The material described by MgTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve equivalent Tb(1) atoms to form MgTb12 cuboctahedra that share corners with six equivalent Mg(1)Tb12 cuboctahedra, corners with twelve equivalent Tb(1)Tb8Mg4 cuboctahedra, edges with eighteen equivalent Tb(1)Tb8Mg4 cuboctahedra, faces with eight equivalent Mg(1)Tb12 cuboctahedra, and faces with twelve equivalent Tb(1)Tb8Mg4 cuboctahedra. Tb(1) is bonded to four equivalent Mg(1) and eight equivalent Tb(1) atoms to form distorted TbTb8Mg4 cuboctahedra that share corners with four equivalent Mg(1)Tb12 cuboctahedra, corners with fourteen equivalent Tb(1)Tb8Mg4 cuboctahedra, edges with six equivalent Mg(1)Tb12 cuboctahedra, edges with twelve equivalent Tb(1)Tb8Mg4 cuboctahedra, faces with four equivalent Mg(1)Tb12 cuboctahedra, and faces with sixteen equivalent Tb(1)Tb8Mg4 cuboctahedra. is represented by the CIF file [CIF]
data_Tb3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.048
_cell_length_b   7.048
_cell_length_c   5.535
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   238.115
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.171  0.342  0.250  1.0
  Tb  Tb1  1  0.658  0.829  0.250  1.0
  Tb  Tb2  1  0.171  0.829  0.250  1.0
  Tb  Tb3  1  0.829  0.171  0.750  1.0
  Tb  Tb4  1  0.342  0.171  0.750  1.0
  Tb  Tb5  1  0.829  0.658  0.750  1.0
  Mg  Mg6  1  0.667  0.333  0.250  1.0
  Mg  Mg7  1  0.333  0.667  0.750  1.0
[/CIF]
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The material described by MgTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve equivalent Tb(1) atoms to form MgTb12 cuboctahedra that share corners with six equivalent Mg(1)Tb12 cuboctahedra, corners with twelve equivalent Tb(1)Tb8Mg4 cuboctahedra, edges with eighteen equivalent Tb(1)Tb8Mg4 cuboctahedra, faces with eight equivalent Mg(1)Tb12 cuboctahedra, and faces with twelve equivalent Tb(1)Tb8Mg4 cuboctahedra. Tb(1) is bonded to four equivalent Mg(1) and eight equivalent Tb(1) atoms to form distorted TbTb8Mg4 cuboctahedra that share corners with four equivalent Mg(1)Tb12 cuboctahedra, corners with fourteen equivalent Tb(1)Tb8Mg4 cuboctahedra, edges with six equivalent Mg(1)Tb12 cuboctahedra, edges with twelve equivalent Tb(1)Tb8Mg4 cuboctahedra, faces with four equivalent Mg(1)Tb12 cuboctahedra, and faces with sixteen equivalent Tb(1)Tb8Mg4 cuboctahedra. is represented by the CIF file [CIF]
data_Tb3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.048
_cell_length_b   7.048
_cell_length_c   5.535
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   238.115
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.171  0.342  0.250  1.0
  Tb  Tb1  1  0.658  0.829  0.250  1.0
  Tb  Tb2  1  0.171  0.829  0.250  1.0
  Tb  Tb3  1  0.829  0.171  0.750  1.0
  Tb  Tb4  1  0.342  0.171  0.750  1.0
  Tb  Tb5  1  0.829  0.658  0.750  1.0
  Mg  Mg6  1  0.667  0.333  0.250  1.0
  Mg  Mg7  1  0.333  0.667  0.750  1.0
[/CIF]
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