The crystal structure described by KNaP2H2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(2), one O(4), one O(6), and two equivalent O(9) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(3), one O(5), one O(7), and two equivalent O(12) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(11), one O(13), one O(8), one O(9), and two equivalent O(6) atoms to form NaO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Na(1)O6 octahedra. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(14), one O(5), and two equivalent O(7) atoms to form NaO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Na(2)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(13) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(14) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(14) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(3), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one K(2), one Na(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), two equivalent Na(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), two equivalent Na(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to two equivalent K(1), one Na(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one K(1), one Na(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Na(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to two equivalent K(2), one Na(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one K(1), one Na(1), one H(1), and one H(2) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one K(2), one Na(2), one H(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNaP2H2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.017
_cell_length_b   8.039
_cell_length_c   11.480
_cell_angle_alpha   106.487
_cell_angle_beta   95.304
_cell_angle_gamma   90.066
_symmetry_Int_Tables_number   1
_cell_volume   706.127
_cell_formula_units_Z   4
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  0.223  0.647  0.436  1.0
  K  K1  1  0.777  0.353  0.564  1.0
  K  K2  1  0.339  0.765  0.063  1.0
  K  K3  1  0.661  0.235  0.937  1.0
  Na  Na4  1  0.668  0.851  0.420  1.0
  Na  Na5  1  0.332  0.149  0.580  1.0
  Na  Na6  1  0.124  0.210  0.077  1.0
  Na  Na7  1  0.876  0.790  0.923  1.0
  P  P8  1  0.449  0.159  0.293  1.0
  P  P9  1  0.551  0.841  0.707  1.0
  P  P10  1  0.784  0.069  0.211  1.0
  P  P11  1  0.216  0.931  0.789  1.0
  P  P12  1  0.852  0.447  0.286  1.0
  P  P13  1  0.148  0.553  0.714  1.0
  P  P14  1  0.492  0.471  0.209  1.0
  P  P15  1  0.508  0.529  0.791  1.0
  H  H16  1  0.191  0.004  0.346  1.0
  H  H17  1  0.809  0.996  0.654  1.0
  H  H18  1  0.024  0.968  0.390  1.0
  H  H19  1  0.976  0.032  0.610  1.0
  H  H20  1  0.010  0.593  0.119  1.0
  H  H21  1  0.990  0.407  0.881  1.0
  H  H22  1  0.958  0.783  0.158  1.0
  H  H23  1  0.042  0.217  0.842  1.0
  O  O24  1  0.579  0.078  0.191  1.0
  O  O25  1  0.421  0.922  0.809  1.0
  O  O26  1  0.834  0.256  0.310  1.0
  O  O27  1  0.166  0.744  0.690  1.0
  O  O28  1  0.690  0.443  0.188  1.0
  O  O29  1  0.310  0.557  0.812  1.0
  O  O30  1  0.467  0.368  0.311  1.0
  O  O31  1  0.533  0.632  0.689  1.0
  O  O32  1  0.278  0.092  0.232  1.0
  O  O33  1  0.722  0.908  0.768  1.0
  O  O34  1  0.509  0.132  0.414  1.0
  O  O35  1  0.491  0.868  0.586  1.0
  O  O36  1  0.845  0.058  0.089  1.0
  O  O37  1  0.155  0.942  0.911  1.0
  O  O38  1  0.829  0.933  0.274  1.0
  O  O39  1  0.171  0.067  0.726  1.0
  O  O40  1  0.834  0.578  0.406  1.0
  O  O41  1  0.166  0.422  0.594  1.0
  O  O42  1  0.006  0.450  0.221  1.0
  O  O43  1  0.994  0.550  0.779  1.0
  O  O44  1  0.465  0.659  0.271  1.0
  O  O45  1  0.535  0.341  0.729  1.0
  O  O46  1  0.396  0.381  0.090  1.0
  O  O47  1  0.604  0.619  0.910  1.0
  O  O48  1  0.145  0.971  0.414  1.0
  O  O49  1  0.855  0.029  0.586  1.0
  O  O50  1  0.012  0.700  0.093  1.0
  O  O51  1  0.988  0.300  0.907  1.0
[/CIF]
.
