The crystal structure described by MgTm3 crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Tm(1) atoms. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Mg(1), four equivalent Tm(1), and four equivalent Tm(2) atoms to form distorted TmTm8Mg4 cuboctahedra that share corners with twelve equivalent Tm(1)Tm8Mg4 cuboctahedra, edges with eight equivalent Tm(2)Tm12 cuboctahedra, edges with eight equivalent Tm(1)Tm8Mg4 cuboctahedra, faces with four equivalent Tm(2)Tm12 cuboctahedra, and faces with ten equivalent Tm(1)Tm8Mg4 cuboctahedra. In the second Tm site, Tm(2) is bonded to four equivalent Tm(2) and eight equivalent Tm(1) atoms to form TmTm12 cuboctahedra that share corners with four equivalent Tm(2)Tm12 cuboctahedra, edges with sixteen equivalent Tm(1)Tm8Mg4 cuboctahedra, faces with eight equivalent Tm(2)Tm12 cuboctahedra, and faces with eight equivalent Tm(1)Tm8Mg4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.520
_cell_length_b   3.520
_cell_length_c   9.204
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.036
_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
  Tm  Tm0  1  0.500  0.500  0.762  1.0
  Tm  Tm1  1  0.000  0.000  0.500  1.0
  Tm  Tm2  1  0.500  0.500  0.238  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by MgTm3 crystallizes in the tetragonal P4/mmm space group. Mg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Tm(1) atoms. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Mg(1), four equivalent Tm(1), and four equivalent Tm(2) atoms to form distorted TmTm8Mg4 cuboctahedra that share corners with twelve equivalent Tm(1)Tm8Mg4 cuboctahedra, edges with eight equivalent Tm(2)Tm12 cuboctahedra, edges with eight equivalent Tm(1)Tm8Mg4 cuboctahedra, faces with four equivalent Tm(2)Tm12 cuboctahedra, and faces with ten equivalent Tm(1)Tm8Mg4 cuboctahedra. In the second Tm site, Tm(2) is bonded to four equivalent Tm(2) and eight equivalent Tm(1) atoms to form TmTm12 cuboctahedra that share corners with four equivalent Tm(2)Tm12 cuboctahedra, edges with sixteen equivalent Tm(1)Tm8Mg4 cuboctahedra, faces with eight equivalent Tm(2)Tm12 cuboctahedra, and faces with eight equivalent Tm(1)Tm8Mg4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tm3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.520
_cell_length_b   3.520
_cell_length_c   9.204
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   114.036
_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
  Tm  Tm0  1  0.500  0.500  0.762  1.0
  Tm  Tm1  1  0.000  0.000  0.500  1.0
  Tm  Tm2  1  0.500  0.500  0.238  1.0
  Mg  Mg3  1  0.000  0.000  0.000  1.0
[/CIF]
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