The material described by Zr2PdH2 crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent H(1) atoms. Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Zr(1) atoms. H(1) is bonded to four equivalent Zr(1) atoms to form a mixture of corner and edge-sharing HZr4 tetrahedra. is represented by the CIF card [CIF]
data_Zr2H2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.189
_cell_length_b   3.189
_cell_length_c   6.807
_cell_angle_alpha   103.549
_cell_angle_beta   103.549
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   65.335
_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
  Zr  Zr0  1  0.643  0.643  0.287  1.0
  Zr  Zr1  1  0.357  0.357  0.713  1.0
  H  H2  1  0.250  0.750  0.500  1.0
  H  H3  1  0.750  0.250  0.500  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Zr2PdH2 crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded in a 8-coordinate geometry to four equivalent Pd(1) and four equivalent H(1) atoms. Pd(1) is bonded in a body-centered cubic geometry to eight equivalent Zr(1) atoms. H(1) is bonded to four equivalent Zr(1) atoms to form a mixture of corner and edge-sharing HZr4 tetrahedra. is represented by the CIF card [CIF]
data_Zr2H2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.189
_cell_length_b   3.189
_cell_length_c   6.807
_cell_angle_alpha   103.549
_cell_angle_beta   103.549
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   65.335
_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
  Zr  Zr0  1  0.643  0.643  0.287  1.0
  Zr  Zr1  1  0.357  0.357  0.713  1.0
  H  H2  1  0.250  0.750  0.500  1.0
  H  H3  1  0.750  0.250  0.500  1.0
  Pd  Pd4  1  0.000  0.000  0.000  1.0
[/CIF]
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