The material described by Sr2MgH6 crystallizes in the trigonal P-3m1 space group. Sr(1) is bonded to twelve equivalent H(1) atoms to form SrH12 cuboctahedra that share corners with six equivalent Sr(1)H12 cuboctahedra, corners with three equivalent Mg(1)H6 octahedra, faces with eight equivalent Sr(1)H12 cuboctahedra, and faces with three equivalent Mg(1)H6 octahedra. The corner-sharing octahedral tilt angles are 24°. Mg(1) is bonded to six equivalent H(1) atoms to form MgH6 octahedra that share corners with six equivalent Sr(1)H12 cuboctahedra and faces with six equivalent Sr(1)H12 cuboctahedra. H(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Mg(1) atom. is represented by the CIF card [CIF]
data_Sr2MgH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.475
_cell_length_b   5.475
_cell_length_c   4.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   108.748
_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
  Sr  Sr0  1  0.667  0.333  0.264  1.0
  Sr  Sr1  1  0.333  0.667  0.736  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.823  0.647  0.765  1.0
  H  H4  1  0.823  0.177  0.765  1.0
  H  H5  1  0.353  0.177  0.765  1.0
  H  H6  1  0.177  0.353  0.235  1.0
  H  H7  1  0.177  0.823  0.235  1.0
  H  H8  1  0.647  0.823  0.235  1.0
[/CIF]
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The material described by Sr2MgH6 crystallizes in the trigonal P-3m1 space group. Sr(1) is bonded to twelve equivalent H(1) atoms to form SrH12 cuboctahedra that share corners with six equivalent Sr(1)H12 cuboctahedra, corners with three equivalent Mg(1)H6 octahedra, faces with eight equivalent Sr(1)H12 cuboctahedra, and faces with three equivalent Mg(1)H6 octahedra. The corner-sharing octahedral tilt angles are 24°. Mg(1) is bonded to six equivalent H(1) atoms to form MgH6 octahedra that share corners with six equivalent Sr(1)H12 cuboctahedra and faces with six equivalent Sr(1)H12 cuboctahedra. H(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Mg(1) atom. is represented by the CIF card [CIF]
data_Sr2MgH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.475
_cell_length_b   5.475
_cell_length_c   4.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   108.748
_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
  Sr  Sr0  1  0.667  0.333  0.264  1.0
  Sr  Sr1  1  0.333  0.667  0.736  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.823  0.647  0.765  1.0
  H  H4  1  0.823  0.177  0.765  1.0
  H  H5  1  0.353  0.177  0.765  1.0
  H  H6  1  0.177  0.353  0.235  1.0
  H  H7  1  0.177  0.823  0.235  1.0
  H  H8  1  0.647  0.823  0.235  1.0
[/CIF]
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