The crystal structure described by Ce2H5 crystallizes in the tetragonal I4_1/amd space group. Ce(1) is bonded in a distorted body-centered cubic geometry to three equivalent H(2) and eight equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Ce(1) atoms to form HCe4 tetrahedra that share corners with six equivalent H(2)Ce6 octahedra, corners with sixteen equivalent H(1)Ce4 tetrahedra, edges with six equivalent H(1)Ce4 tetrahedra, and faces with two equivalent H(2)Ce6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the second H site, H(2) is bonded to six equivalent Ce(1) atoms to form HCe6 octahedra that share corners with four equivalent H(2)Ce6 octahedra, corners with twenty-four equivalent H(1)Ce4 tetrahedra, edges with four equivalent H(2)Ce6 octahedra, and faces with eight equivalent H(1)Ce4 tetrahedra. The corner-sharing octahedral tilt angles are 3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2H5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.520
_cell_length_b   5.520
_cell_length_c   6.805
_cell_angle_alpha   113.927
_cell_angle_beta   113.927
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.820
_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
  Ce  Ce0  1  0.250  0.750  0.500  1.0
  Ce  Ce1  1  1.000  1.000  1.000  1.0
  Ce  Ce2  1  0.738  0.238  0.475  1.0
  Ce  Ce3  1  0.488  0.488  0.975  1.0
  H  H4  1  0.640  0.619  0.738  1.0
  H  H5  1  0.097  0.119  0.738  1.0
  H  H6  1  0.369  0.847  0.238  1.0
  H  H7  1  0.869  0.390  0.238  1.0
  H  H8  1  0.097  0.619  0.738  1.0
  H  H9  1  0.640  0.119  0.738  1.0
  H  H10  1  0.869  0.847  0.238  1.0
  H  H11  1  0.369  0.390  0.238  1.0
  H  H12  1  0.493  0.993  0.987  1.0
  H  H13  1  0.243  0.243  0.487  1.0
[/CIF]
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The crystal structure described by Ce2H5 crystallizes in the tetragonal I4_1/amd space group. Ce(1) is bonded in a distorted body-centered cubic geometry to three equivalent H(2) and eight equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Ce(1) atoms to form HCe4 tetrahedra that share corners with six equivalent H(2)Ce6 octahedra, corners with sixteen equivalent H(1)Ce4 tetrahedra, edges with six equivalent H(1)Ce4 tetrahedra, and faces with two equivalent H(2)Ce6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the second H site, H(2) is bonded to six equivalent Ce(1) atoms to form HCe6 octahedra that share corners with four equivalent H(2)Ce6 octahedra, corners with twenty-four equivalent H(1)Ce4 tetrahedra, edges with four equivalent H(2)Ce6 octahedra, and faces with eight equivalent H(1)Ce4 tetrahedra. The corner-sharing octahedral tilt angles are 3°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2H5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.520
_cell_length_b   5.520
_cell_length_c   6.805
_cell_angle_alpha   113.927
_cell_angle_beta   113.927
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.820
_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
  Ce  Ce0  1  0.250  0.750  0.500  1.0
  Ce  Ce1  1  1.000  1.000  1.000  1.0
  Ce  Ce2  1  0.738  0.238  0.475  1.0
  Ce  Ce3  1  0.488  0.488  0.975  1.0
  H  H4  1  0.640  0.619  0.738  1.0
  H  H5  1  0.097  0.119  0.738  1.0
  H  H6  1  0.369  0.847  0.238  1.0
  H  H7  1  0.869  0.390  0.238  1.0
  H  H8  1  0.097  0.619  0.738  1.0
  H  H9  1  0.640  0.119  0.738  1.0
  H  H10  1  0.869  0.847  0.238  1.0
  H  H11  1  0.369  0.390  0.238  1.0
  H  H12  1  0.493  0.993  0.987  1.0
  H  H13  1  0.243  0.243  0.487  1.0
[/CIF]
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