The structure described by ZrTi(NiH3)2 crystallizes in the orthorhombic Amm2 space group. Zr(1) is bonded in a 9-coordinate geometry to one H(4), two equivalent H(2), two equivalent H(3), and four equivalent H(1) atoms. Ti(1) is bonded in a 9-coordinate geometry to one H(3), two equivalent H(1), two equivalent H(4), and four equivalent H(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to two equivalent H(1) and two equivalent H(3) atoms. In the second Ni site, Ni(2) is bonded in a rectangular see-saw-like geometry to two equivalent H(2) and two equivalent H(4) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Zr(1), one Ti(1), and one Ni(1) atom to form HZr2TiNi tetrahedra that share corners with four equivalent H(1)Zr2TiNi tetrahedra, corners with four equivalent H(2)ZrTi2Ni tetrahedra, corners with three equivalent H(3)Zr2TiNi2 trigonal bipyramids, corners with four equivalent H(4)ZrTi2Ni2 trigonal bipyramids, edges with two equivalent H(1)Zr2TiNi tetrahedra, edges with two equivalent H(2)ZrTi2Ni tetrahedra, and edges with two equivalent H(3)Zr2TiNi2 trigonal bipyramids. In the second H site, H(2) is bonded to one Zr(1), two equivalent Ti(1), and one Ni(2) atom to form distorted HZrTi2Ni tetrahedra that share corners with four equivalent H(1)Zr2TiNi tetrahedra, corners with four equivalent H(2)ZrTi2Ni tetrahedra, corners with three equivalent H(4)ZrTi2Ni2 trigonal bipyramids, corners with four equivalent H(3)Zr2TiNi2 trigonal bipyramids, edges with two equivalent H(1)Zr2TiNi tetrahedra, edges with two equivalent H(2)ZrTi2Ni tetrahedra, and edges with two equivalent H(4)ZrTi2Ni2 trigonal bipyramids. In the third H site, H(3) is bonded to two equivalent Zr(1), one Ti(1), and two equivalent Ni(1) atoms to form HZr2TiNi2 trigonal bipyramids that share corners with six equivalent H(1)Zr2TiNi tetrahedra, corners with eight equivalent H(2)ZrTi2Ni tetrahedra, corners with four equivalent H(3)Zr2TiNi2 trigonal bipyramids, edges with four equivalent H(1)Zr2TiNi tetrahedra, and edges with two equivalent H(4)ZrTi2Ni2 trigonal bipyramids. In the fourth H site, H(4) is bonded to one Zr(1), two equivalent Ti(1), and two equivalent Ni(2) atoms to form HZrTi2Ni2 trigonal bipyramids that share corners with six equivalent H(2)ZrTi2Ni tetrahedra, corners with eight equivalent H(1)Zr2TiNi tetrahedra, corners with four equivalent H(4)ZrTi2Ni2 trigonal bipyramids, edges with four equivalent H(2)ZrTi2Ni tetrahedra, and edges with two equivalent H(3)Zr2TiNi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_ZrTi(NiH3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.435
_cell_length_c   4.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.080
_symmetry_Int_Tables_number   1
_cell_volume   75.857
_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  0.142  0.858  0.000  1.0
  Ti  Ti1  1  0.859  0.141  0.500  1.0
  Ni  Ni2  1  0.566  0.434  0.500  1.0
  Ni  Ni3  1  0.427  0.573  0.000  1.0
  H  H4  1  0.693  0.307  0.743  1.0
  H  H5  1  0.316  0.684  0.726  1.0
  H  H6  1  0.693  0.307  0.257  1.0
  H  H7  1  0.316  0.684  0.274  1.0
  H  H8  1  0.060  0.940  0.500  1.0
  H  H9  1  0.927  0.073  0.000  1.0
[/CIF]
.
The structure described by ZrTi(NiH3)2 crystallizes in the orthorhombic Amm2 space group. Zr(1) is bonded in a 9-coordinate geometry to one H(4), two equivalent H(2), two equivalent H(3), and four equivalent H(1) atoms. Ti(1) is bonded in a 9-coordinate geometry to one H(3), two equivalent H(1), two equivalent H(4), and four equivalent H(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a rectangular see-saw-like geometry to two equivalent H(1) and two equivalent H(3) atoms. In the second Ni site, Ni(2) is bonded in a rectangular see-saw-like geometry to two equivalent H(2) and two equivalent H(4) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded to two equivalent Zr(1), one Ti(1), and one Ni(1) atom to form HZr2TiNi tetrahedra that share corners with four equivalent H(1)Zr2TiNi tetrahedra, corners with four equivalent H(2)ZrTi2Ni tetrahedra, corners with three equivalent H(3)Zr2TiNi2 trigonal bipyramids, corners with four equivalent H(4)ZrTi2Ni2 trigonal bipyramids, edges with two equivalent H(1)Zr2TiNi tetrahedra, edges with two equivalent H(2)ZrTi2Ni tetrahedra, and edges with two equivalent H(3)Zr2TiNi2 trigonal bipyramids. In the second H site, H(2) is bonded to one Zr(1), two equivalent Ti(1), and one Ni(2) atom to form distorted HZrTi2Ni tetrahedra that share corners with four equivalent H(1)Zr2TiNi tetrahedra, corners with four equivalent H(2)ZrTi2Ni tetrahedra, corners with three equivalent H(4)ZrTi2Ni2 trigonal bipyramids, corners with four equivalent H(3)Zr2TiNi2 trigonal bipyramids, edges with two equivalent H(1)Zr2TiNi tetrahedra, edges with two equivalent H(2)ZrTi2Ni tetrahedra, and edges with two equivalent H(4)ZrTi2Ni2 trigonal bipyramids. In the third H site, H(3) is bonded to two equivalent Zr(1), one Ti(1), and two equivalent Ni(1) atoms to form HZr2TiNi2 trigonal bipyramids that share corners with six equivalent H(1)Zr2TiNi tetrahedra, corners with eight equivalent H(2)ZrTi2Ni tetrahedra, corners with four equivalent H(3)Zr2TiNi2 trigonal bipyramids, edges with four equivalent H(1)Zr2TiNi tetrahedra, and edges with two equivalent H(4)ZrTi2Ni2 trigonal bipyramids. In the fourth H site, H(4) is bonded to one Zr(1), two equivalent Ti(1), and two equivalent Ni(2) atoms to form HZrTi2Ni2 trigonal bipyramids that share corners with six equivalent H(2)ZrTi2Ni tetrahedra, corners with eight equivalent H(1)Zr2TiNi tetrahedra, corners with four equivalent H(4)ZrTi2Ni2 trigonal bipyramids, edges with four equivalent H(2)ZrTi2Ni tetrahedra, and edges with two equivalent H(3)Zr2TiNi2 trigonal bipyramids. is represented by the CIF file [CIF]
data_ZrTi(NiH3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.435
_cell_length_c   4.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   143.080
_symmetry_Int_Tables_number   1
_cell_volume   75.857
_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  0.142  0.858  0.000  1.0
  Ti  Ti1  1  0.859  0.141  0.500  1.0
  Ni  Ni2  1  0.566  0.434  0.500  1.0
  Ni  Ni3  1  0.427  0.573  0.000  1.0
  H  H4  1  0.693  0.307  0.743  1.0
  H  H5  1  0.316  0.684  0.726  1.0
  H  H6  1  0.693  0.307  0.257  1.0
  H  H7  1  0.316  0.684  0.274  1.0
  H  H8  1  0.060  0.940  0.500  1.0
  H  H9  1  0.927  0.073  0.000  1.0
[/CIF]
.