The crystal structure described by Zr4Ni2H9 crystallizes in the triclinic P-1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to one H(1), one H(5), one H(7), one H(9), two equivalent H(4), and two equivalent H(6) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to one H(3), one H(5), one H(9), two equivalent H(2), and two equivalent H(8) atoms. In the third Zr site, Zr(3) is bonded in a 8-coordinate geometry to one H(1), one H(3), one H(4), one H(5), one H(6), one H(8), and two equivalent H(7) atoms. In the fourth Zr site, Zr(4) is bonded in a 8-coordinate geometry to one H(1), one H(3), one H(4), one H(5), one H(8), one H(9), and two equivalent H(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted T-shaped geometry to one H(1), one H(6), and one H(7) atom. In the second Ni site, Ni(2) is bonded in an L-shaped geometry to one H(3) and one H(9) atom. There are nine inequivalent H sites. In the first H site, H(1) is bonded to one Zr(1), one Zr(3), one Zr(4), and one Ni(1) atom to form HZr3Ni tetrahedra that share corners with two equivalent H(6)Zr3Ni tetrahedra, corners with two equivalent H(7)Zr3Ni tetrahedra, corners with two equivalent H(9)Zr3Ni tetrahedra, corners with two equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr4 tetrahedra, corners with two equivalent H(8)Zr4 tetrahedra, corners with three equivalent H(5)Zr4 tetrahedra,  an edgeedge with one H(3)Zr3Ni tetrahedra,  an edgeedge with one H(6)Zr3Ni tetrahedra,  an edgeedge with one H(7)Zr3Ni tetrahedra, and  an edgeedge with one H(4)Zr4 tetrahedra. In the second H site, H(2) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form HZr4 tetrahedra that share corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(3)Zr3Ni tetrahedra, corners with two equivalent H(4)Zr4 tetrahedra, corners with two equivalent H(5)Zr4 tetrahedra, corners with four equivalent H(9)Zr3Ni tetrahedra, corners with four equivalent H(8)Zr4 tetrahedra,  an edgeedge with one H(3)Zr3Ni tetrahedra,  an edgeedge with one H(5)Zr4 tetrahedra,  an edgeedge with one H(8)Zr4 tetrahedra, and edges with two equivalent H(2)Zr4 tetrahedra. In the third H site, H(3) is bonded to one Zr(2), one Zr(3), one Zr(4), and one Ni(2) atom to form HZr3Ni tetrahedra that share  a cornercorner with one H(6)Zr3Ni tetrahedra,  a cornercorner with one H(9)Zr3Ni tetrahedra, corners with two equivalent H(7)Zr3Ni tetrahedra, corners with two equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr4 tetrahedra, corners with two equivalent H(8)Zr4 tetrahedra, corners with three equivalent H(5)Zr4 tetrahedra,  an edgeedge with one H(1)Zr3Ni tetrahedra,  an edgeedge with one H(9)Zr3Ni tetrahedra,  an edgeedge with one H(2)Zr4 tetrahedra, and  an edgeedge with one H(8)Zr4 tetrahedra. In the fourth H site, H(4) is bonded to one Zr(3), one Zr(4), and two equivalent Zr(1) atoms to form HZr4 tetrahedra that share  a cornercorner with one H(9)Zr3Ni tetrahedra, corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(3)Zr3Ni tetrahedra, corners with two equivalent H(7)Zr3Ni tetrahedra, corners with two equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(5)Zr4 tetrahedra, corners with three equivalent H(6)Zr3Ni tetrahedra,  an edgeedge with one H(1)Zr3Ni tetrahedra,  an edgeedge with one H(6)Zr3Ni tetrahedra,  an edgeedge with one H(7)Zr3Ni tetrahedra,  an edgeedge with one H(9)Zr3Ni