The material structure described by MgSm5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six equivalent Sm(1) and six equivalent Sm(2) atoms to form MgSm12 cuboctahedra that share corners with six equivalent Mg(1)Sm12 cuboctahedra, corners with twelve equivalent Sm(2)Sm9Mg3 cuboctahedra, edges with six equivalent Mg(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(2)Sm9Mg3 cuboctahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), four equivalent Sm(1), and four equivalent Sm(2) atoms. In the second Sm site, Sm(2) is bonded to three equivalent Mg(1), three equivalent Sm(2), and six equivalent Sm(1) atoms to form distorted SmSm9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Sm12 cuboctahedra, corners with twelve equivalent Sm(2)Sm9Mg3 cuboctahedra, edges with six equivalent Sm(2)Sm9Mg3 cuboctahedra, faces with four equivalent Mg(1)Sm12 cuboctahedra, and faces with four equivalent Sm(2)Sm9Mg3 cuboctahedra. is represented by the CIF file [CIF]
data_Sm5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.268
_cell_length_b   6.268
_cell_length_c   6.673
_cell_angle_alpha   118.020
_cell_angle_beta   61.980
_cell_angle_gamma   120.015
_symmetry_Int_Tables_number   1
_cell_volume   190.726
_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
  Sm  Sm0  1  0.709  0.376  0.000  1.0
  Sm  Sm1  1  0.957  0.000  0.000  1.0
  Sm  Sm2  1  0.333  0.624  1.000  1.0
  Sm  Sm3  1  0.488  0.845  0.535  1.0
  Sm  Sm4  1  0.178  0.155  0.465  1.0
  Mg  Mg5  1  0.834  0.500  0.500  1.0
[/CIF]
.
The material structure described by MgSm5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six equivalent Sm(1) and six equivalent Sm(2) atoms to form MgSm12 cuboctahedra that share corners with six equivalent Mg(1)Sm12 cuboctahedra, corners with twelve equivalent Sm(2)Sm9Mg3 cuboctahedra, edges with six equivalent Mg(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(2)Sm9Mg3 cuboctahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), four equivalent Sm(1), and four equivalent Sm(2) atoms. In the second Sm site, Sm(2) is bonded to three equivalent Mg(1), three equivalent Sm(2), and six equivalent Sm(1) atoms to form distorted SmSm9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Sm12 cuboctahedra, corners with twelve equivalent Sm(2)Sm9Mg3 cuboctahedra, edges with six equivalent Sm(2)Sm9Mg3 cuboctahedra, faces with four equivalent Mg(1)Sm12 cuboctahedra, and faces with four equivalent Sm(2)Sm9Mg3 cuboctahedra. is represented by the CIF file [CIF]
data_Sm5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.268
_cell_length_b   6.268
_cell_length_c   6.673
_cell_angle_alpha   118.020
_cell_angle_beta   61.980
_cell_angle_gamma   120.015
_symmetry_Int_Tables_number   1
_cell_volume   190.726
_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
  Sm  Sm0  1  0.709  0.376  0.000  1.0
  Sm  Sm1  1  0.957  0.000  0.000  1.0
  Sm  Sm2  1  0.333  0.624  1.000  1.0
  Sm  Sm3  1  0.488  0.845  0.535  1.0
  Sm  Sm4  1  0.178  0.155  0.465  1.0
  Mg  Mg5  1  0.834  0.500  0.500  1.0
[/CIF]
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