The compound described by YMgNi4H4 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a 16-coordinate geometry to four equivalent Y(1) and twelve equivalent Ni(1) atoms. Y(1) is bonded to four equivalent Mg(1) and four equivalent H(1) atoms to form corner-sharing YMg4H4 tetrahedra. Ni(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent H(1) atoms. H(1) is bonded to one Y(1) and three equivalent Ni(1) atoms to form a mixture of corner and edge-sharing HYNi3 tetrahedra. is represented by the CIF card [CIF]
data_YMg(NiH)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.241
_cell_length_c   5.241
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   101.822
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.618  0.618  0.146  1.0
  Ni  Ni3  1  0.618  0.146  0.618  1.0
  Ni  Ni4  1  0.146  0.618  0.618  1.0
  Ni  Ni5  1  0.618  0.618  0.618  1.0
  H  H6  1  0.839  0.839  0.482  1.0
  H  H7  1  0.839  0.482  0.839  1.0
  H  H8  1  0.482  0.839  0.839  1.0
  H  H9  1  0.839  0.839  0.839  1.0
[/CIF]
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The compound described by YMgNi4H4 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a 16-coordinate geometry to four equivalent Y(1) and twelve equivalent Ni(1) atoms. Y(1) is bonded to four equivalent Mg(1) and four equivalent H(1) atoms to form corner-sharing YMg4H4 tetrahedra. Ni(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent H(1) atoms. H(1) is bonded to one Y(1) and three equivalent Ni(1) atoms to form a mixture of corner and edge-sharing HYNi3 tetrahedra. is represented by the CIF card [CIF]
data_YMg(NiH)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.241
_cell_length_b   5.241
_cell_length_c   5.241
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   101.822
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.250  0.250  0.250  1.0
  Ni  Ni2  1  0.618  0.618  0.146  1.0
  Ni  Ni3  1  0.618  0.146  0.618  1.0
  Ni  Ni4  1  0.146  0.618  0.618  1.0
  Ni  Ni5  1  0.618  0.618  0.618  1.0
  H  H6  1  0.839  0.839  0.482  1.0
  H  H7  1  0.839  0.482  0.839  1.0
  H  H8  1  0.482  0.839  0.839  1.0
  H  H9  1  0.839  0.839  0.839  1.0
[/CIF]
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