tetrahedra,  an edgeedge with one H(4)Zr4 tetrahedra,  an edgeedge with one H(5)Zr4 tetrahedra, and  an edgeedge with one H(8)Zr4 tetrahedra. In the fifth H site, H(5) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom to form HZr4 tetrahedra that share  a cornercorner with one H(6)Zr3Ni tetrahedra,  a cornercorner with one H(9)Zr3Ni tetrahedra, corners with two equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr4 tetrahedra, corners with two equivalent H(8)Zr4 tetrahedra, corners with three equivalent H(1)Zr3Ni tetrahedra, corners with three equivalent H(3)Zr3Ni tetrahedra, corners with three equivalent H(7)Zr3Ni tetrahedra,  an edgeedge with one H(6)Zr3Ni tetrahedra,  an edgeedge with one H(9)Zr3Ni tetrahedra,  an edgeedge with one H(2)Zr4 tetrahedra,  an edgeedge with one H(4)Zr4 tetrahedra, and  an edgeedge with one H(8)Zr4 tetrahedra. In the sixth H site, H(6) is bonded to one Zr(3), two equivalent Zr(1), and one Ni(1) atom to form HZr3Ni tetrahedra that share  a cornercorner with one H(3)Zr3Ni tetrahedra,  a cornercorner with one H(5)Zr4 tetrahedra,  a cornercorner with one H(8)Zr4 tetrahedra, corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(9)Zr3Ni tetrahedra, corners with three equivalent H(7)Zr3Ni tetrahedra, corners with three equivalent H(4)Zr4 tetrahedra,  an edgeedge with one H(1)Zr3Ni tetrahedra,  an edgeedge with one H(6)Zr3Ni tetrahedra,  an edgeedge with one H(7)Zr3Ni tetrahedra,  an edgeedge with one H(4)Zr4 tetrahedra, and  an edgeedge with one H(5)Zr4 tetrahedra. In the seventh H site, H(7) is bonded to one Zr(1), two equivalent Zr(3), and one Ni(1) atom to form HZr3Ni tetrahedra that share  a cornercorner with one H(9)Zr3Ni tetrahedra, corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(3)Zr3Ni tetrahedra, corners with two equivalent H(4)Zr4 tetrahedra, corners with two equivalent H(8)Zr4 tetrahedra, corners with three equivalent H(6)Zr3Ni tetrahedra, corners with three equivalent H(5)Zr4 tetrahedra,  an edgeedge with one H(1)Zr3Ni tetrahedra,  an edgeedge with one H(6)Zr3Ni tetrahedra,  an edgeedge with one H(7)Zr3Ni tetrahedra, and  an edgeedge with one H(4)Zr4 tetrahedra. In the eighth H site, H(8) is bonded to one Zr(3), one Zr(4), and two equivalent Zr(2) atoms to form HZr4 tetrahedra that share  a cornercorner with one H(6)Zr3Ni tetrahedra,  a cornercorner with one H(9)Zr3Ni tetrahedra, corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(3)Zr3Ni tetrahedra, corners with two equivalent H(7)Zr3Ni tetrahedra, corners with two equivalent H(5)Zr4 tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra,  an edgeedge with one H(3)Zr3Ni tetrahedra,  an edgeedge with one H(9)Zr3Ni tetrahedra,  an edgeedge with one H(2)Zr4 tetrahedra,  an edgeedge with one H(4)Zr4 tetrahedra,  an edgeedge with one H(5)Zr4 tetrahedra, and  an edgeedge with one H(8)Zr4 tetrahedra. In the ninth H site, H(9) is bonded to one Zr(1), one Zr(2), one Zr(4), and one Ni(2) atom to form distorted HZr3Ni tetrahedra that share  a cornercorner with one H(3)Zr3Ni tetrahedra,  a cornercorner with one H(7)Zr3Ni tetrahedra,  a cornercorner with one H(4)Zr4 tetrahedra,  a cornercorner with one H(5)Zr4 tetrahedra,  a cornercorner with one H(8)Zr4 tetrahedra, corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(6)Zr3Ni tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra,  an edgeedge with one H(3)Zr3Ni tetrahedra,  an edgeedge with one H(4)Zr4 tetrahedra,  an edgeedge with one H(5)Zr4 tetrahedra, and  an edgeedge with one H(8)Zr4 tetrahedra. is represented by the CIF file [CIF]
