The structure described by K3NaP4(H2O7)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(3), one O(7), and two equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form NaO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) 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 57°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 2-coordinate geometry to one K(2), one Na(1), and one P(2) atom. In the second O site, O(6) is bonded in a distorted water-like geometry to one P(2) and one H(2) atom. In the third O site, O(7) is bonded in a distorted trigonal planar geometry to one K(1), one K(2), and one P(2) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Na(1), and one P(1) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one P(1), and one H(1) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one K(2), one P(1), and one H(1) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_K3NaP4(H2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.434
_cell_length_b   9.434
_cell_length_c   11.354
_cell_angle_alpha   80.914
_cell_angle_beta   80.914
_cell_angle_gamma   45.903
_symmetry_Int_Tables_number   1
_cell_volume   714.991
_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  0.448  0.832  0.512  1.0
  K  K1  1  0.168  0.552  0.988  1.0
  K  K2  1  0.552  0.168  0.488  1.0
  K  K3  1  0.832  0.448  0.012  1.0
  K  K4  1  0.862  0.138  0.750  1.0
  K  K5  1  0.138  0.862  0.250  1.0
  Na  Na6  1  0.000  0.500  0.500  1.0
  Na  Na7  1  0.500  0.000  0.000  1.0
  P  P8  1  0.175  0.220  0.244  1.0
  P  P9  1  0.780  0.825  0.256  1.0
  P  P10  1  0.825  0.780  0.756  1.0
  P  P11  1  0.220  0.175  0.744  1.0
  P  P12  1  0.818  0.322  0.397  1.0
  P  P13  1  0.678  0.182  0.103  1.0
  P  P14  1  0.182  0.678  0.603  1.0
  P  P15  1  0.322  0.818  0.897  1.0
  H  H16  1  0.123  0.477  0.268  1.0
  H  H17  1  0.523  0.877  0.232  1.0
  H  H18  1  0.877  0.523  0.732  1.0
  H  H19  1  0.477  0.123  0.768  1.0
  H  H20  1  0.610  0.512  0.259  1.0
  H  H21  1  0.488  0.390  0.241  1.0
  H  H22  1  0.390  0.488  0.741  1.0
  H  H23  1  0.512  0.610  0.759  1.0
  O  O24  1  0.186  0.260  0.111  1.0
  O  O25  1  0.740  0.814  0.389  1.0
  O  O26  1  0.814  0.740  0.889  1.0
  O  O27  1  0.260  0.186  0.611  1.0
  O  O28  1  0.197  0.339  0.313  1.0
  O  O29  1  0.661  0.803  0.187  1.0
  O  O30  1  0.803  0.661  0.687  1.0
  O  O31  1  0.339  0.197  0.813  1.0
  O  O32  1  0.315  0.006  0.294  1.0
  O  O33  1  0.994  0.685  0.206  1.0
  O  O34  1  0.685  0.994  0.706  1.0
  O  O35  1  0.006  0.315  0.794  1.0
  O  O36  1  0.950  0.318  0.280  1.0
  O  O37  1  0.682  0.050  0.220  1.0
  O  O38  1  0.050  0.682  0.720  1.0
  O  O39  1  0.318  0.950  0.780  1.0
  O  O40  1  0.827  0.390  0.504  1.0
  O  O41  1  0.610  0.173  0.996  1.0
  O  O42  1  0.173  0.610  0.496  1.0
  O  O43  1  0.390  0.827  0.004  1.0
  O  O44  1  0.598  0.511  0.345  1.0
  O  O45  1  0.489  0.402  0.155  1.0
  O  O46  1  0.402  0.489  0.655  1.0
  O  O47  1  0.511  0.598  0.845  1.0
  O  O48  1  0.855  0.139  0.403  1.0
  O  O49  1  0.861  0.145  0.097  1.0
  O  O50  1  0.145  0.861  0.597  1.0
  O  O51  1  0.139  0.855  0.903  1.0
[/CIF]
.
