The crystal structure described by SrH2 crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded in a 11-coordinate geometry to five equivalent H(1) and six equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to five equivalent Sr(1) atoms to form HSr5 trigonal bipyramids that share corners with twelve equivalent H(2)Sr6 octahedra, corners with eight equivalent H(1)Sr5 trigonal bipyramids, edges with six equivalent H(1)Sr5 trigonal bipyramids, and faces with six equivalent H(2)Sr6 octahedra. The corner-sharing octahedral tilt angles range from 31-59°. In the second H site, H(2) is bonded to six equivalent Sr(1) atoms to form HSr6 octahedra that share corners with twelve equivalent H(2)Sr6 octahedra, corners with twelve equivalent H(1)Sr5 trigonal bipyramids, edges with six equivalent H(2)Sr6 octahedra, faces with two equivalent H(2)Sr6 octahedra, and faces with six equivalent H(1)Sr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.122
_cell_length_b   4.122
_cell_length_c   5.677
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   83.509
_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
  Sr  Sr0  1  0.667  0.333  0.750  1.0
  Sr  Sr1  1  0.333  0.667  0.250  1.0
  H  H2  1  0.667  0.333  0.250  1.0
  H  H3  1  0.333  0.667  0.750  1.0
  H  H4  1  0.000  0.000  0.000  1.0
  H  H5  1  0.000  0.000  0.500  1.0
[/CIF]
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The crystal structure described by SrH2 crystallizes in the hexagonal P6_3/mmc space group. Sr(1) is bonded in a 11-coordinate geometry to five equivalent H(1) and six equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to five equivalent Sr(1) atoms to form HSr5 trigonal bipyramids that share corners with twelve equivalent H(2)Sr6 octahedra, corners with eight equivalent H(1)Sr5 trigonal bipyramids, edges with six equivalent H(1)Sr5 trigonal bipyramids, and faces with six equivalent H(2)Sr6 octahedra. The corner-sharing octahedral tilt angles range from 31-59°. In the second H site, H(2) is bonded to six equivalent Sr(1) atoms to form HSr6 octahedra that share corners with twelve equivalent H(2)Sr6 octahedra, corners with twelve equivalent H(1)Sr5 trigonal bipyramids, edges with six equivalent H(2)Sr6 octahedra, faces with two equivalent H(2)Sr6 octahedra, and faces with six equivalent H(1)Sr5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.122
_cell_length_b   4.122
_cell_length_c   5.677
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   83.509
_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
  Sr  Sr0  1  0.667  0.333  0.750  1.0
  Sr  Sr1  1  0.333  0.667  0.250  1.0
  H  H2  1  0.667  0.333  0.250  1.0
  H  H3  1  0.333  0.667  0.750  1.0
  H  H4  1  0.000  0.000  0.000  1.0
  H  H5  1  0.000  0.000  0.500  1.0
[/CIF]
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