The material structure described by Er3Ni6Al2H7 crystallizes in the cubic Im-3m space group. Er(1) is bonded in a 4-coordinate geometry to four equivalent H(1) atoms. Ni(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Al(1) and two equivalent H(2) atoms. Al(1) is bonded in a distorted linear geometry to six equivalent Ni(1) and two equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to three equivalent Er(1) and one Al(1) atom to form a mixture of edge and corner-sharing HEr3Al tetrahedra. In the second H site, H(2) is bonded to four equivalent Ni(1) atoms to form distorted corner-sharing HNi4 tetrahedra. is represented by the CIF card [CIF]
data_Er3Al2Ni6H7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.897
_cell_length_b   7.897
_cell_length_c   7.897
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   379.065
_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
  Er  Er0  1  0.719  0.719  0.000  1.0
  Er  Er1  1  0.281  0.000  0.281  1.0
  Er  Er2  1  0.000  0.281  0.281  1.0
  Er  Er3  1  0.281  0.281  0.000  1.0
  Er  Er4  1  0.719  0.000  0.719  1.0
  Er  Er5  1  0.000  0.719  0.719  1.0
  Al  Al6  1  0.000  0.000  0.500  1.0
  Al  Al7  1  0.000  0.500  0.000  1.0
  Al  Al8  1  0.500  0.000  0.000  1.0
  Al  Al9  1  0.500  0.500  0.500  1.0
  Ni  Ni10  1  0.332  0.332  0.664  1.0
  Ni  Ni11  1  0.668  0.000  0.332  1.0
  Ni  Ni12  1  0.000  0.668  0.332  1.0
  Ni  Ni13  1  0.668  0.332  0.000  1.0
  Ni  Ni14  1  0.332  0.664  0.332  1.0
  Ni  Ni15  1  0.000  0.332  0.668  1.0
  Ni  Ni16  1  0.332  0.668  0.000  1.0
  Ni  Ni17  1  0.332  0.000  0.668  1.0
  Ni  Ni18  1  0.664  0.332  0.332  1.0
  Ni  Ni19  1  0.668  0.668  0.336  1.0
  Ni  Ni20  1  0.668  0.336  0.668  1.0
  Ni  Ni21  1  0.336  0.668  0.668  1.0
  H  H22  1  0.000  0.000  0.754  1.0
  H  H23  1  0.000  0.754  0.000  1.0
  H  H24  1  0.754  0.000  0.000  1.0
  H  H25  1  0.246  0.246  0.246  1.0
  H  H26  1  0.000  0.000  0.246  1.0
  H  H27  1  0.000  0.246  0.000  1.0
  H  H28  1  0.246  0.000  0.000  1.0
  H  H29  1  0.754  0.754  0.754  1.0
  H  H30  1  0.500  0.750  0.250  1.0
  H  H31  1  0.250  0.750  0.500  1.0
  H  H32  1  0.250  0.500  0.750  1.0
  H  H33  1  0.500  0.250  0.750  1.0
  H  H34  1  0.750  0.500  0.250  1.0
  H  H35  1  0.750  0.250  0.500  1.0
[/CIF]
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The material structure described by Er3Ni6Al2H7 crystallizes in the cubic Im-3m space group. Er(1) is bonded in a 4-coordinate geometry to four equivalent H(1) atoms. Ni(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Al(1) and two equivalent H(2) atoms. Al(1) is bonded in a distorted linear geometry to six equivalent Ni(1) and two equivalent H(1) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to three equivalent Er(1) and one Al(1) atom to form a mixture of edge and corner-sharing HEr3Al tetrahedra. In the second H site, H(2) is bonded to four equivalent Ni(1) atoms to form distorted corner-sharing HNi4 tetrahedra. is represented by the CIF card [CIF]
data_Er3Al2Ni6H7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.897
_cell_length_b   7.897
_cell_length_c   7.897
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   379.065
_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
  Er  Er0  1  0.719  0.719  0.000  1.0
  Er  Er1  1  0.281  0.000  0.281  1.0
  Er  Er2  1  0.000  0.281  0.281  1.0
  Er  Er3  1  0.281  0.281  0.000  1.0
  Er  Er4  1  0.719  0.000  0.719  1.0
  Er  Er5  1  0.000  0.719  0.719  1.0
  Al  Al6  1  0.000  0.000  0.500  1.0
  Al  Al7  1  0.000  0.500  0.000  1.0
  Al  Al8  1  0.500  0.000  0.000  1.0
  Al  Al9  1  0.500  0.500  0.500  1.0
  Ni  Ni10  1  0.332  0.332  0.664  1.0
  Ni  Ni11  1  0.668  0.000  0.332  1.0
  Ni  Ni12  1  0.000  0.668  0.332  1.0
  Ni  Ni13  1  0.668  0.332  0.000  1.0
  Ni  Ni14  1  0.332  0.664  0.332  1.0
  Ni  Ni15  1  0.000  0.332  0.668  1.0
  Ni  Ni16  1  0.332  0.668  0.000  1.0
  Ni  Ni17  1  0.332  0.000  0.668  1.0
  Ni  Ni18  1  0.664  0.332  0.332  1.0
  Ni  Ni19  1  0.668  0.668  0.336  1.0
  Ni  Ni20  1  0.668  0.336  0.668  1.0
  Ni  Ni21  1  0.336  0.668  0.668  1.0
  H  H22  1  0.000  0.000  0.754  1.0
  H  H23  1  0.000  0.754  0.000  1.0
  H  H24  1  0.754  0.000  0.000  1.0
  H  H25  1  0.246  0.246  0.246  1.0
  H  H26  1  0.000  0.000  0.246  1.0
  H  H27  1  0.000  0.246  0.000  1.0
  H  H28  1  0.246  0.000  0.000  1.0
  H  H29  1  0.754  0.754  0.754  1.0
  H  H30  1  0.500  0.750  0.250  1.0
  H  H31  1  0.250  0.750  0.500  1.0
  H  H32  1  0.250  0.500  0.750  1.0
  H  H33  1  0.500  0.250  0.750  1.0
  H  H34  1  0.750  0.500  0.250  1.0
  H  H35  1  0.750  0.250  0.500  1.0
[/CIF]
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