data_Zr4Ni2H9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.616
_cell_length_b   5.630
_cell_length_c   8.880
_cell_angle_alpha   82.008
_cell_angle_beta   82.306
_cell_angle_gamma   74.920
_symmetry_Int_Tables_number   1
_cell_volume   267.014
_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
  Zr  Zr0  1  0.749  0.602  0.920  1.0
  Zr  Zr1  1  0.251  0.398  0.080  1.0
  Zr  Zr2  1  0.747  0.926  0.579  1.0
  Zr  Zr3  1  0.253  0.074  0.421  1.0
  Zr  Zr4  1  0.179  0.983  0.833  1.0
  Zr  Zr5  1  0.821  0.017  0.167  1.0
  Zr  Zr6  1  0.334  0.504  0.662  1.0
  Zr  Zr7  1  0.666  0.496  0.338  1.0
  Ni  Ni8  1  0.350  0.851  0.151  1.0
  Ni  Ni9  1  0.650  0.149  0.849  1.0
  Ni  Ni10  1  0.128  0.626  0.373  1.0
  Ni  Ni11  1  0.872  0.374  0.627  1.0
  H  H12  1  0.650  0.748  0.143  1.0
  H  H13  1  0.350  0.252  0.857  1.0
  H  H14  1  0.502  0.748  0.502  1.0
  H  H15  1  0.498  0.252  0.498  1.0
  H  H16  1  0.836  0.771  0.364  1.0
  H  H17  1  0.164  0.229  0.636  1.0
  H  H18  1  0.872  0.384  0.123  1.0
  H  H19  1  0.128  0.616  0.877  1.0
  H  H20  1  0.507  0.759  0.749  1.0
  H  H21  1  0.493  0.241  0.251  1.0
  H  H22  1  0.621  0.290  0.003  1.0
  H  H23  1  0.379  0.710  0.997  1.0
  H  H24  1  0.153  0.070  0.058  1.0
  H  H25  1  0.847  0.930  0.942  1.0
  H  H26  1  0.121  0.872  0.621  1.0
  H  H27  1  0.879  0.128  0.379  1.0
  H  H28  1  0.077  0.400  0.299  1.0
  H  H29  1  0.923  0.600  0.701  1.0
[/CIF]
.
The crystal structure described by Zr4Ni2H9 crystallizes in the triclinic P-1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to one H(1), one H(5), one H(7), one H(9), two equivalent H(4), and two equivalent H(6) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to one H(3), one H(5), one H(9), two equivalent H(2), and two equivalent H(8) atoms. In the third Zr site, Zr(3) is bonded in a 8-coordinate geometry to one H(1), one H(3), one H(4), one H(5), one H(6), one H(8), and two equivalent H(7) atoms. In the fourth Zr site, Zr(4) is bonded in a 8-coordinate geometry to one H(1), one H(3), one H(4), one H(5), one H(8), one H(9), and two equivalent H(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted T-shaped geometry to one H(1), one H(6), and one H(7) atom. In the second Ni site, Ni(2) is bonded in an L-shaped geometry to one H(3) and one H(9) atom. There are nine inequivalent H sites. In the first H site, H(1) is bonded to one Zr(1), one Zr(3), one Zr(4), and one Ni(1) atom to form HZr3Ni tetrahedra that share corners with two equivalent H(6)Zr3Ni tetrahedra, corners with two equivalent H(7)Zr3Ni tetrahedra, corners with two equivalent H(9)Zr3Ni tetrahedra, corners with two equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr4 tetrahedra, corners with two equivalent H(8)Zr4 tetrahedra, corners with three equivalent H(5)Zr4 tetrahedra,  an edgeedge with one H(3)Zr3Ni tetrahedra,  an edgeedge with one H(6)Zr3Ni tetrahedra,  an edgeedge with one H(7)Zr3Ni tetrahedra, and  an edgeedge with one H(4)Zr4 tetrahedra. In the second H site, H(2) is bonded to two equivalent Zr(2) and two equivalent Zr(4) atoms to form HZr4 tetrahedra that share corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(3)Zr3Ni tetrahedra, corners with two equivalent H(4)Zr4 tetrahedra, corners with two equivalent H(5)Zr4 tetrahedra, corners with four equivalent H(9)Zr3Ni tetrahedra, corners with four equivalent H(8)Zr4 tetrahedra,  an edgeedge with one H(3)Zr3Ni tetrahedra,  an edgeedge with one H(5)Zr4 tetrahedra,  an edgeedge with one H(8)Zr4 tetrahedra, and edges with two equivalent H(2)Zr4 tetrahedra. In the third H site, H(3) is bonded to one Zr(2), one Zr(3), one Zr(4), and one Ni(2) atom to form HZr3Ni tetrahedra that share  a cornercorner with one H(6)Zr3Ni tetrahedra,  a cornercorner with one H(9)Zr3Ni tetrahedra, corners with two equivalent H(7)Zr3Ni tetrahedra, corners with two equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr4 tetrahedra, corners with two equivalent H(8)Zr4 tetrahedra, corners with three equivalent H(5)Zr4 tetrahedra,  an edgeedge with one H(1)Zr3Ni tetrahedra,  an edgeedge with one H(9)Zr3Ni tetrahedra,  an edgeedge with one H(2)Zr4 tetrahedra, and  an edgeedge with one H(8)Zr4 tetrahedra. In the fourth H site, H(4) is bonded to one Zr(3), one Zr(4), and two equivalent Zr(1) atoms to form HZr4 tetrahedra that share  a cornercorner with one H(9)Zr3Ni tetrahedra, corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(3)Zr3Ni tetrahedra, corners with two equivalent H(7)Zr3Ni tetrahedra, corners with two equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(5)Zr4 tetrahedra, corners with three equivalent H(6)Zr3Ni tetrahedra,  an edgeedge with one H(1)Zr3Ni tetrahedra,  an edgeedge with one H(6)Zr3Ni tetrahedra,  an edgeedge with one H(7)Zr3Ni tetrahedra,  an edgeedge with one H(9)Zr3Ni tetrahedra,  an edgeedge with one H(4)Zr4 tetrahedra,  an edgeedge with one H(5)Zr4 tetrahedra, and  an edgeedge with one H(8)Zr4 tetrahedra. In the fifth H site, H(5) is bonded to one Zr(1), one Zr(2), one Zr(3), and one Zr(4) atom to form HZr4 tetrahedra that share  a cornercorner with one H(6)Zr3Ni tetrahedra,  a cornercorner with one H(9)Zr3Ni tetrahedra, corners with two equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr4 tetrahedra, corners with two equivalent H(8)Zr4 tetrahedra, corners with three equivalent H(1)Zr3Ni tetrahedra, corners with three equivalent H(3)Zr3Ni tetrahedra, corners with three equivalent H(7)Zr3Ni tetrahedra,  an edgeedge with one H(6)Zr3Ni tetrahedra,  an edgeedge with one H(9)Zr3Ni tetrahedra,  an edgeedge with one H(2)Zr4 tetrahedra,  an edgeedge with one H(4)Zr4 tetrahedra, and  an edgeedge with one H(8)Zr4 tetrahedra. In the sixth H site, H(6) is bonded to one Zr(3), two equivalent Zr(1), and one Ni(1) atom to form HZr3Ni tetrahedra that share  a cornercorner with one H(3)Zr3Ni tetrahedra,  a cornercorner with one H(5)Zr4 tetrahedra,  a cornercorner with one H(8)Zr4 tetrahedra, corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(9)Zr3Ni tetrahedra, corners with three equivalent H(7)Zr3Ni tetrahedra, corners with three equivalent H(4)Zr4 tetrahedra,  an edgeedge with one H(1)Zr3Ni tetrahedra,  an edgeedge with one H(6)Zr3Ni tetrahedra,  an edgeedge with one H(7)Zr3Ni tetrahedra,  an edgeedge with one H(4)Zr4 tetrahedra, and  an edgeedge with one H(5)Zr4 tetrahedra. In the seventh H site, H(7) is bonded to one Zr(1), two equivalent Zr(3), and one Ni(1) atom to form HZr3Ni tetrahedra that share  a cornercorner with one H(9)Zr3Ni