The compound described by K3NaP4(H2O7)2 crystallizes in the monoclinic Cc space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(14), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one H(4), one O(10), one O(11), one O(12), one O(13), one O(14), one O(3), one O(4), and one O(9) atom. Na(1) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form NaO6 octahedra that share  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 corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(13), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(4) and one O(7) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(3) and one O(8) atom. In the third H site, H(3) is bonded in a linear geometry to one O(13) and one O(14) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one K(3), one O(11), and one O(12) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one P(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(2), one P(2), and one P(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one K(3), one P(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one K(2), one K(3), one P(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Na(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Na(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(2), one Na(1), one P(1), and one H(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one K(1), one Na(1), one P(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one K(1), one K(3), one Na(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one K(2), one K(3), one Na(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one K(3), one P(3), and one H(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one K(1), one K(3), one P(4), and one H(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(3), one P(3), and one H(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one P(4), and one H(3) atom. is represented by the CIF card [CIF]
data_K3NaP4(H2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.321
_cell_length_b   9.321
_cell_length_c   11.170
_cell_angle_alpha   80.606
_cell_angle_beta   80.606
_cell_angle_gamma   46.131
_symmetry_Int_Tables_number   1
_cell_volume   688.575
_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  0.193  0.528  0.971  1.0
  K  K1  1  0.472  0.807  0.528  1.0
  K  K2  1  0.807  0.472  0.028  1.0
  K  K3  1  0.528  0.193  0.471  1.0
  K  K4  1  0.801  0.201  0.751  1.0
  K  K5  1  0.201  0.801  0.251  1.0
  Na  Na6  1  0.498  1.000  0.000  1.0
  Na  Na7  1  1.000  0.498  0.500  1.0
  P  P8  1  0.784  0.826  0.256  1.0
  P  P9  1  0.174  0.216  0.245  1.0
  P  P10  1  0.216  0.174  0.745  1.0
  P  P11  1  0.826  0.784  0.756  1.0
  P  P12  1  0.676  0.186  0.106  1.0
  P  P13  1  0.806  0.331  0.392  1.0
  P  P14  1  0.331  0.806  0.892  1.0
  P  P15  1  0.186  0.676  0.606  1.0
  H  H16  1  0.524  0.875  0.234  1.0
  H  H17  1  0.127  0.474  0.266  1.0
  H  H18  1  0.474  0.127  0.766  1.0
  H  H19  1  0.875  0.524  0.734  1.0
  H  H20  1  0.017  0.988  0.992  1.0
  H  H21  1  0.988  0.017  0.492  1.0
  H  H22  1  0.576  0.410  0.233  1.0
  H  H23  1  0.410  0.576  0.733  1.0
  O  O24  1  0.679  0.057  0.227  1.0
  O  O25  1  0.945  0.318  0.274  1.0
  O  O26  1  0.318  0.945  0.774  1.0
  O  O27  1  0.057  0.679  0.727  1.0
  O  O28  1  0.997  0.690  0.200  1.0
  O  O29  1  0.312  0.002  0.300  1.0
  O  O30  1  0.002  0.312  0.800  1.0
  O  O31  1  0.690  0.997  0.700  1.0
  O  O32  1  0.749  0.807  0.391  1.0
  O  O33  1  0.193  0.252  0.109  1.0
  O  O34  1  0.252  0.193  0.609  1.0
  O  O35  1  0.807  0.749  0.891  1.0
  O  O36  1  0.660  0.809  0.187  1.0
  O  O37  1  0.192  0.340  0.314  1.0
  O  O38  1  0.340  0.192  0.814  1.0
  O  O39  1  0.809  0.660  0.687  1.0
  O  O40  1  0.592  0.186  0.003  1.0
  O  O41  1  0.816  0.405  0.498  1.0
  O  O42  1  0.405  0.816  0.998  1.0
  O  O43  1  0.186  0.592  0.503  1.0
  O  O44  1  0.529  0.400  0.157  1.0
  O  O45  1  0.605  0.458  0.340  1.0
  O  O46  1  0.458  0.605  0.840  1.0
  O  O47  1  0.400  0.529  0.657  1.0
  O  O48  1  0.884  0.110  0.085  1.0
  O  O49  1  0.893  0.112  0.418  1.0
  O  O50  1  0.112  0.893  0.918  1.0
  O  O51  1  0.110  0.884  0.585  1.0
[/CIF]
.
