The material structure described by Mg2Yb3H11Mg2H3 crystallizes in the hexagonal P-62m space group. The structure consists of one Mg2H3 cluster inside a Mg2Yb3H11 framework. In the Mg2H3 cluster, Mg(1) is bonded in a 3-coordinate geometry to three equivalent H(4) atoms. H(4) is bonded in an L-shaped geometry to two equivalent Mg(1) atoms. In the Mg2Yb3H11 framework, Mg(2) is bonded in a 6-coordinate geometry to six equivalent H(3) atoms. Yb(1) is bonded to two equivalent H(2), two equivalent H(3), and three equivalent H(1) atoms to form a mixture of corner and edge-sharing YbH7 pentagonal bipyramids. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted T-shaped geometry to three equivalent Yb(1) atoms. In the second H site, H(2) is bonded in a trigonal planar geometry to three equivalent Yb(1) atoms. In the third H site, H(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one Yb(1) atom. is represented by the CIF card [CIF]
data_Yb3(Mg2H7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.462
_cell_length_b   6.462
_cell_length_c   6.709
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   242.618
_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  0.402  0.402  0.000  1.0
  Yb  Yb1  1  0.000  0.598  0.000  1.0
  Yb  Yb2  1  0.598  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.000  0.694  1.0
  Mg  Mg4  1  0.000  0.000  0.306  1.0
  Mg  Mg5  1  0.667  0.333  0.500  1.0
  Mg  Mg6  1  0.333  0.667  0.500  1.0
  H  H7  1  0.776  0.776  0.000  1.0
  H  H8  1  0.000  0.224  0.000  1.0
  H  H9  1  0.224  0.000  0.000  1.0
  H  H10  1  0.667  0.333  0.000  1.0
  H  H11  1  0.333  0.667  0.000  1.0
  H  H12  1  0.387  0.387  0.671  1.0
  H  H13  1  0.000  0.613  0.671  1.0
  H  H14  1  0.387  0.387  0.329  1.0
  H  H15  1  0.000  0.613  0.329  1.0
  H  H16  1  0.613  0.000  0.671  1.0
  H  H17  1  0.613  0.000  0.329  1.0
  H  H18  1  0.770  0.770  0.500  1.0
  H  H19  1  0.000  0.230  0.500  1.0
  H  H20  1  0.230  0.000  0.500  1.0
[/CIF]
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The material structure described by Mg2Yb3H11Mg2H3 crystallizes in the hexagonal P-62m space group. The structure consists of one Mg2H3 cluster inside a Mg2Yb3H11 framework. In the Mg2H3 cluster, Mg(1) is bonded in a 3-coordinate geometry to three equivalent H(4) atoms. H(4) is bonded in an L-shaped geometry to two equivalent Mg(1) atoms. In the Mg2Yb3H11 framework, Mg(2) is bonded in a 6-coordinate geometry to six equivalent H(3) atoms. Yb(1) is bonded to two equivalent H(2), two equivalent H(3), and three equivalent H(1) atoms to form a mixture of corner and edge-sharing YbH7 pentagonal bipyramids. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted T-shaped geometry to three equivalent Yb(1) atoms. In the second H site, H(2) is bonded in a trigonal planar geometry to three equivalent Yb(1) atoms. In the third H site, H(3) is bonded in a distorted trigonal planar geometry to two equivalent Mg(2) and one Yb(1) atom. is represented by the CIF card [CIF]
data_Yb3(Mg2H7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.462
_cell_length_b   6.462
_cell_length_c   6.709
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   242.618
_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  0.402  0.402  0.000  1.0
  Yb  Yb1  1  0.000  0.598  0.000  1.0
  Yb  Yb2  1  0.598  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.000  0.694  1.0
  Mg  Mg4  1  0.000  0.000  0.306  1.0
  Mg  Mg5  1  0.667  0.333  0.500  1.0
  Mg  Mg6  1  0.333  0.667  0.500  1.0
  H  H7  1  0.776  0.776  0.000  1.0
  H  H8  1  0.000  0.224  0.000  1.0
  H  H9  1  0.224  0.000  0.000  1.0
  H  H10  1  0.667  0.333  0.000  1.0
  H  H11  1  0.333  0.667  0.000  1.0
  H  H12  1  0.387  0.387  0.671  1.0
  H  H13  1  0.000  0.613  0.671  1.0
  H  H14  1  0.387  0.387  0.329  1.0
  H  H15  1  0.000  0.613  0.329  1.0
  H  H16  1  0.613  0.000  0.671  1.0
  H  H17  1  0.613  0.000  0.329  1.0
  H  H18  1  0.770  0.770  0.500  1.0
  H  H19  1  0.000  0.230  0.500  1.0
  H  H20  1  0.230  0.000  0.500  1.0
[/CIF]
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