The material structure described by Mg2NiH2 crystallizes in the tetragonal P4_2/mnm space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent H(1) atoms. Ni(1) is bonded in a linear geometry to two equivalent H(1) atoms. H(1) is bonded to four equivalent Mg(1) and one Ni(1) atom to form a mixture of corner and edge-sharing HMg4Ni square pyramids. is represented by the CIF file [CIF]
data_Mg2NiH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.430
_cell_length_b   4.430
_cell_length_c   6.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.932
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.500  0.000  0.250  1.0
  Mg  Mg1  1  0.000  0.500  0.250  1.0
  Mg  Mg2  1  0.500  0.000  0.750  1.0
  Mg  Mg3  1  0.000  0.500  0.750  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.746  0.254  0.500  1.0
  H  H7  1  0.254  0.746  0.500  1.0
  H  H8  1  0.754  0.754  0.000  1.0
  H  H9  1  0.246  0.246  0.000  1.0
[/CIF]
.
The material structure described by Mg2NiH2 crystallizes in the tetragonal P4_2/mnm space group. Mg(1) is bonded in a 4-coordinate geometry to four equivalent H(1) atoms. Ni(1) is bonded in a linear geometry to two equivalent H(1) atoms. H(1) is bonded to four equivalent Mg(1) and one Ni(1) atom to form a mixture of corner and edge-sharing HMg4Ni square pyramids. is represented by the CIF file [CIF]
data_Mg2NiH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.430
_cell_length_b   4.430
_cell_length_c   6.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   124.932
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.500  0.000  0.250  1.0
  Mg  Mg1  1  0.000  0.500  0.250  1.0
  Mg  Mg2  1  0.500  0.000  0.750  1.0
  Mg  Mg3  1  0.000  0.500  0.750  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  H  H6  1  0.746  0.254  0.500  1.0
  H  H7  1  0.254  0.746  0.500  1.0
  H  H8  1  0.754  0.754  0.000  1.0
  H  H9  1  0.246  0.246  0.000  1.0
[/CIF]
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