The crystal structure described by Mg2NiH4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent H(1) and four equivalent H(2) atoms. Ni(1) is bonded in a distorted trigonal pyramidal geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted see-saw-like geometry to three equivalent Mg(1) and one Ni(1) atom. In the second H site, H(2) is bonded to four equivalent Mg(1) and one Ni(1) atom to form a mixture of distorted edge, corner, and face-sharing HMg4Ni square pyramids. is represented by the CIF card [CIF]
data_Mg2NiH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.515
_cell_length_b   4.515
_cell_length_c   4.515
_cell_angle_alpha   88.996
_cell_angle_beta   61.006
_cell_angle_gamma   119.851
_symmetry_Int_Tables_number   1
_cell_volume   65.639
_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
  Mg  Mg0  1  0.491  0.250  0.259  1.0
  Mg  Mg1  1  0.491  0.750  0.760  1.0
  Ni  Ni2  1  0.962  0.000  0.038  1.0
  H  H3  1  0.051  0.232  0.717  1.0
  H  H4  1  0.482  0.739  0.257  1.0
  H  H5  1  0.005  0.261  0.257  1.0
  H  H6  1  0.051  0.768  0.181  1.0
[/CIF]
.
The crystal structure described by Mg2NiH4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 7-coordinate geometry to three equivalent H(1) and four equivalent H(2) atoms. Ni(1) is bonded in a distorted trigonal pyramidal geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted see-saw-like geometry to three equivalent Mg(1) and one Ni(1) atom. In the second H site, H(2) is bonded to four equivalent Mg(1) and one Ni(1) atom to form a mixture of distorted edge, corner, and face-sharing HMg4Ni square pyramids. is represented by the CIF card [CIF]
data_Mg2NiH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.515
_cell_length_b   4.515
_cell_length_c   4.515
_cell_angle_alpha   88.996
_cell_angle_beta   61.006
_cell_angle_gamma   119.851
_symmetry_Int_Tables_number   1
_cell_volume   65.639
_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
  Mg  Mg0  1  0.491  0.250  0.259  1.0
  Mg  Mg1  1  0.491  0.750  0.760  1.0
  Ni  Ni2  1  0.962  0.000  0.038  1.0
  H  H3  1  0.051  0.232  0.717  1.0
  H  H4  1  0.482  0.739  0.257  1.0
  H  H5  1  0.005  0.261  0.257  1.0
  H  H6  1  0.051  0.768  0.181  1.0
[/CIF]
.