The compound described by K3NaP4(H2O7)2 crystallizes in the monoclinic Cc space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(14), one O(3), one O(5), one O(6), one O(8), and one O(9) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(10), one O(13), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. In the third K site, K(3) is bonded in a 9-coordinate geometry to one H(4), one O(10), one O(11), one O(12), one O(13), one O(14), one O(3), one O(4), and one O(9) atom. Na(1) is bonded to one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form NaO6 octahedra that share  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 corners with two equivalent P(2)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-61°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(13), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(14), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(4) and one O(7) atom. In the second H site, H(2) is bonded in a distorted linear geometry to one O(3) and one O(8) atom. In the third H site, H(3) is bonded in a linear geometry to one O(13) and one O(14) atom. In the fourth H site, H(4) is bonded in a distorted linear geometry to one K(3), one O(11), and one O(12) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one P(1), and one P(3) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(2), one P(2), and one P(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one K(1), one K(3), one P(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one K(2), one K(3), one P(2), and one H(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Na(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Na(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(2), one Na(1), one P(1), and one H(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one K(1), one Na(1), one P(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to one K(1), one K(3), one Na(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one K(2), one K(3), one Na(1), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one K(3), one P(3), and one H(4) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one K(1), one K(3), one P(4), and one H(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 120 degrees geometry to one K(2), one K(3), one P(3), and one H(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one K(1), one K(3), one P(4), and one H(3) atom. is represented by the CIF card [CIF]
data_K3NaP4(H2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.321
_cell_length_b   9.321
_cell_length_c   11.170
_cell_angle_alpha   80.606
_cell_angle_beta   80.606
_cell_angle_gamma   46.131
_symmetry_Int_Tables_number   1
_cell_volume   688.575
_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  0.193  0.528  0.971  1.0
  K  K1  1  0.472  0.807  0.528  1.0
  K  K2  1  0.807  0.472  0.028  1.0
  K  K3  1  0.528  0.193  0.471  1.0
  K  K4  1  0.801  0.201  0.751  1.0
  K  K5  1  0.201  0.801  0.251  1.0
  Na  Na6  1  0.498  1.000  0.000  1.0
  Na  Na7  1  1.000  0.498  0.500  1.0
  P  P8  1  0.784  0.826  0.256  1.0
  P  P9  1  0.174  0.216  0.245  1.0
  P  P10  1  0.216  0.174  0.745  1.0
  P  P11  1  0.826  0.784  0.756  1.0
  P  P12  1  0.676  0.186  0.106  1.0
  P  P13  1  0.806  0.331  0.392  1.0
  P  P14  1  0.331  0.806  0.892  1.0
  P  P15  1  0.186  0.676  0.606  1.0
  H  H16  1  0.524  0.875  0.234  1.0
  H  H17  1  0.127  0.474  0.266  1.0
  H  H18  1  0.474  0.127  0.766  1.0
  H  H19  1  0.875  0.524  0.734  1.0
  H  H20  1  0.017  0.988  0.992  1.0
  H  H21  1  0.988  0.017  0.492  1.0
  H  H22  1  0.576  0.410  0.233  1.0
  H  H23  1  0.410  0.576  0.733  1.0
  O  O24  1  0.679  0.057  0.227  1.0
  O  O25  1  0.945  0.318  0.274  1.0
  O  O26  1  0.318  0.945  0.774  1.0
  O  O27  1  0.057  0.679  0.727  1.0
  O  O28  1  0.997  0.690  0.200  1.0
  O  O29  1  0.312  0.002  0.300  1.0
  O  O30  1  0.002  0.312  0.800  1.0
  O  O31  1  0.690  0.997  0.700  1.0
  O  O32  1  0.749  0.807  0.391  1.0
  O  O33  1  0.193  0.252  0.109  1.0
  O  O34  1  0.252  0.193  0.609  1.0
  O  O35  1  0.807  0.749  0.891  1.0
  O  O36  1  0.660  0.809  0.187  1.0
  O  O37  1  0.192  0.340  0.314  1.0
  O  O38  1  0.340  0.192  0.814  1.0
  O  O39  1  0.809  0.660  0.687  1.0
  O  O40  1  0.592  0.186  0.003  1.0
  O  O41  1  0.816  0.405  0.498  1.0
  O  O42  1  0.405  0.816  0.998  1.0
  O  O43  1  0.186  0.592  0.503  1.0
  O  O44  1  0.529  0.400  0.157  1.0
  O  O45  1  0.605  0.458  0.340  1.0
  O  O46  1  0.458  0.605  0.840  1.0
  O  O47  1  0.400  0.529  0.657  1.0
  O  O48  1  0.884  0.110  0.085  1.0
  O  O49  1  0.893  0.112  0.418  1.0
  O  O50  1  0.112  0.893  0.918  1.0
  O  O51  1  0.110  0.884  0.585  1.0
[/CIF]
.