The crystal structure described by MgYb5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 10-coordinate geometry to one Yb(3), two equivalent Yb(1), two equivalent Yb(2), two equivalent Yb(4), and three equivalent Yb(5) atoms. There are five inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Yb(3), two equivalent Yb(5), and three equivalent Yb(2) atoms. In the second Yb site, Yb(2) is bonded to two equivalent Mg(1), one Yb(5), two equivalent Yb(2), two equivalent Yb(3), two equivalent Yb(4), and three equivalent Yb(1) atoms to form distorted YbYb10Mg2 cuboctahedra that share corners with six equivalent Yb(2)Yb10Mg2 cuboctahedra, edges with four equivalent Yb(5)Yb9Mg3 cuboctahedra, edges with six equivalent Yb(3)Yb11Mg cuboctahedra, faces with two equivalent Yb(2)Yb10Mg2 cuboctahedra, faces with three equivalent Yb(3)Yb11Mg cuboctahedra, and faces with four equivalent Yb(5)Yb9Mg3 cuboctahedra. In the third Yb site, Yb(3) is bonded to one Mg(1), two equivalent Yb(1), two equivalent Yb(2), two equivalent Yb(3), two equivalent Yb(5), and three equivalent Yb(4) atoms to form YbYb11Mg cuboctahedra that share corners with six equivalent Yb(3)Yb11Mg cuboctahedra, corners with six equivalent Yb(5)Yb9Mg3 cuboctahedra, edges with three equivalent Yb(5)Yb9Mg3 cuboctahedra, edges with six equivalent Yb(2)Yb10Mg2 cuboctahedra, faces with two equivalent Yb(3)Yb11Mg cuboctahedra, faces with three equivalent Yb(2)Yb10Mg2 cuboctahedra, and faces with three equivalent Yb(5)Yb9Mg3 cuboctahedra. In the fourth Yb site, Yb(4) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Yb(2), two equivalent Yb(5), and three equivalent Yb(3) atoms. In the fifth Yb site, Yb(5) is bonded to three equivalent Mg(1), one Yb(2), two equivalent Yb(1), two equivalent Yb(3), two equivalent Yb(4), and two equivalent Yb(5) atoms to form distorted YbYb9Mg3 cuboctahedra that share corners with six equivalent Yb(3)Yb11Mg cuboctahedra, corners with six equivalent Yb(5)Yb9Mg3 cuboctahedra, edges with three equivalent Yb(3)Yb11Mg cuboctahedra, edges with four equivalent Yb(2)Yb10Mg2 cuboctahedra, faces with two equivalent Yb(5)Yb9Mg3 cuboctahedra, faces with three equivalent Yb(3)Yb11Mg cuboctahedra, and faces with four equivalent Yb(2)Yb10Mg2 cuboctahedra. is represented by the CIF card [CIF]
data_Yb5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.142
_cell_length_b   7.142
_cell_length_c   8.730
_cell_angle_alpha   74.075
_cell_angle_beta   74.075
_cell_angle_gamma   30.746
_symmetry_Int_Tables_number   1
_cell_volume   218.241
_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
  Yb  Yb0  1  0.005  0.005  0.024  1.0
  Yb  Yb1  1  0.280  0.280  0.948  1.0
  Yb  Yb2  1  0.662  0.662  0.671  1.0
  Yb  Yb3  1  0.953  0.953  0.582  1.0
  Yb  Yb4  1  0.318  0.318  0.336  1.0
  Mg  Mg5  1  0.615  0.615  0.272  1.0
[/CIF]
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The crystal structure described by MgYb5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 10-coordinate geometry to one Yb(3), two equivalent Yb(1), two equivalent Yb(2), two equivalent Yb(4), and three equivalent Yb(5) atoms. There are five inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Yb(3), two equivalent Yb(5), and three equivalent Yb(2) atoms. In the second Yb site, Yb(2) is bonded to two equivalent Mg(1), one Yb(5), two equivalent Yb(2), two equivalent Yb(3), two equivalent Yb(4), and three equivalent Yb(1) atoms to form distorted YbYb10Mg2 cuboctahedra that share corners with six equivalent Yb(2)Yb10Mg2 cuboctahedra, edges with four equivalent Yb(5)Yb9Mg3 cuboctahedra, edges with six equivalent Yb(3)Yb11Mg cuboctahedra, faces with two equivalent Yb(2)Yb10Mg2 cuboctahedra, faces with three equivalent Yb(3)Yb11Mg cuboctahedra, and faces with four equivalent Yb(5)Yb9Mg3 cuboctahedra. In the third Yb site, Yb(3) is bonded to one Mg(1), two equivalent Yb(1), two equivalent Yb(2), two equivalent Yb(3), two equivalent Yb(5), and three equivalent Yb(4) atoms to form YbYb11Mg cuboctahedra that share corners with six equivalent Yb(3)Yb11Mg cuboctahedra, corners with six equivalent Yb(5)Yb9Mg3 cuboctahedra, edges with three equivalent Yb(5)Yb9Mg3 cuboctahedra, edges with six equivalent Yb(2)Yb10Mg2 cuboctahedra, faces with two equivalent Yb(3)Yb11Mg cuboctahedra, faces with three equivalent Yb(2)Yb10Mg2 cuboctahedra, and faces with three equivalent Yb(5)Yb9Mg3 cuboctahedra. In the fourth Yb site, Yb(4) is bonded in a 2-coordinate geometry to two equivalent Mg(1), two equivalent Yb(2), two equivalent Yb(5), and three equivalent Yb(3) atoms. In the fifth Yb site, Yb(5) is bonded to three equivalent Mg(1), one Yb(2), two equivalent Yb(1), two equivalent Yb(3), two equivalent Yb(4), and two equivalent Yb(5) atoms to form distorted YbYb9Mg3 cuboctahedra that share corners with six equivalent Yb(3)Yb11Mg cuboctahedra, corners with six equivalent Yb(5)Yb9Mg3 cuboctahedra, edges with three equivalent Yb(3)Yb11Mg cuboctahedra, edges with four equivalent Yb(2)Yb10Mg2 cuboctahedra, faces with two equivalent Yb(5)Yb9Mg3 cuboctahedra, faces with three equivalent Yb(3)Yb11Mg cuboctahedra, and faces with four equivalent Yb(2)Yb10Mg2 cuboctahedra. is represented by the CIF card [CIF]
data_Yb5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.142
_cell_length_b   7.142
_cell_length_c   8.730
_cell_angle_alpha   74.075
_cell_angle_beta   74.075
_cell_angle_gamma   30.746
_symmetry_Int_Tables_number   1
_cell_volume   218.241
_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
  Yb  Yb0  1  0.005  0.005  0.024  1.0
  Yb  Yb1  1  0.280  0.280  0.948  1.0
  Yb  Yb2  1  0.662  0.662  0.671  1.0
  Yb  Yb3  1  0.953  0.953  0.582  1.0
  Yb  Yb4  1  0.318  0.318  0.336  1.0
  Mg  Mg5  1  0.615  0.615  0.272  1.0
[/CIF]
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