The crystal structure described by FeH3 crystallizes in the cubic Pm-3n space group. Fe(1) is bonded to twelve equivalent H(1) atoms to form a mixture of edge and face-sharing FeH12 cuboctahedra. H(1) is bonded to four equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing HFe4 tetrahedra. is represented by the CIF file [CIF]
data_FeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.285
_cell_length_b   3.285
_cell_length_c   3.285
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   35.440
_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
  Fe  Fe0  1  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.500  0.000  0.750  1.0
  H  H3  1  0.000  0.250  0.500  1.0
  H  H4  1  0.750  0.500  0.000  1.0
  H  H5  1  0.500  0.000  0.250  1.0
  H  H6  1  0.000  0.750  0.500  1.0
  H  H7  1  0.250  0.500  0.000  1.0
[/CIF]
.
The crystal structure described by FeH3 crystallizes in the cubic Pm-3n space group. Fe(1) is bonded to twelve equivalent H(1) atoms to form a mixture of edge and face-sharing FeH12 cuboctahedra. H(1) is bonded to four equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing HFe4 tetrahedra. is represented by the CIF file [CIF]
data_FeH3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.285
_cell_length_b   3.285
_cell_length_c   3.285
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   35.440
_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
  Fe  Fe0  1  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.500  0.000  0.750  1.0
  H  H3  1  0.000  0.250  0.500  1.0
  H  H4  1  0.750  0.500  0.000  1.0
  H  H5  1  0.500  0.000  0.250  1.0
  H  H6  1  0.000  0.750  0.500  1.0
  H  H7  1  0.250  0.500  0.000  1.0
[/CIF]
.