The material structure described by MgCe(NiH)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a 16-coordinate geometry to four equivalent Ce(1) and twelve equivalent Ni(1) atoms. Ce(1) is bonded to four equivalent Mg(1) and four equivalent H(1) atoms to form corner-sharing CeMg4H4 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 Ce(1) and three equivalent Ni(1) atoms to form a mixture of corner and edge-sharing HCeNi3 tetrahedra. is represented by the CIF card [CIF]
data_CeMg(NiH)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.283
_cell_length_c   5.283
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   104.276
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.750  0.750  0.750  1.0
  Ni  Ni2  1  0.382  0.382  0.382  1.0
  Ni  Ni3  1  0.382  0.382  0.853  1.0
  Ni  Ni4  1  0.382  0.853  0.382  1.0
  Ni  Ni5  1  0.853  0.382  0.382  1.0
  H  H6  1  0.164  0.164  0.164  1.0
  H  H7  1  0.164  0.164  0.508  1.0
  H  H8  1  0.164  0.508  0.164  1.0
  H  H9  1  0.508  0.164  0.164  1.0
[/CIF]
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The material structure described by MgCe(NiH)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded in a 16-coordinate geometry to four equivalent Ce(1) and twelve equivalent Ni(1) atoms. Ce(1) is bonded to four equivalent Mg(1) and four equivalent H(1) atoms to form corner-sharing CeMg4H4 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 Ce(1) and three equivalent Ni(1) atoms to form a mixture of corner and edge-sharing HCeNi3 tetrahedra. is represented by the CIF card [CIF]
data_CeMg(NiH)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.283
_cell_length_c   5.283
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   104.276
_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
  Ce  Ce0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.750  0.750  0.750  1.0
  Ni  Ni2  1  0.382  0.382  0.382  1.0
  Ni  Ni3  1  0.382  0.382  0.853  1.0
  Ni  Ni4  1  0.382  0.853  0.382  1.0
  Ni  Ni5  1  0.853  0.382  0.382  1.0
  H  H6  1  0.164  0.164  0.164  1.0
  H  H7  1  0.164  0.164  0.508  1.0
  H  H8  1  0.164  0.508  0.164  1.0
  H  H9  1  0.508  0.164  0.164  1.0
[/CIF]
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