The material described by MgSm5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Sm(3), two equivalent Sm(4), two equivalent Sm(5), and four equivalent Sm(2) atoms. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Sm(1), two equivalent Sm(2), two equivalent Sm(3), two equivalent Sm(5), and four equivalent Sm(4) atoms to form SmSm12 cuboctahedra that share corners with six equivalent Sm(3)Sm10Mg2 cuboctahedra, corners with six equivalent Sm(1)Sm12 cuboctahedra, corners with six equivalent Sm(2)Sm8Mg4 cuboctahedra, edges with three equivalent Sm(3)Sm10Mg2 cuboctahedra, edges with three equivalent Sm(2)Sm8Mg4 cuboctahedra, edges with four equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(3)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(2)Sm8Mg4 cuboctahedra, faces with four equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with four equivalent Sm(1)Sm12 cuboctahedra, and faces with six equivalent Sm(5)Sm10Mg2 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Mg(1), two equivalent Sm(1), two equivalent Sm(2), two equivalent Sm(3), and two equivalent Sm(4) atoms to form SmSm8Mg4 cuboctahedra that share corners with six equivalent Sm(3)Sm10Mg2 cuboctahedra, corners with six equivalent Sm(1)Sm12 cuboctahedra, corners with six equivalent Sm(2)Sm8Mg4 cuboctahedra, edges with three equivalent Sm(3)Sm10Mg2 cuboctahedra, edges with three equivalent Sm(1)Sm12 cuboctahedra, edges with eight equivalent Sm(5)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(3)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(5)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Sm8Mg4 cuboctahedra, and faces with six equivalent Sm(4)Sm10Mg2 cuboctahedra. In the third Sm site, Sm(3) is bonded to two equivalent Mg(1), two equivalent Sm(1), two equivalent Sm(2), two equivalent Sm(3), and four equivalent Sm(5) atoms to form SmSm10Mg2 cuboctahedra that share corners with six equivalent Sm(3)Sm10Mg2 cuboctahedra, corners with six equivalent Sm(1)Sm12 cuboctahedra, corners with six equivalent Sm(2)Sm8Mg4 cuboctahedra, edges with three equivalent Sm(1)Sm12 cuboctahedra, edges with three equivalent Sm(2)Sm8Mg4 cuboctahedra, edges with four equivalent Sm(5)Sm10Mg2 cuboctahedra, edges with eight equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(1)Sm12 cuboctahedra, faces with two equivalent Sm(2)Sm8Mg4 cuboctahedra, faces with four equivalent Sm(3)Sm10Mg2 cuboctahedra, and faces with four equivalent Sm(5)Sm10Mg2 cuboctahedra. In the fourth Sm site, Sm(4) is bonded to two equivalent Mg(1), two equivalent Sm(2), two equivalent Sm(4), two equivalent Sm(5), and four equivalent Sm(1) atoms to form SmSm10Mg2 cuboctahedra that share corners with six equivalent Sm(4)Sm10Mg2 cuboctahedra, corners with six equivalent Sm(5)Sm10Mg2 cuboctahedra, edges with three equivalent Sm(5)Sm10Mg2 cuboctahedra, edges with four equivalent Sm(1)Sm12 cuboctahedra, edges with eight equivalent Sm(3)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(3)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(5)Sm10Mg2 cuboctahedra, faces with four equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with four equivalent Sm(1)Sm12 cuboctahedra, and faces with six equivalent Sm(2)Sm8Mg4 cuboctahedra. In the fifth Sm site, Sm(5) is bonded to two equivalent Mg(1), two equivalent Sm(1), two equivalent Sm(4), two equivalent Sm(5), and four equivalent Sm(3) atoms to form distorted SmSm10Mg2 cuboctahedra that share corners with six equivalent Sm(4)Sm10Mg2 cuboctahedra, corners with six equivalent Sm(5)Sm10Mg2 cuboctahedra, edges with three equivalent Sm(4)Sm10Mg2 cuboctahedra, edges with four equivalent Sm(3)Sm10Mg2 cuboctahedra, edges with eight equivalent Sm(2)Sm8Mg4 cuboctahedra, faces with two equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(2)Sm8Mg4 cuboctahedra, faces with four equivalent Sm(3)Sm10Mg2 cuboctahedra, faces with four equivalent Sm(5)Sm10Mg2 cuboctahedra, and faces with six equivalent Sm(1)Sm12 cuboctahedra. is represented by the CIF file [CIF]
data_Sm5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.332
_cell_length_b   9.332
_cell_length_c   5.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.470
_symmetry_Int_Tables_number   1
_cell_volume   192.089
_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  0.997  0.003  0.000  1.0
  Sm  Sm1  1  0.327  0.673  0.000  1.0
  Sm  Sm2  1  0.667  0.333  0.000  1.0
  Sm  Sm3  1  0.445  0.555  0.500  1.0
  Sm  Sm4  1  0.118  0.882  0.500  1.0
  Mg  Mg5  1  0.779  0.221  0.500  1.0
[/CIF]
