The compound described by Zr2CuH2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Cu(1) and four equivalent H(1) atoms. Cu(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 file [CIF]
data_Zr2CuH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.330
_cell_length_b   6.330
_cell_length_c   6.330
_cell_angle_alpha   150.172
_cell_angle_beta   150.172
_cell_angle_gamma   42.689
_symmetry_Int_Tables_number   1
_cell_volume   62.582
_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  0.639  0.639  0.000  1.0
  Zr  Zr1  1  0.361  0.361  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.750  0.250  0.500  1.0
  H  H4  1  0.250  0.750  0.500  1.0
[/CIF]
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The compound described by Zr2CuH2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Cu(1) and four equivalent H(1) atoms. Cu(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 file [CIF]
data_Zr2CuH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.330
_cell_length_b   6.330
_cell_length_c   6.330
_cell_angle_alpha   150.172
_cell_angle_beta   150.172
_cell_angle_gamma   42.689
_symmetry_Int_Tables_number   1
_cell_volume   62.582
_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  0.639  0.639  0.000  1.0
  Zr  Zr1  1  0.361  0.361  0.000  1.0
  Cu  Cu2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.750  0.250  0.500  1.0
  H  H4  1  0.250  0.750  0.500  1.0
[/CIF]
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