The compound described by YbMgNiH4 crystallizes in the cubic P2_13 space group. Mg(1) is bonded in a 6-coordinate geometry to six equivalent H(2) atoms. Yb(1) is bonded in a distorted hexagonal planar geometry to three equivalent H(1) and three equivalent H(2) atoms. Ni(1) is bonded in a tetrahedral geometry to one H(1) and three equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to three equivalent Yb(1) and one Ni(1) atom to form corner-sharing HYb3Ni trigonal pyramids. In the second H site, H(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Yb(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbMgNiH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.628
_cell_length_b   6.628
_cell_length_c   6.628
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.120
_cell_formula_units_Z   4
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  0.166  0.666  0.834  1.0
  Yb  Yb1  1  0.666  0.834  0.166  1.0
  Yb  Yb2  1  0.834  0.166  0.666  1.0
  Yb  Yb3  1  0.334  0.334  0.334  1.0
  Mg  Mg4  1  0.841  0.341  0.159  1.0
  Mg  Mg5  1  0.341  0.159  0.841  1.0
  Mg  Mg6  1  0.159  0.841  0.341  1.0
  Mg  Mg7  1  0.659  0.659  0.659  1.0
  Ni  Ni8  1  0.454  0.954  0.546  1.0
  Ni  Ni9  1  0.954  0.546  0.454  1.0
  Ni  Ni10  1  0.546  0.454  0.954  1.0
  Ni  Ni11  1  0.046  0.046  0.046  1.0
  H  H12  1  0.591  0.091  0.409  1.0
  H  H13  1  0.091  0.409  0.591  1.0
  H  H14  1  0.409  0.591  0.091  1.0
  H  H15  1  0.909  0.909  0.909  1.0
  H  H16  1  0.265  0.947  0.063  1.0
  H  H17  1  0.937  0.765  0.553  1.0
  H  H18  1  0.447  0.437  0.735  1.0
  H  H19  1  0.765  0.553  0.937  1.0
  H  H20  1  0.437  0.735  0.447  1.0
  H  H21  1  0.947  0.063  0.265  1.0
  H  H22  1  0.735  0.447  0.437  1.0
  H  H23  1  0.063  0.265  0.947  1.0
  H  H24  1  0.553  0.937  0.765  1.0
  H  H25  1  0.235  0.053  0.563  1.0
  H  H26  1  0.563  0.235  0.053  1.0
  H  H27  1  0.053  0.563  0.235  1.0
[/CIF]
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The compound described by YbMgNiH4 crystallizes in the cubic P2_13 space group. Mg(1) is bonded in a 6-coordinate geometry to six equivalent H(2) atoms. Yb(1) is bonded in a distorted hexagonal planar geometry to three equivalent H(1) and three equivalent H(2) atoms. Ni(1) is bonded in a tetrahedral geometry to one H(1) and three equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to three equivalent Yb(1) and one Ni(1) atom to form corner-sharing HYb3Ni trigonal pyramids. In the second H site, H(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Yb(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbMgNiH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.628
_cell_length_b   6.628
_cell_length_c   6.628
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   291.120
_cell_formula_units_Z   4
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  0.166  0.666  0.834  1.0
  Yb  Yb1  1  0.666  0.834  0.166  1.0
  Yb  Yb2  1  0.834  0.166  0.666  1.0
  Yb  Yb3  1  0.334  0.334  0.334  1.0
  Mg  Mg4  1  0.841  0.341  0.159  1.0
  Mg  Mg5  1  0.341  0.159  0.841  1.0
  Mg  Mg6  1  0.159  0.841  0.341  1.0
  Mg  Mg7  1  0.659  0.659  0.659  1.0
  Ni  Ni8  1  0.454  0.954  0.546  1.0
  Ni  Ni9  1  0.954  0.546  0.454  1.0
  Ni  Ni10  1  0.546  0.454  0.954  1.0
  Ni  Ni11  1  0.046  0.046  0.046  1.0
  H  H12  1  0.591  0.091  0.409  1.0
  H  H13  1  0.091  0.409  0.591  1.0
  H  H14  1  0.409  0.591  0.091  1.0
  H  H15  1  0.909  0.909  0.909  1.0
  H  H16  1  0.265  0.947  0.063  1.0
  H  H17  1  0.937  0.765  0.553  1.0
  H  H18  1  0.447  0.437  0.735  1.0
  H  H19  1  0.765  0.553  0.937  1.0
  H  H20  1  0.437  0.735  0.447  1.0
  H  H21  1  0.947  0.063  0.265  1.0
  H  H22  1  0.735  0.447  0.437  1.0
  H  H23  1  0.063  0.265  0.947  1.0
  H  H24  1  0.553  0.937  0.765  1.0
  H  H25  1  0.235  0.053  0.563  1.0
  H  H26  1  0.563  0.235  0.053  1.0
  H  H27  1  0.053  0.563  0.235  1.0
[/CIF]
.