The material structure described by Na2Mo4Ni4(HO4)5 crystallizes in the triclinic P-1 space group. Na(1) is bonded to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form NaO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Mo(1)O4 tetrahedra, and corners with three equivalent Mo(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(2), one O(3), and one O(5) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-69°. In the second Mo site, Mo(2) is bonded to one O(6), one O(7), one O(8), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-69°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the third Ni site, Ni(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the third H site, H(3) is bonded in a linear geometry to two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), and one H(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Na(1), one Mo(1), and one Ni(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one H(2) atom. In the fourth O site, O(4) is bonded to one Ni(2), one Ni(3), one H(2), and one H(3) atom to form distorted corner-sharing ONi2H2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mo(1), one Ni(1), and one Ni(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Na(1), one Mo(2), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(1), one Mo(2), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Na(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(2), one Ni(2), and one Ni(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Na(1), one Mo(1), and one Ni(3) atom. is represented by the CIF file [CIF]
data_Na2Ni4Mo4(HO4)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   11.395
_cell_length_c   11.115
_cell_angle_alpha   39.885
_cell_angle_beta   63.618
_cell_angle_gamma   68.084
_symmetry_Int_Tables_number   1
_cell_volume   413.764
_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
  Na  Na0  1  0.500  0.499  0.501  1.0
  Na  Na1  1  0.500  0.001  0.499  1.0
  Ni  Ni2  1  0.000  0.250  0.000  1.0
  Ni  Ni3  1  0.502  0.001  0.998  1.0
  Ni  Ni4  1  0.498  0.499  0.002  1.0
  Ni  Ni5  1  0.000  0.750  0.000  1.0
  Mo  Mo6  1  0.076  0.180  0.717  1.0
  Mo  Mo7  1  0.078  0.680  0.718  1.0
  Mo  Mo8  1  0.924  0.320  0.283  1.0
  Mo  Mo9  1  0.922  0.820  0.282  1.0
  H  H10  1  0.321  0.049  0.222  1.0
  H  H11  1  0.317  0.548  0.222  1.0
  H  H12  1  0.500  0.750  0.000  1.0
  H  H13  1  0.679  0.451  0.778  1.0
  H  H14  1  0.683  0.952  0.778  1.0
  O  O15  1  0.335  0.126  0.085  1.0
  O  O16  1  0.271  0.278  0.260  1.0
  O  O17  1  0.235  0.377  0.482  1.0
  O  O18  1  0.354  0.638  0.079  1.0
  O  O19  1  0.164  0.138  0.890  1.0
  O  O20  1  0.813  0.006  0.258  1.0
  O  O21  1  0.269  0.776  0.259  1.0
  O  O22  1  0.187  0.494  0.742  1.0
  O  O23  1  0.836  0.362  0.110  1.0
  O  O24  1  0.765  0.123  0.518  1.0
  O  O25  1  0.238  0.877  0.483  1.0
  O  O26  1  0.167  0.639  0.891  1.0
  O  O27  1  0.813  0.506  0.259  1.0
  O  O28  1  0.729  0.222  0.740  1.0
  O  O29  1  0.187  0.994  0.741  1.0
  O  O30  1  0.833  0.861  0.109  1.0
  O  O31  1  0.665  0.374  0.915  1.0
  O  O32  1  0.762  0.623  0.517  1.0
  O  O33  1  0.731  0.724  0.741  1.0
  O  O34  1  0.646  0.862  0.921  1.0
[/CIF]
.
The material structure described by Na2Mo4Ni4(HO4)5 crystallizes in the triclinic P-1 space group. Na(1) is bonded to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form NaO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Mo(1)O4 tetrahedra, and corners with three equivalent Mo(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-64°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(10), one O(2), one O(3), and one O(5) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-69°. In the second Mo site, Mo(2) is bonded to one O(6), one O(7), one O(8), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with three equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-69°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. In the third Ni site, Ni(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(9) atoms to form NiO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) and one O(4) atom. In the third H site, H(3) is bonded in a linear geometry to two equivalent O(4) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), and one H(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Na(1), one Mo(1), and one Ni(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mo(1), and one H(2) atom. In the fourth O site, O(4) is bonded to one Ni(2), one Ni(3), one H(2), and one H(3) atom to form distorted corner-sharing ONi2H2 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mo(1), one Ni(1), and one Ni(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Na(1), one Mo(2), and one Ni(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(1), one Mo(2), and one Ni(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Na(1) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(2), one Ni(2), and one Ni(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Na(1), one Mo(1), and one Ni(3) atom. is represented by the CIF file [CIF]
data_Na2Ni4Mo4(HO4)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   11.395
_cell_length_c   11.115
_cell_angle_alpha   39.885
_cell_angle_beta   63.618
_cell_angle_gamma   68.084
_symmetry_Int_Tables_number   1
_cell_volume   413.764
_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
  Na  Na0  1  0.500  0.499  0.501  1.0
  Na  Na1  1  0.500  0.001  0.499  1.0
  Ni  Ni2  1  0.000  0.250  0.000  1.0
  Ni  Ni3  1  0.502  0.001  0.998  1.0
  Ni  Ni4  1  0.498  0.499  0.002  1.0
  Ni  Ni5  1  0.000  0.750  0.000  1.0
  Mo  Mo6  1  0.076  0.180  0.717  1.0
  Mo  Mo7  1  0.078  0.680  0.718  1.0
  Mo  Mo8  1  0.924  0.320  0.283  1.0
  Mo  Mo9  1  0.922  0.820  0.282  1.0
  H  H10  1  0.321  0.049  0.222  1.0
  H  H11  1  0.317  0.548  0.222  1.0
  H  H12  1  0.500  0.750  0.000  1.0
  H  H13  1  0.679  0.451  0.778  1.0
  H  H14  1  0.683  0.952  0.778  1.0
  O  O15  1  0.335  0.126  0.085  1.0
  O  O16  1  0.271  0.278  0.260  1.0
  O  O17  1  0.235  0.377  0.482  1.0
  O  O18  1  0.354  0.638  0.079  1.0
  O  O19  1  0.164  0.138  0.890  1.0
  O  O20  1  0.813  0.006  0.258  1.0
  O  O21  1  0.269  0.776  0.259  1.0
  O  O22  1  0.187  0.494  0.742  1.0
  O  O23  1  0.836  0.362  0.110  1.0
  O  O24  1  0.765  0.123  0.518  1.0
  O  O25  1  0.238  0.877  0.483  1.0
  O  O26  1  0.167  0.639  0.891  1.0
  O  O27  1  0.813  0.506  0.259  1.0
  O  O28  1  0.729  0.222  0.740  1.0
  O  O29  1  0.187  0.994  0.741  1.0
  O  O30  1  0.833  0.861  0.109  1.0
  O  O31  1  0.665  0.374  0.915  1.0
  O  O32  1  0.762  0.623  0.517  1.0
  O  O33  1  0.731  0.724  0.741  1.0
  O  O34  1  0.646  0.862  0.921  1.0
[/CIF]
.