The compound described by Yb4Mg3H14 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded in a 5-coordinate geometry to two equivalent H(1), two equivalent H(4), and three equivalent H(3) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to three equivalent H(1), three equivalent H(2), and three equivalent H(3) atoms. In the second Yb site, Yb(2) is bonded in a 9-coordinate geometry to three equivalent H(2) and six equivalent H(1) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded to one Mg(1), one Yb(1), and two equivalent Yb(2) atoms to form distorted HYb3Mg tetrahedra that share corners with three equivalent H(2)Yb4 tetrahedra, corners with eleven equivalent H(1)Yb3Mg tetrahedra, corners with two equivalent H(3)Yb2Mg3 trigonal bipyramids,  an edgeedge with one H(1)Yb3Mg tetrahedra, edges with three equivalent H(2)Yb4 tetrahedra, and edges with two equivalent H(3)Yb2Mg3 trigonal bipyramids. In the second H site, H(2) is bonded to two equivalent Yb(1) and two equivalent Yb(2) atoms to form HYb4 tetrahedra that share corners with four equivalent H(2)Yb4 tetrahedra, corners with six equivalent H(1)Yb3Mg tetrahedra, corners with six equivalent H(3)Yb2Mg3 trigonal bipyramids, edges with two equivalent H(2)Yb4 tetrahedra, and edges with six equivalent H(1)Yb3Mg tetrahedra. In the third H site, H(3) is bonded to three equivalent Mg(1) and two equivalent Yb(1) atoms to form distorted HYb2Mg3 trigonal bipyramids that share corners with four equivalent H(1)Yb3Mg tetrahedra, corners with six equivalent H(2)Yb4 tetrahedra, corners with four equivalent H(3)Yb2Mg3 trigonal bipyramids, edges with four equivalent H(1)Yb3Mg tetrahedra, and faces with two equivalent H(3)Yb2Mg3 trigonal bipyramids. In the fourth H site, H(4) is bonded in a trigonal planar geometry to three equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Yb4Mg3H14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.200
_cell_length_b   6.200
_cell_length_c   6.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   225.724
_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  0.000  0.000  0.732  1.0
  Yb  Yb1  1  0.000  0.000  0.268  1.0
  Yb  Yb2  1  0.667  0.333  0.500  1.0
  Yb  Yb3  1  0.333  0.667  0.500  1.0
  Mg  Mg4  1  0.441  0.441  0.000  1.0
  Mg  Mg5  1  0.559  0.000  0.000  1.0
  Mg  Mg6  1  0.000  0.559  0.000  1.0
  H  H7  1  0.386  0.386  0.721  1.0
  H  H8  1  0.614  0.000  0.721  1.0
  H  H9  1  0.000  0.614  0.721  1.0
  H  H10  1  0.386  0.386  0.279  1.0
  H  H11  1  0.614  0.000  0.279  1.0
  H  H12  1  0.000  0.614  0.279  1.0
  H  H13  1  0.737  0.737  0.500  1.0
  H  H14  1  0.263  0.000  0.500  1.0
  H  H15  1  0.000  0.263  0.500  1.0
  H  H16  1  0.770  0.770  0.000  1.0
  H  H17  1  0.230  0.000  0.000  1.0
  H  H18  1  0.000  0.230  0.000  1.0
  H  H19  1  0.667  0.333  0.000  1.0
  H  H20  1  0.333  0.667  0.000  1.0
[/CIF]
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The compound described by Yb4Mg3H14 crystallizes in the hexagonal P-62m space group. Mg(1) is bonded in a 5-coordinate geometry to two equivalent H(1), two equivalent H(4), and three equivalent H(3) atoms. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 9-coordinate geometry to three equivalent H(1), three equivalent H(2), and three equivalent H(3) atoms. In the second Yb site, Yb(2) is bonded in a 9-coordinate geometry to three equivalent H(2) and six equivalent H(1) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded to one Mg(1), one Yb(1), and two equivalent Yb(2) atoms to form distorted HYb3Mg tetrahedra that share corners with three equivalent H(2)Yb4 tetrahedra, corners with eleven equivalent H(1)Yb3Mg tetrahedra, corners with two equivalent H(3)Yb2Mg3 trigonal bipyramids,  an edgeedge with one H(1)Yb3Mg tetrahedra, edges with three equivalent H(2)Yb4 tetrahedra, and edges with two equivalent H(3)Yb2Mg3 trigonal bipyramids. In the second H site, H(2) is bonded to two equivalent Yb(1) and two equivalent Yb(2) atoms to form HYb4 tetrahedra that share corners with four equivalent H(2)Yb4 tetrahedra, corners with six equivalent H(1)Yb3Mg tetrahedra, corners with six equivalent H(3)Yb2Mg3 trigonal bipyramids, edges with two equivalent H(2)Yb4 tetrahedra, and edges with six equivalent H(1)Yb3Mg tetrahedra. In the third H site, H(3) is bonded to three equivalent Mg(1) and two equivalent Yb(1) atoms to form distorted HYb2Mg3 trigonal bipyramids that share corners with four equivalent H(1)Yb3Mg tetrahedra, corners with six equivalent H(2)Yb4 tetrahedra, corners with four equivalent H(3)Yb2Mg3 trigonal bipyramids, edges with four equivalent H(1)Yb3Mg tetrahedra, and faces with two equivalent H(3)Yb2Mg3 trigonal bipyramids. In the fourth H site, H(4) is bonded in a trigonal planar geometry to three equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Yb4Mg3H14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.200
_cell_length_b   6.200
_cell_length_c   6.780
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   225.724
_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  0.000  0.000  0.732  1.0
  Yb  Yb1  1  0.000  0.000  0.268  1.0
  Yb  Yb2  1  0.667  0.333  0.500  1.0
  Yb  Yb3  1  0.333  0.667  0.500  1.0
  Mg  Mg4  1  0.441  0.441  0.000  1.0
  Mg  Mg5  1  0.559  0.000  0.000  1.0
  Mg  Mg6  1  0.000  0.559  0.000  1.0
  H  H7  1  0.386  0.386  0.721  1.0
  H  H8  1  0.614  0.000  0.721  1.0
  H  H9  1  0.000  0.614  0.721  1.0
  H  H10  1  0.386  0.386  0.279  1.0
  H  H11  1  0.614  0.000  0.279  1.0
  H  H12  1  0.000  0.614  0.279  1.0
  H  H13  1  0.737  0.737  0.500  1.0
  H  H14  1  0.263  0.000  0.500  1.0
  H  H15  1  0.000  0.263  0.500  1.0
  H  H16  1  0.770  0.770  0.000  1.0
  H  H17  1  0.230  0.000  0.000  1.0
  H  H18  1  0.000  0.230  0.000  1.0
  H  H19  1  0.667  0.333  0.000  1.0
  H  H20  1  0.333  0.667  0.000  1.0
[/CIF]
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