The structure described by KNiAl2P3(H2O7)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Al(1)O5 trigonal bipyramids, and  an edgeedge with one P(2)O4 tetrahedra. Al(1) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra and corners with three equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Al(1)O5 trigonal bipyramids and  an edgeedge with one Ni(1)O6 octahedra. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(1) is bonded in a single-bond geometry to one O(2) atom. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one Al(1), and one P(1) atom. In the second O site, O(7) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Ni(1), and one P(1) atom. In the fourth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted water-like geometry to one K(1), one Ni(1), one H(1), and one H(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Al(1), and one P(2) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one K(1), one Al(1), and one P(2) atom. is represented by the CIF file [CIF]
data_KAl2NiP3(H2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.338
_cell_length_b   8.338
_cell_length_c   8.774
_cell_angle_alpha   75.880
_cell_angle_beta   75.880
_cell_angle_gamma   75.486
_symmetry_Int_Tables_number   1
_cell_volume   561.777
_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
  K  K0  1  0.135  0.865  0.250  1.0
  K  K1  1  0.865  0.135  0.750  1.0
  Al  Al2  1  0.595  0.749  0.927  1.0
  Al  Al3  1  0.251  0.405  0.573  1.0
  Al  Al4  1  0.405  0.251  0.073  1.0
  Al  Al5  1  0.749  0.595  0.427  1.0
  Ni  Ni6  1  0.226  0.774  0.750  1.0
  Ni  Ni7  1  0.774  0.226  0.250  1.0
  P  P8  1  0.332  0.082  0.826  1.0
  P  P9  1  0.918  0.668  0.674  1.0
  P  P10  1  0.668  0.918  0.174  1.0
  P  P11  1  0.082  0.332  0.326  1.0
  P  P12  1  0.498  0.502  0.750  1.0
  P  P13  1  0.502  0.498  0.250  1.0
  H  H14  1  0.427  0.872  0.459  1.0
  H  H15  1  0.128  0.573  0.041  1.0
  H  H16  1  0.573  0.128  0.541  1.0
  H  H17  1  0.872  0.427  0.959  1.0
  H  H18  1  0.281  0.020  0.520  1.0
  H  H19  1  0.980  0.719  0.980  1.0
  H  H20  1  0.719  0.980  0.480  1.0
  H  H21  1  0.020  0.281  0.020  1.0
  O  O22  1  0.003  0.808  0.679  1.0
  O  O23  1  0.192  0.997  0.821  1.0
  O  O24  1  0.997  0.192  0.321  1.0
  O  O25  1  0.808  0.003  0.179  1.0
  O  O26  1  0.309  0.899  0.516  1.0
  O  O27  1  0.101  0.691  0.984  1.0
  O  O28  1  0.691  0.101  0.484  1.0
  O  O29  1  0.899  0.309  0.016  1.0
  O  O30  1  0.473  0.671  0.807  1.0
  O  O31  1  0.329  0.527  0.693  1.0
  O  O32  1  0.527  0.329  0.193  1.0
  O  O33  1  0.671  0.473  0.307  1.0
  O  O34  1  0.524  0.349  0.887  1.0
  O  O35  1  0.651  0.476  0.613  1.0
  O  O36  1  0.476  0.651  0.113  1.0
  O  O37  1  0.349  0.524  0.387  1.0
  O  O38  1  0.790  0.626  0.834  1.0
  O  O39  1  0.374  0.210  0.666  1.0
  O  O40  1  0.210  0.374  0.166  1.0
  O  O41  1  0.626  0.790  0.334  1.0
  O  O42  1  0.727  0.825  0.031  1.0
  O  O43  1  0.175  0.273  0.469  1.0
  O  O44  1  0.273  0.175  0.969  1.0
  O  O45  1  0.825  0.727  0.531  1.0
  O  O46  1  0.504  0.960  0.841  1.0
  O  O47  1  0.040  0.496  0.659  1.0
  O  O48  1  0.496  0.040  0.159  1.0
  O  O49  1  0.960  0.504  0.341  1.0
[/CIF]
.