The structure described by K3NaP4(H2O7)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(3), one O(7), and two equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form NaO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) 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 57°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(2) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(6) atom. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a 2-coordinate geometry to one K(2), one Na(1), and one P(2) atom. In the second O site, O(6) is bonded in a distorted water-like geometry to one P(2) and one H(2) atom. In the third O site, O(7) is bonded in a distorted trigonal planar geometry to one K(1), one K(2), and one P(2) atom. In the fourth O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Na(1), and one P(1) atom. In the fifth O site, O(2) is bonded in a 2-coordinate geometry to one Na(1), one P(1), and one H(1) atom. In the sixth O site, O(3) is bonded in a 2-coordinate geometry to one K(1), one K(2), one P(1), and one H(1) atom. In the seventh O site, O(4) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_K3NaP4(H2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.434
_cell_length_b   9.434
_cell_length_c   11.354
_cell_angle_alpha   80.914
_cell_angle_beta   80.914
_cell_angle_gamma   45.903
_symmetry_Int_Tables_number   1
_cell_volume   714.991
_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  0.448  0.832  0.512  1.0
  K  K1  1  0.168  0.552  0.988  1.0
  K  K2  1  0.552  0.168  0.488  1.0
  K  K3  1  0.832  0.448  0.012  1.0
  K  K4  1  0.862  0.138  0.750  1.0
  K  K5  1  0.138  0.862  0.250  1.0
  Na  Na6  1  0.000  0.500  0.500  1.0
  Na  Na7  1  0.500  0.000  0.000  1.0
  P  P8  1  0.175  0.220  0.244  1.0
  P  P9  1  0.780  0.825  0.256  1.0
  P  P10  1  0.825  0.780  0.756  1.0
  P  P11  1  0.220  0.175  0.744  1.0
  P  P12  1  0.818  0.322  0.397  1.0
  P  P13  1  0.678  0.182  0.103  1.0
  P  P14  1  0.182  0.678  0.603  1.0
  P  P15  1  0.322  0.818  0.897  1.0
  H  H16  1  0.123  0.477  0.268  1.0
  H  H17  1  0.523  0.877  0.232  1.0
  H  H18  1  0.877  0.523  0.732  1.0
  H  H19  1  0.477  0.123  0.768  1.0
  H  H20  1  0.610  0.512  0.259  1.0
  H  H21  1  0.488  0.390  0.241  1.0
  H  H22  1  0.390  0.488  0.741  1.0
  H  H23  1  0.512  0.610  0.759  1.0
  O  O24  1  0.186  0.260  0.111  1.0
  O  O25  1  0.740  0.814  0.389  1.0
  O  O26  1  0.814  0.740  0.889  1.0
  O  O27  1  0.260  0.186  0.611  1.0
  O  O28  1  0.197  0.339  0.313  1.0
  O  O29  1  0.661  0.803  0.187  1.0
  O  O30  1  0.803  0.661  0.687  1.0
  O  O31  1  0.339  0.197  0.813  1.0
  O  O32  1  0.315  0.006  0.294  1.0
  O  O33  1  0.994  0.685  0.206  1.0
  O  O34  1  0.685  0.994  0.706  1.0
  O  O35  1  0.006  0.315  0.794  1.0
  O  O36  1  0.950  0.318  0.280  1.0
  O  O37  1  0.682  0.050  0.220  1.0
  O  O38  1  0.050  0.682  0.720  1.0
  O  O39  1  0.318  0.950  0.780  1.0
  O  O40  1  0.827  0.390  0.504  1.0
  O  O41  1  0.610  0.173  0.996  1.0
  O  O42  1  0.173  0.610  0.496  1.0
  O  O43  1  0.390  0.827  0.004  1.0
  O  O44  1  0.598  0.511  0.345  1.0
  O  O45  1  0.489  0.402  0.155  1.0
  O  O46  1  0.402  0.489  0.655  1.0
  O  O47  1  0.511  0.598  0.845  1.0
  O  O48  1  0.855  0.139  0.403  1.0
  O  O49  1  0.861  0.145  0.097  1.0
  O  O50  1  0.145  0.861  0.597  1.0
  O  O51  1  0.139  0.855  0.903  1.0
[/CIF]
.