The crystal structure described by Na2Mo4Ni4(HO4)5 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. 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), one O(5), and one O(9) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Ni(2)O4 trigonal pyramid,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O4 trigonal pyramid. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O4 trigonal pyramids and edges with two equivalent Mo(1)O5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(10), one O(4), one O(5), and one O(9) atom to form distorted NiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Mo(1)O5 trigonal bipyramid, and  an edgeedge with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 63°. In the third Ni site, Ni(3) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(9) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(4) and one O(8) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(1) and one O(3) 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 3-coordinate geometry to one Ni(1), one H(2), and one O(6) 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(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(1), one Mo(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), one H(1), and one H(3) atom. In the fifth O site, O(5) is bonded to one Mo(1), one Mo(2), one Ni(1), and one Ni(2) atom to form a mixture of corner and edge-sharing ONi2Mo2 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Na(1), one Mo(2), and one O(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and two equivalent Mo(2) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Mo(2), and one H(1) atom. In the ninth O site, O(9) is bonded to one Mo(1), one Mo(2), one Ni(2), and one Ni(3) atom to form a mixture of distorted corner and edge-sharing ONi2Mo2 tetrahedra. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Na(1), one Mo(1), and one Ni(2) atom. is represented by the CIF card [CIF]
data_Na2Ni4Mo4(HO4)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   7.776
_cell_length_c   9.229
_cell_angle_alpha   80.713
_cell_angle_beta   79.619
_cell_angle_gamma   87.681
_symmetry_Int_Tables_number   1
_cell_volume   408.938
_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  0.753  0.717  0.249  1.0
  Na  Na1  1  0.247  0.283  0.751  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.218  0.713  0.791  1.0
  Ni  Ni4  1  0.782  0.287  0.209  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
  Mo  Mo6  1  0.797  0.639  0.656  1.0
  Mo  Mo7  1  0.310  0.026  0.146  1.0
  Mo  Mo8  1  0.203  0.361  0.344  1.0
  Mo  Mo9  1  0.690  0.974  0.854  1.0
  H  H10  1  0.830  0.262  0.917  1.0
  H  H11  1  0.306  0.678  0.391  1.0
  H  H12  1  0.000  0.500  0.000  1.0
  H  H13  1  0.170  0.738  0.083  1.0
  H  H14  1  0.694  0.322  0.609  1.0
  O  O15  1  0.282  0.858  0.435  1.0
  O  O16  1  0.188  0.225  0.519  1.0
  O  O17  1  0.365  0.566  0.346  1.0
  O  O18  1  0.813  0.431  0.012  1.0
  O  O19  1  0.951  0.861  0.732  1.0
  O  O20  1  0.542  0.052  0.678  1.0
  O  O21  1  0.605  0.866  0.048  1.0
  O  O22  1  0.458  0.948  0.322  1.0
  O  O23  1  0.049  0.139  0.268  1.0
  O  O24  1  0.635  0.434  0.654  1.0
  O  O25  1  0.888  0.157  0.871  1.0
  O  O26  1  0.448  0.292  0.190  1.0
  O  O27  1  0.918  0.450  0.316  1.0
  O  O28  1  0.812  0.775  0.481  1.0
  O  O29  1  0.082  0.550  0.684  1.0
  O  O30  1  0.552  0.708  0.810  1.0
  O  O31  1  0.718  0.142  0.565  1.0
  O  O32  1  0.112  0.843  0.129  1.0
  O  O33  1  0.395  0.134  0.952  1.0
  O  O34  1  0.187  0.569  0.988  1.0
[/CIF]
.
The crystal structure described by Na2Mo4Ni4(HO4)5 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(8) atom. 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), one O(5), and one O(9) atom to form distorted MoO5 trigonal bipyramids that share  a cornercorner with one Ni(2)O4 trigonal pyramid,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Ni(2)O4 trigonal pyramid. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(5), one O(6), one O(8), one O(9), and two equivalent O(7) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O4 trigonal pyramids and edges with two equivalent Mo(1)O5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(10), one O(4), one O(5), and one O(9) atom to form distorted NiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Mo(1)O5 trigonal bipyramid, and  an edgeedge with one Mo(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 63°. In the third Ni site, Ni(3) is bonded in a square co-planar geometry to two equivalent O(4) and two equivalent O(9) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted single-bond geometry to one O(4) and one O(8) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(1) and one O(3) 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 3-coordinate geometry to one Ni(1), one H(2), and one O(6) 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(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Na(1), one Mo(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ni(2), one Ni(3), one H(1), and one H(3) atom. In the fifth O site, O(5) is bonded to one Mo(1), one Mo(2), one Ni(1), and one Ni(2) atom to form a mixture of corner and edge-sharing ONi2Mo2 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Na(1), one Mo(2), and one O(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and two equivalent Mo(2) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Na(1), one Mo(2), and one H(1) atom. In the ninth O site, O(9) is bonded to one Mo(1), one Mo(2), one Ni(2), and one Ni(3) atom to form a mixture of distorted corner and edge-sharing ONi2Mo2 tetrahedra. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Na(1), one Mo(1), and one Ni(2) atom. is represented by the CIF card [CIF]
data_Na2Ni4Mo4(HO4)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.871
_cell_length_b   7.776
_cell_length_c   9.229
_cell_angle_alpha   80.713
_cell_angle_beta   79.619
_cell_angle_gamma   87.681
_symmetry_Int_Tables_number   1
_cell_volume   408.938
_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  0.753  0.717  0.249  1.0
  Na  Na1  1  0.247  0.283  0.751  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.218  0.713  0.791  1.0
  Ni  Ni4  1  0.782  0.287  0.209  1.0
  Ni  Ni5  1  0.500  0.500  0.000  1.0
  Mo  Mo6  1  0.797  0.639  0.656  1.0
  Mo  Mo7  1  0.310  0.026  0.146  1.0
  Mo  Mo8  1  0.203  0.361  0.344  1.0
  Mo  Mo9  1  0.690  0.974  0.854  1.0
  H  H10  1  0.830  0.262  0.917  1.0
  H  H11  1  0.306  0.678  0.391  1.0
  H  H12  1  0.000  0.500  0.000  1.0
  H  H13  1  0.170  0.738  0.083  1.0
  H  H14  1  0.694  0.322  0.609  1.0
  O  O15  1  0.282  0.858  0.435  1.0
  O  O16  1  0.188  0.225  0.519  1.0
  O  O17  1  0.365  0.566  0.346  1.0
  O  O18  1  0.813  0.431  0.012  1.0
  O  O19  1  0.951  0.861  0.732  1.0
  O  O20  1  0.542  0.052  0.678  1.0
  O  O21  1  0.605  0.866  0.048  1.0
  O  O22  1  0.458  0.948  0.322  1.0
  O  O23  1  0.049  0.139  0.268  1.0
  O  O24  1  0.635  0.434  0.654  1.0
  O  O25  1  0.888  0.157  0.871  1.0
  O  O26  1  0.448  0.292  0.190  1.0
  O  O27  1  0.918  0.450  0.316  1.0
  O  O28  1  0.812  0.775  0.481  1.0
  O  O29  1  0.082  0.550  0.684  1.0
  O  O30  1  0.552  0.708  0.810  1.0
  O  O31  1  0.718  0.142  0.565  1.0
  O  O32  1  0.112  0.843  0.129  1.0
  O  O33  1  0.395  0.134  0.952  1.0
  O  O34  1  0.187  0.569  0.988  1.0
[/CIF]
.