tetrahedra, corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(3)Zr3Ni tetrahedra, corners with two equivalent H(4)Zr4 tetrahedra, corners with two equivalent H(8)Zr4 tetrahedra, corners with three equivalent H(6)Zr3Ni tetrahedra, corners with three equivalent H(5)Zr4 tetrahedra,  an edgeedge with one H(1)Zr3Ni tetrahedra,  an edgeedge with one H(6)Zr3Ni tetrahedra,  an edgeedge with one H(7)Zr3Ni tetrahedra, and  an edgeedge with one H(4)Zr4 tetrahedra. In the eighth H site, H(8) is bonded to one Zr(3), one Zr(4), and two equivalent Zr(2) atoms to form HZr4 tetrahedra that share  a cornercorner with one H(6)Zr3Ni tetrahedra,  a cornercorner with one H(9)Zr3Ni tetrahedra, corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(3)Zr3Ni tetrahedra, corners with two equivalent H(7)Zr3Ni tetrahedra, corners with two equivalent H(5)Zr4 tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra,  an edgeedge with one H(3)Zr3Ni tetrahedra,  an edgeedge with one H(9)Zr3Ni tetrahedra,  an edgeedge with one H(2)Zr4 tetrahedra,  an edgeedge with one H(4)Zr4 tetrahedra,  an edgeedge with one H(5)Zr4 tetrahedra, and  an edgeedge with one H(8)Zr4 tetrahedra. In the ninth H site, H(9) is bonded to one Zr(1), one Zr(2), one Zr(4), and one Ni(2) atom to form distorted HZr3Ni tetrahedra that share  a cornercorner with one H(3)Zr3Ni tetrahedra,  a cornercorner with one H(7)Zr3Ni tetrahedra,  a cornercorner with one H(4)Zr4 tetrahedra,  a cornercorner with one H(5)Zr4 tetrahedra,  a cornercorner with one H(8)Zr4 tetrahedra, corners with two equivalent H(1)Zr3Ni tetrahedra, corners with two equivalent H(6)Zr3Ni tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra,  an edgeedge with one H(3)Zr3Ni tetrahedra,  an edgeedge with one H(4)Zr4 tetrahedra,  an edgeedge with one H(5)Zr4 tetrahedra, and  an edgeedge with one H(8)Zr4 tetrahedra. is represented by the CIF file [CIF]
data_Zr4Ni2H9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.616
_cell_length_b   5.630
_cell_length_c   8.880
_cell_angle_alpha   82.008
_cell_angle_beta   82.306
_cell_angle_gamma   74.920
_symmetry_Int_Tables_number   1
_cell_volume   267.014
_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
  Zr  Zr0  1  0.749  0.602  0.920  1.0
  Zr  Zr1  1  0.251  0.398  0.080  1.0
  Zr  Zr2  1  0.747  0.926  0.579  1.0
  Zr  Zr3  1  0.253  0.074  0.421  1.0
  Zr  Zr4  1  0.179  0.983  0.833  1.0
  Zr  Zr5  1  0.821  0.017  0.167  1.0
  Zr  Zr6  1  0.334  0.504  0.662  1.0
  Zr  Zr7  1  0.666  0.496  0.338  1.0
  Ni  Ni8  1  0.350  0.851  0.151  1.0
  Ni  Ni9  1  0.650  0.149  0.849  1.0
  Ni  Ni10  1  0.128  0.626  0.373  1.0
  Ni  Ni11  1  0.872  0.374  0.627  1.0
  H  H12  1  0.650  0.748  0.143  1.0
  H  H13  1  0.350  0.252  0.857  1.0
  H  H14  1  0.502  0.748  0.502  1.0
  H  H15  1  0.498  0.252  0.498  1.0
  H  H16  1  0.836  0.771  0.364  1.0
  H  H17  1  0.164  0.229  0.636  1.0
  H  H18  1  0.872  0.384  0.123  1.0
  H  H19  1  0.128  0.616  0.877  1.0
  H  H20  1  0.507  0.759  0.749  1.0
  H  H21  1  0.493  0.241  0.251  1.0
  H  H22  1  0.621  0.290  0.003  1.0
  H  H23  1  0.379  0.710  0.997  1.0
  H  H24  1  0.153  0.070  0.058  1.0
  H  H25  1  0.847  0.930  0.942  1.0
  H  H26  1  0.121  0.872  0.621  1.0
  H  H27  1  0.879  0.128  0.379  1.0
  H  H28  1  0.077  0.400  0.299  1.0
  H  H29  1  0.923  0.600  0.701  1.0
[/CIF]
.