The crystal structure described by KNaP2H2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(2), one O(4), one O(6), and two equivalent O(9) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(3), one O(5), one O(7), and two equivalent O(12) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(11), one O(13), one O(8), one O(9), and two equivalent O(6) atoms to form NaO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Na(1)O6 octahedra. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(14), one O(5), and two equivalent O(7) atoms to form NaO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Na(2)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(13) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(14) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(14) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(3), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one K(2), one Na(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), two equivalent Na(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), two equivalent Na(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to two equivalent K(1), one Na(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one K(1), one Na(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Na(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to two equivalent K(2), one Na(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one K(1), one Na(1), one H(1), and one H(2) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one K(2), one Na(2), one H(3), and one H(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNaP2H2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.017
_cell_length_b   8.039
_cell_length_c   11.480
_cell_angle_alpha   106.487
_cell_angle_beta   95.304
_cell_angle_gamma   90.066
_symmetry_Int_Tables_number   1
_cell_volume   706.127
_cell_formula_units_Z   4
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  0.223  0.647  0.436  1.0
  K  K1  1  0.777  0.353  0.564  1.0
  K  K2  1  0.339  0.765  0.063  1.0
  K  K3  1  0.661  0.235  0.937  1.0
  Na  Na4  1  0.668  0.851  0.420  1.0
  Na  Na5  1  0.332  0.149  0.580  1.0
  Na  Na6  1  0.124  0.210  0.077  1.0
  Na  Na7  1  0.876  0.790  0.923  1.0
  P  P8  1  0.449  0.159  0.293  1.0
  P  P9  1  0.551  0.841  0.707  1.0
  P  P10  1  0.784  0.069  0.211  1.0
  P  P11  1  0.216  0.931  0.789  1.0
  P  P12  1  0.852  0.447  0.286  1.0
  P  P13  1  0.148  0.553  0.714  1.0
  P  P14  1  0.492  0.471  0.209  1.0
  P  P15  1  0.508  0.529  0.791  1.0
  H  H16  1  0.191  0.004  0.346  1.0
  H  H17  1  0.809  0.996  0.654  1.0
  H  H18  1  0.024  0.968  0.390  1.0
  H  H19  1  0.976  0.032  0.610  1.0
  H  H20  1  0.010  0.593  0.119  1.0
  H  H21  1  0.990  0.407  0.881  1.0
  H  H22  1  0.958  0.783  0.158  1.0
  H  H23  1  0.042  0.217  0.842  1.0
  O  O24  1  0.579  0.078  0.191  1.0
  O  O25  1  0.421  0.922  0.809  1.0
  O  O26  1  0.834  0.256  0.310  1.0
  O  O27  1  0.166  0.744  0.690  1.0
  O  O28  1  0.690  0.443  0.188  1.0
  O  O29  1  0.310  0.557  0.812  1.0
  O  O30  1  0.467  0.368  0.311  1.0
  O  O31  1  0.533  0.632  0.689  1.0
  O  O32  1  0.278  0.092  0.232  1.0
  O  O33  1  0.722  0.908  0.768  1.0
  O  O34  1  0.509  0.132  0.414  1.0
  O  O35  1  0.491  0.868  0.586  1.0
  O  O36  1  0.845  0.058  0.089  1.0
  O  O37  1  0.155  0.942  0.911  1.0
  O  O38  1  0.829  0.933  0.274  1.0
  O  O39  1  0.171  0.067  0.726  1.0
  O  O40  1  0.834  0.578  0.406  1.0
  O  O41  1  0.166  0.422  0.594  1.0
  O  O42  1  0.006  0.450  0.221  1.0
  O  O43  1  0.994  0.550  0.779  1.0
  O  O44  1  0.465  0.659  0.271  1.0
  O  O45  1  0.535  0.341  0.729  1.0
  O  O46  1  0.396  0.381  0.090  1.0
  O  O47  1  0.604  0.619  0.910  1.0
  O  O48  1  0.145  0.971  0.414  1.0
  O  O49  1  0.855  0.029  0.586  1.0
  O  O50  1  0.012  0.700  0.093  1.0
  O  O51  1  0.988  0.300  0.907  1.0
[/CIF]
.