]
.