The structure described by KNiAl2P3(H2O7)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Al(1)O5 trigonal bipyramids, and  an edgeedge with one P(2)O4 tetrahedra. Al(1) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra and corners with three equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 54°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Al(1)O5 trigonal bipyramids and  an edgeedge with one Ni(1)O6 octahedra. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the second H site, H(1) is bonded in a single-bond geometry to one O(2) atom. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a distorted bent 120 degrees geometry to one K(1), one Al(1), and one P(1) atom. In the second O site, O(7) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Ni(1), and one P(1) atom. In the fourth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a distorted water-like geometry to one K(1), one Ni(1), one H(1), and one H(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Al(1), and one P(2) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one K(1), one Al(1), and one P(2) atom. is represented by the CIF file [CIF]
data_KAl2NiP3(H2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.338
_cell_length_b   8.338
_cell_length_c   8.774
_cell_angle_alpha   75.880
_cell_angle_beta   75.880
_cell_angle_gamma   75.486
_symmetry_Int_Tables_number   1
_cell_volume   561.777
_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
  K  K0  1  0.135  0.865  0.250  1.0
  K  K1  1  0.865  0.135  0.750  1.0
  Al  Al2  1  0.595  0.749  0.927  1.0
  Al  Al3  1  0.251  0.405  0.573  1.0
  Al  Al4  1  0.405  0.251  0.073  1.0
  Al  Al5  1  0.749  0.595  0.427  1.0
  Ni  Ni6  1  0.226  0.774  0.750  1.0
  Ni  Ni7  1  0.774  0.226  0.250  1.0
  P  P8  1  0.332  0.082  0.826  1.0
  P  P9  1  0.918  0.668  0.674  1.0
  P  P10  1  0.668  0.918  0.174  1.0
  P  P11  1  0.082  0.332  0.326  1.0
  P  P12  1  0.498  0.502  0.750  1.0
  P  P13  1  0.502  0.498  0.250  1.0
  H  H14  1  0.427  0.872  0.459  1.0
  H  H15  1  0.128  0.573  0.041  1.0
  H  H16  1  0.573  0.128  0.541  1.0
  H  H17  1  0.872  0.427  0.959  1.0
  H  H18  1  0.281  0.020  0.520  1.0
  H  H19  1  0.980  0.719  0.980  1.0
  H  H20  1  0.719  0.980  0.480  1.0
  H  H21  1  0.020  0.281  0.020  1.0
  O  O22  1  0.003  0.808  0.679  1.0
  O  O23  1  0.192  0.997  0.821  1.0
  O  O24  1  0.997  0.192  0.321  1.0
  O  O25  1  0.808  0.003  0.179  1.0
  O  O26  1  0.309  0.899  0.516  1.0
  O  O27  1  0.101  0.691  0.984  1.0
  O  O28  1  0.691  0.101  0.484  1.0
  O  O29  1  0.899  0.309  0.016  1.0
  O  O30  1  0.473  0.671  0.807  1.0
  O  O31  1  0.329  0.527  0.693  1.0
  O  O32  1  0.527  0.329  0.193  1.0
  O  O33  1  0.671  0.473  0.307  1.0
  O  O34  1  0.524  0.349  0.887  1.0
  O  O35  1  0.651  0.476  0.613  1.0
  O  O36  1  0.476  0.651  0.113  1.0
  O  O37  1  0.349  0.524  0.387  1.0
  O  O38  1  0.790  0.626  0.834  1.0
  O  O39  1  0.374  0.210  0.666  1.0
  O  O40  1  0.210  0.374  0.166  1.0
  O  O41  1  0.626  0.790  0.334  1.0
  O  O42  1  0.727  0.825  0.031  1.0
  O  O43  1  0.175  0.273  0.469  1.0
  O  O44  1  0.273  0.175  0.969  1.0
  O  O45  1  0.825  0.727  0.531  1.0
  O  O46  1  0.504  0.960  0.841  1.0
  O  O47  1  0.040  0.496  0.659  1.0
  O  O48  1  0.496  0.040  0.159  1.0
  O  O49  1  0.960  0.504  0.341  1.0
[/CIF]
.