The material described by KNiGa2P3(H2O7)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Ga(1)O5 trigonal bipyramids, and  an edgeedge with one P(1)O4 tetrahedra. Ga(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form GaO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)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 two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Ga(1)O5 trigonal bipyramids and  an edgeedge with one Ni(1)O6 octahedra. In the second P site, P(2) is bonded to one O(2), 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 Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(1) is bonded in a single-bond geometry to one O(4) atom. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Ga(1) and one P(2) atom. In the second O site, O(7) is bonded in a bent 150 degrees geometry to one Ga(1) and one P(2) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Ga(1), and one P(1) atom. In the fourth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ga(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Ni(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Ga(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted water-like geometry to one K(1), one Ni(1), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_KGa2NiP3(H2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.466
_cell_length_b   8.466
_cell_length_c   8.896
_cell_angle_alpha   76.251
_cell_angle_beta   76.251
_cell_angle_gamma   74.800
_symmetry_Int_Tables_number   1
_cell_volume   587.149
_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  0.366  0.634  0.250  1.0
  K  K1  1  0.634  0.366  0.750  1.0
  Ga  Ga2  1  0.098  0.247  0.431  1.0
  Ga  Ga3  1  0.753  0.902  0.069  1.0
  Ga  Ga4  1  0.902  0.753  0.569  1.0
  Ga  Ga5  1  0.247  0.098  0.931  1.0
  Ni  Ni6  1  0.728  0.272  0.250  1.0
  Ni  Ni7  1  0.272  0.728  0.750  1.0
  P  P8  1  0.998  0.002  0.250  1.0
  P  P9  1  0.002  0.998  0.750  1.0
  P  P10  1  0.836  0.580  0.320  1.0
  P  P11  1  0.420  0.164  0.180  1.0
  P  P12  1  0.164  0.420  0.680  1.0
  P  P13  1  0.580  0.836  0.820  1.0
  H  H14  1  0.913  0.363  0.952  1.0
  H  H15  1  0.637  0.087  0.548  1.0
  H  H16  1  0.087  0.637  0.048  1.0
  H  H17  1  0.363  0.913  0.452  1.0
  H  H18  1  0.771  0.510  0.015  1.0
  H  H19  1  0.490  0.229  0.485  1.0
  H  H20  1  0.229  0.490  0.985  1.0
  H  H21  1  0.510  0.771  0.515  1.0
  O  O22  1  0.969  0.149  0.616  1.0
  O  O23  1  0.851  0.031  0.884  1.0
  O  O24  1  0.031  0.851  0.384  1.0
  O  O25  1  0.149  0.969  0.116  1.0
  O  O26  1  0.701  0.496  0.310  1.0
  O  O27  1  0.504  0.299  0.190  1.0
  O  O28  1  0.299  0.504  0.690  1.0
  O  O29  1  0.496  0.701  0.810  1.0
  O  O30  1  0.973  0.171  0.303  1.0
  O  O31  1  0.829  0.027  0.197  1.0
  O  O32  1  0.027  0.829  0.697  1.0
  O  O33  1  0.171  0.973  0.803  1.0
  O  O34  1  0.799  0.390  0.014  1.0
  O  O35  1  0.610  0.201  0.486  1.0
  O  O36  1  0.201  0.610  0.986  1.0
  O  O37  1  0.390  0.799  0.514  1.0
  O  O38  1  0.297  0.116  0.338  1.0
  O  O39  1  0.884  0.703  0.162  1.0
  O  O40  1  0.703  0.884  0.662  1.0
  O  O41  1  0.116  0.297  0.838  1.0
  O  O42  1  0.232  0.324  0.541  1.0
  O  O43  1  0.676  0.768  0.959  1.0
  O  O44  1  0.768  0.676  0.459  1.0
  O  O45  1  0.324  0.232  0.041  1.0
  O  O46  1  0.009  0.464  0.338  1.0
  O  O47  1  0.536  0.991  0.162  1.0
  O  O48  1  0.991  0.536  0.662  1.0
  O  O49  1  0.464  0.009  0.838  1.0
[/CIF]
.
