The structure described by Yb4Mg4Fe3H22 crystallizes in the cubic P-43m space group. Mg(1) is bonded in a 4-coordinate geometry to one H(3) and three equivalent H(2) atoms. Yb(1) is bonded in a 12-coordinate geometry to three equivalent H(2), three equivalent H(3), and six equivalent H(1) atoms. Fe(1) is bonded in an octahedral geometry to two equivalent H(2) and four equivalent H(1) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to two equivalent Yb(1) and one Fe(1) atom. In the second H site, H(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1), two equivalent Yb(1), and one Fe(1) atom. In the third H site, H(3) is bonded to one Mg(1) and three equivalent Yb(1) atoms to form distorted edge-sharing HYb3Mg tetrahedra. is represented by the CIF file [CIF]
data_Yb4Mg4Fe3H22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.545
_cell_length_b   6.545
_cell_length_c   6.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.410
_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  0.290  0.290  0.710  1.0
  Yb  Yb1  1  0.290  0.710  0.290  1.0
  Yb  Yb2  1  0.710  0.290  0.290  1.0
  Yb  Yb3  1  0.710  0.710  0.710  1.0
  Mg  Mg4  1  0.786  0.786  0.214  1.0
  Mg  Mg5  1  0.786  0.214  0.786  1.0
  Mg  Mg6  1  0.214  0.786  0.786  1.0
  Mg  Mg7  1  0.214  0.214  0.214  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.500  0.000  0.000  1.0
  H  H11  1  0.000  0.500  0.240  1.0
  H  H12  1  0.500  0.760  0.000  1.0
  H  H13  1  0.760  0.000  0.500  1.0
  H  H14  1  0.000  0.760  0.500  1.0
  H  H15  1  0.500  0.000  0.240  1.0
  H  H16  1  0.760  0.500  0.000  1.0
  H  H17  1  0.000  0.500  0.760  1.0
  H  H18  1  0.500  0.240  0.000  1.0
  H  H19  1  0.000  0.240  0.500  1.0
  H  H20  1  0.500  0.000  0.760  1.0
  H  H21  1  0.240  0.000  0.500  1.0
  H  H22  1  0.240  0.500  0.000  1.0
  H  H23  1  0.000  0.000  0.261  1.0
  H  H24  1  0.000  0.739  0.000  1.0
  H  H25  1  0.739  0.000  0.000  1.0
  H  H26  1  0.000  0.000  0.739  1.0
  H  H27  1  0.000  0.261  0.000  1.0
  H  H28  1  0.261  0.000  0.000  1.0
  H  H29  1  0.626  0.626  0.374  1.0
  H  H30  1  0.626  0.374  0.626  1.0
  H  H31  1  0.374  0.626  0.626  1.0
  H  H32  1  0.374  0.374  0.374  1.0
[/CIF]
.
The structure described by Yb4Mg4Fe3H22 crystallizes in the cubic P-43m space group. Mg(1) is bonded in a 4-coordinate geometry to one H(3) and three equivalent H(2) atoms. Yb(1) is bonded in a 12-coordinate geometry to three equivalent H(2), three equivalent H(3), and six equivalent H(1) atoms. Fe(1) is bonded in an octahedral geometry to two equivalent H(2) and four equivalent H(1) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to two equivalent Yb(1) and one Fe(1) atom. In the second H site, H(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1), two equivalent Yb(1), and one Fe(1) atom. In the third H site, H(3) is bonded to one Mg(1) and three equivalent Yb(1) atoms to form distorted edge-sharing HYb3Mg tetrahedra. is represented by the CIF file [CIF]
data_Yb4Mg4Fe3H22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.545
_cell_length_b   6.545
_cell_length_c   6.545
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.410
_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  0.290  0.290  0.710  1.0
  Yb  Yb1  1  0.290  0.710  0.290  1.0
  Yb  Yb2  1  0.710  0.290  0.290  1.0
  Yb  Yb3  1  0.710  0.710  0.710  1.0
  Mg  Mg4  1  0.786  0.786  0.214  1.0
  Mg  Mg5  1  0.786  0.214  0.786  1.0
  Mg  Mg6  1  0.214  0.786  0.786  1.0
  Mg  Mg7  1  0.214  0.214  0.214  1.0
  Fe  Fe8  1  0.000  0.000  0.500  1.0
  Fe  Fe9  1  0.000  0.500  0.000  1.0
  Fe  Fe10  1  0.500  0.000  0.000  1.0
  H  H11  1  0.000  0.500  0.240  1.0
  H  H12  1  0.500  0.760  0.000  1.0
  H  H13  1  0.760  0.000  0.500  1.0
  H  H14  1  0.000  0.760  0.500  1.0
  H  H15  1  0.500  0.000  0.240  1.0
  H  H16  1  0.760  0.500  0.000  1.0
  H  H17  1  0.000  0.500  0.760  1.0
  H  H18  1  0.500  0.240  0.000  1.0
  H  H19  1  0.000  0.240  0.500  1.0
  H  H20  1  0.500  0.000  0.760  1.0
  H  H21  1  0.240  0.000  0.500  1.0
  H  H22  1  0.240  0.500  0.000  1.0
  H  H23  1  0.000  0.000  0.261  1.0
  H  H24  1  0.000  0.739  0.000  1.0
  H  H25  1  0.739  0.000  0.000  1.0
  H  H26  1  0.000  0.000  0.739  1.0
  H  H27  1  0.000  0.261  0.000  1.0
  H  H28  1  0.261  0.000  0.000  1.0
  H  H29  1  0.626  0.626  0.374  1.0
  H  H30  1  0.626  0.374  0.626  1.0
  H  H31  1  0.374  0.626  0.626  1.0
  H  H32  1  0.374  0.374  0.374  1.0
[/CIF]
.