The crystal structure described by MgH2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Mg(1) is bonded to six equivalent H(1) atoms to form a mixture of corner and edge-sharing MgH6 octahedra. The corner-sharing octahedral tilt angles are 50°. H(1) is bonded in a trigonal planar geometry to three equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_MgH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.993
_cell_length_b   4.477
_cell_length_c   4.477
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   59.973
_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  0.500  0.500  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.000  0.696  0.696  1.0
  H  H3  1  0.500  0.804  0.196  1.0
  H  H4  1  0.000  0.304  0.304  1.0
  H  H5  1  0.500  0.196  0.804  1.0
[/CIF]
.
The crystal structure described by MgH2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. Mg(1) is bonded to six equivalent H(1) atoms to form a mixture of corner and edge-sharing MgH6 octahedra. The corner-sharing octahedral tilt angles are 50°. H(1) is bonded in a trigonal planar geometry to three equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_MgH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.993
_cell_length_b   4.477
_cell_length_c   4.477
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   59.973
_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  0.500  0.500  1.0
  Mg  Mg1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.000  0.696  0.696  1.0
  H  H3  1  0.500  0.804  0.196  1.0
  H  H4  1  0.000  0.304  0.304  1.0
  H  H5  1  0.500  0.196  0.804  1.0
[/CIF]
.