The compound described by Sr2FeH6 crystallizes in the cubic Fm-3m space group. Sr(1) is bonded to twelve equivalent H(1) atoms to form SrH12 cuboctahedra that share corners with twelve equivalent Sr(1)H12 cuboctahedra, faces with six equivalent Sr(1)H12 cuboctahedra, and faces with four equivalent Fe(1)H6 octahedra. Fe(1) is bonded to six equivalent H(1) atoms to form FeH6 octahedra that share faces with eight equivalent Sr(1)H12 cuboctahedra. H(1) is bonded in a distorted single-bond geometry to four equivalent Sr(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2FeH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.243
_cell_length_b   5.243
_cell_length_c   5.243
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   101.936
_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  0.750  0.750  0.750  1.0
  Sr  Sr1  1  0.250  0.250  0.250  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.782  0.782  0.218  1.0
  H  H4  1  0.218  0.782  0.218  1.0
  H  H5  1  0.782  0.218  0.218  1.0
  H  H6  1  0.218  0.218  0.782  1.0
  H  H7  1  0.782  0.218  0.782  1.0
  H  H8  1  0.218  0.782  0.782  1.0
[/CIF]
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The compound described by Sr2FeH6 crystallizes in the cubic Fm-3m space group. Sr(1) is bonded to twelve equivalent H(1) atoms to form SrH12 cuboctahedra that share corners with twelve equivalent Sr(1)H12 cuboctahedra, faces with six equivalent Sr(1)H12 cuboctahedra, and faces with four equivalent Fe(1)H6 octahedra. Fe(1) is bonded to six equivalent H(1) atoms to form FeH6 octahedra that share faces with eight equivalent Sr(1)H12 cuboctahedra. H(1) is bonded in a distorted single-bond geometry to four equivalent Sr(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2FeH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.243
_cell_length_b   5.243
_cell_length_c   5.243
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   101.936
_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  0.750  0.750  0.750  1.0
  Sr  Sr1  1  0.250  0.250  0.250  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.782  0.782  0.218  1.0
  H  H4  1  0.218  0.782  0.218  1.0
  H  H5  1  0.782  0.218  0.218  1.0
  H  H6  1  0.218  0.218  0.782  1.0
  H  H7  1  0.782  0.218  0.782  1.0
  H  H8  1  0.218  0.782  0.782  1.0
[/CIF]
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