The material described by CaPdH2 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent H(1) atoms. H(1) is bonded to four equivalent Ca(1) and two equivalent Pd(1) atoms to form a mixture of face, corner, and edge-sharing HCa4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the CIF card [CIF]
data_CaH2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.731
_cell_length_b   3.731
_cell_length_c   3.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   48.049
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  H  H1  1  0.500  0.000  0.000  1.0
  H  H2  1  0.000  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by CaPdH2 crystallizes in the tetragonal P4/mmm space group. Ca(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. Pd(1) is bonded in a square co-planar geometry to four equivalent H(1) atoms. H(1) is bonded to four equivalent Ca(1) and two equivalent Pd(1) atoms to form a mixture of face, corner, and edge-sharing HCa4Pd2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. is represented by the CIF card [CIF]
data_CaH2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.731
_cell_length_b   3.731
_cell_length_c   3.452
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   48.049
_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
  Ca  Ca0  1  0.500  0.500  0.500  1.0
  H  H1  1  0.500  0.000  0.000  1.0
  H  H2  1  0.000  0.500  0.000  1.0
  Pd  Pd3  1  0.000  0.000  0.000  1.0
[/CIF]
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