The material described by KNiGa2P3(H2O7)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent Ga(1)O5 trigonal bipyramids, and  an edgeedge with one P(1)O4 tetrahedra. Ga(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form GaO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with three equivalent P(2)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 two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Ga(1)O5 trigonal bipyramids and  an edgeedge with one Ni(1)O6 octahedra. In the second P site, P(2) is bonded to one O(2), 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 Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent H sites. In the first H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(1) is bonded in a single-bond geometry to one O(4) atom. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Ga(1) and one P(2) atom. In the second O site, O(7) is bonded in a bent 150 degrees geometry to one Ga(1) and one P(2) atom. In the third O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Ga(1), and one P(1) atom. In the fourth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ga(1) and one P(2) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Ni(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Ga(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a distorted water-like geometry to one K(1), one Ni(1), one H(1), and one H(2) atom. is represented by the CIF card [CIF]
data_KGa2NiP3(H2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.466
_cell_length_b   8.466
_cell_length_c   8.896
_cell_angle_alpha   76.251
_cell_angle_beta   76.251
_cell_angle_gamma   74.800
_symmetry_Int_Tables_number   1
_cell_volume   587.149
_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  0.366  0.634  0.250  1.0
  K  K1  1  0.634  0.366  0.750  1.0
  Ga  Ga2  1  0.098  0.247  0.431  1.0
  Ga  Ga3  1  0.753  0.902  0.069  1.0
  Ga  Ga4  1  0.902  0.753  0.569  1.0
  Ga  Ga5  1  0.247  0.098  0.931  1.0
  Ni  Ni6  1  0.728  0.272  0.250  1.0
  Ni  Ni7  1  0.272  0.728  0.750  1.0
  P  P8  1  0.998  0.002  0.250  1.0
  P  P9  1  0.002  0.998  0.750  1.0
  P  P10  1  0.836  0.580  0.320  1.0
  P  P11  1  0.420  0.164  0.180  1.0
  P  P12  1  0.164  0.420  0.680  1.0
  P  P13  1  0.580  0.836  0.820  1.0
  H  H14  1  0.913  0.363  0.952  1.0
  H  H15  1  0.637  0.087  0.548  1.0
  H  H16  1  0.087  0.637  0.048  1.0
  H  H17  1  0.363  0.913  0.452  1.0
  H  H18  1  0.771  0.510  0.015  1.0
  H  H19  1  0.490  0.229  0.485  1.0
  H  H20  1  0.229  0.490  0.985  1.0
  H  H21  1  0.510  0.771  0.515  1.0
  O  O22  1  0.969  0.149  0.616  1.0
  O  O23  1  0.851  0.031  0.884  1.0
  O  O24  1  0.031  0.851  0.384  1.0
  O  O25  1  0.149  0.969  0.116  1.0
  O  O26  1  0.701  0.496  0.310  1.0
  O  O27  1  0.504  0.299  0.190  1.0
  O  O28  1  0.299  0.504  0.690  1.0
  O  O29  1  0.496  0.701  0.810  1.0
  O  O30  1  0.973  0.171  0.303  1.0
  O  O31  1  0.829  0.027  0.197  1.0
  O  O32  1  0.027  0.829  0.697  1.0
  O  O33  1  0.171  0.973  0.803  1.0
  O  O34  1  0.799  0.390  0.014  1.0
  O  O35  1  0.610  0.201  0.486  1.0
  O  O36  1  0.201  0.610  0.986  1.0
  O  O37  1  0.390  0.799  0.514  1.0
  O  O38  1  0.297  0.116  0.338  1.0
  O  O39  1  0.884  0.703  0.162  1.0
  O  O40  1  0.703  0.884  0.662  1.0
  O  O41  1  0.116  0.297  0.838  1.0
  O  O42  1  0.232  0.324  0.541  1.0
  O  O43  1  0.676  0.768  0.959  1.0
  O  O44  1  0.768  0.676  0.459  1.0
  O  O45  1  0.324  0.232  0.041  1.0
  O  O46  1  0.009  0.464  0.338  1.0
  O  O47  1  0.536  0.991  0.162  1.0
  O  O48  1  0.991  0.536  0.662  1.0
  O  O49  1  0.464  0.009  0.838  1.0
[/CIF]
.