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The material described by MgSm5 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 10-coordinate geometry to two equivalent Sm(3), two equivalent Sm(4), two equivalent Sm(5), and four equivalent Sm(2) atoms. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Sm(1), two equivalent Sm(2), two equivalent Sm(3), two equivalent Sm(5), and four equivalent Sm(4) atoms to form SmSm12 cuboctahedra that share corners with six equivalent Sm(3)Sm10Mg2 cuboctahedra, corners with six equivalent Sm(1)Sm12 cuboctahedra, corners with six equivalent Sm(2)Sm8Mg4 cuboctahedra, edges with three equivalent Sm(3)Sm10Mg2 cuboctahedra, edges with three equivalent Sm(2)Sm8Mg4 cuboctahedra, edges with four equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(3)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(2)Sm8Mg4 cuboctahedra, faces with four equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with four equivalent Sm(1)Sm12 cuboctahedra, and faces with six equivalent Sm(5)Sm10Mg2 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent Mg(1), two equivalent Sm(1), two equivalent Sm(2), two equivalent Sm(3), and two equivalent Sm(4) atoms to form SmSm8Mg4 cuboctahedra that share corners with six equivalent Sm(3)Sm10Mg2 cuboctahedra, corners with six equivalent Sm(1)Sm12 cuboctahedra, corners with six equivalent Sm(2)Sm8Mg4 cuboctahedra, edges with three equivalent Sm(3)Sm10Mg2 cuboctahedra, edges with three equivalent Sm(1)Sm12 cuboctahedra, edges with eight equivalent Sm(5)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(3)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(5)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)Sm8Mg4 cuboctahedra, and faces with six equivalent Sm(4)Sm10Mg2 cuboctahedra. In the third Sm site, Sm(3) is bonded to two equivalent Mg(1), two equivalent Sm(1), two equivalent Sm(2), two equivalent Sm(3), and four equivalent Sm(5) atoms to form SmSm10Mg2 cuboctahedra that share corners with six equivalent Sm(3)Sm10Mg2 cuboctahedra, corners with six equivalent Sm(1)Sm12 cuboctahedra, corners with six equivalent Sm(2)Sm8Mg4 cuboctahedra, edges with three equivalent Sm(1)Sm12 cuboctahedra, edges with three equivalent Sm(2)Sm8Mg4 cuboctahedra, edges with four equivalent Sm(5)Sm10Mg2 cuboctahedra, edges with eight equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(1)Sm12 cuboctahedra, faces with two equivalent Sm(2)Sm8Mg4 cuboctahedra, faces with four equivalent Sm(3)Sm10Mg2 cuboctahedra, and faces with four equivalent Sm(5)Sm10Mg2 cuboctahedra. In the fourth Sm site, Sm(4) is bonded to two equivalent Mg(1), two equivalent Sm(2), two equivalent Sm(4), two equivalent Sm(5), and four equivalent Sm(1) atoms to form SmSm10Mg2 cuboctahedra that share corners with six equivalent Sm(4)Sm10Mg2 cuboctahedra, corners with six equivalent Sm(5)Sm10Mg2 cuboctahedra, edges with three equivalent Sm(5)Sm10Mg2 cuboctahedra, edges with four equivalent Sm(1)Sm12 cuboctahedra, edges with eight equivalent Sm(3)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(3)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(5)Sm10Mg2 cuboctahedra, faces with four equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with four equivalent Sm(1)Sm12 cuboctahedra, and faces with six equivalent Sm(2)Sm8Mg4 cuboctahedra. In the fifth Sm site, Sm(5) is bonded to two equivalent Mg(1), two equivalent Sm(1), two equivalent Sm(4), two equivalent Sm(5), and four equivalent Sm(3) atoms to form distorted SmSm10Mg2 cuboctahedra that share corners with six equivalent Sm(4)Sm10Mg2 cuboctahedra, corners with six equivalent Sm(5)Sm10Mg2 cuboctahedra, edges with three equivalent Sm(4)Sm10Mg2 cuboctahedra, edges with four equivalent Sm(3)Sm10Mg2 cuboctahedra, edges with eight equivalent Sm(2)Sm8Mg4 cuboctahedra, faces with two equivalent Sm(4)Sm10Mg2 cuboctahedra, faces with two equivalent Sm(2)Sm8Mg4 cuboctahedra, faces with four equivalent Sm(3)Sm10Mg2 cuboctahedra, faces with four equivalent Sm(5)Sm10Mg2 cuboctahedra, and faces with six equivalent Sm(1)Sm12 cuboctahedra. is represented by the CIF file [CIF]
data_Sm5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.332
_cell_length_b   9.332
_cell_length_c   5.757
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   157.470
_symmetry_Int_Tables_number   1
_cell_volume   192.089
_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  0.997  0.003  0.000  1.0
  Sm  Sm1  1  0.327  0.673  0.000  1.0
  Sm  Sm2  1  0.667  0.333  0.000  1.0
  Sm  Sm3  1  0.445  0.555  0.500  1.0
  Sm  Sm4  1  0.118  0.882  0.500  1.0
  Mg  Mg5  1  0.779  0.221  0.500  1.0
[/CIF]
.