The compound described by SrH2 crystallizes in the orthorhombic Cmcm 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 distorted 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 31-60°. 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 range from 50-51°. is represented by the CIF file [CIF]
data_SrH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.128
_cell_length_b   4.128
_cell_length_c   5.731
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.599
_symmetry_Int_Tables_number   1
_cell_volume   84.059
_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  0.338  0.662  0.750  1.0
  Sr  Sr1  1  0.662  0.338  0.250  1.0
  H  H2  1  0.668  0.332  0.750  1.0
  H  H3  1  0.332  0.668  0.250  1.0
  H  H4  1  0.000  0.000  0.500  1.0
  H  H5  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by SrH2 crystallizes in the orthorhombic Cmcm 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 distorted 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 31-60°. 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 range from 50-51°. is represented by the CIF file [CIF]
data_SrH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.128
_cell_length_b   4.128
_cell_length_c   5.731
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.599
_symmetry_Int_Tables_number   1
_cell_volume   84.059
_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  0.338  0.662  0.750  1.0
  Sr  Sr1  1  0.662  0.338  0.250  1.0
  H  H2  1  0.668  0.332  0.750  1.0
  H  H3  1  0.332  0.668  0.250  1.0
  H  H4  1  0.000  0.000  0.500  1.0
  H  H5  1  0.000  0.000  0.000  1.0
[/CIF]
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