The material structure described by Na4ZnP6(HO2)12 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(10), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form distorted NaO6 pentagonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Na(2)O5 trigonal bipyramids,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Na(2)O5 trigonal bipyramid. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(3), one O(7), and one O(8) atom to form distorted NaO5 trigonal bipyramids that share corners with two equivalent Na(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Na(1)O6 pentagonal pyramid. Zn(1) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Na(1)O6 pentagonal pyramids. There are three 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  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Na(1)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Na(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the second P site, P(2) 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 Zn(1)O6 octahedra,  a cornercorner with one Na(1)O6 pentagonal pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Na(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the third P site, P(3) is bonded to one O(2), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 pentagonal pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Na(2)O5 trigonal bipyramid. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) and one O(9) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(11) and one O(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(2), one P(2), and one H(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one P(3) and one H(2) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Na(1), one Na(2), one H(1), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Zn(1), one H(3), and one H(4) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Na(1), one Na(2), one H(5), and one H(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4ZnP6(HO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.356
_cell_length_b   9.312
_cell_length_c   9.548
_cell_angle_alpha   65.601
_cell_angle_beta   74.881
_cell_angle_gamma   71.923
_symmetry_Int_Tables_number   1
_cell_volume   559.536
_cell_formula_units_Z   1
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
  Na  Na0  1  0.138  0.671  0.088  1.0
  Na  Na1  1  0.862  0.329  0.912  1.0
  Na  Na2  1  0.366  0.283  0.964  1.0
  Na  Na3  1  0.634  0.717  0.036  1.0
  Zn  Zn4  1  0.000  0.500  0.500  1.0
  P  P5  1  0.146  0.631  0.710  1.0
  P  P6  1  0.854  0.369  0.290  1.0
  P  P7  1  0.306  0.744  0.372  1.0
  P  P8  1  0.694  0.256  0.628  1.0
  P  P9  1  0.042  0.070  0.236  1.0
  P  P10  1  0.958  0.930  0.764  1.0
  H  H11  1  0.729  0.034  0.011  1.0
  H  H12  1  0.271  0.966  0.989  1.0
  H  H13  1  0.707  0.089  0.148  1.0
  H  H14  1  0.293  0.911  0.852  1.0
  H  H15  1  0.674  0.709  0.396  1.0
  H  H16  1  0.326  0.291  0.604  1.0
  H  H17  1  0.683  0.749  0.539  1.0
  H  H18  1  0.317  0.251  0.461  1.0
  H  H19  1  0.683  0.637  0.753  1.0
  H  H20  1  0.317  0.363  0.247  1.0
  H  H21  1  0.524  0.397  0.165  1.0
  H  H22  1  0.476  0.603  0.835  1.0
  O  O23  1  0.305  0.685  0.558  1.0
  O  O24  1  0.695  0.315  0.442  1.0
  O  O25  1  0.975  0.792  0.692  1.0
  O  O26  1  0.025  0.208  0.308  1.0
  O  O27  1  0.241  0.581  0.849  1.0
  O  O28  1  0.759  0.419  0.151  1.0
  O  O29  1  0.055  0.509  0.702  1.0
  O  O30  1  0.945  0.491  0.298  1.0
  O  O31  1  0.211  0.936  0.332  1.0
  O  O32  1  0.789  0.064  0.668  1.0
  O  O33  1  0.180  0.664  0.340  1.0
  O  O34  1  0.820  0.336  0.660  1.0
  O  O35  1  0.513  0.725  0.298  1.0
  O  O36  1  0.487  0.275  0.702  1.0
  O  O37  1  0.126  0.135  0.066  1.0
  O  O38  1  0.874  0.865  0.934  1.0
  O  O39  1  0.143  0.984  0.717  1.0
  O  O40  1  0.857  0.016  0.283  1.0
  O  O41  1  0.342  0.877  0.952  1.0
  O  O42  1  0.658  0.123  0.048  1.0
  O  O43  1  0.759  0.691  0.471  1.0
  O  O44  1  0.241  0.309  0.529  1.0
  O  O45  1  0.394  0.404  0.146  1.0
  O  O46  1  0.606  0.596  0.854  1.0
[/CIF]
.
The material structure described by Na4ZnP6(HO2)12 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(10), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form distorted NaO6 pentagonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent Na(2)O5 trigonal bipyramids,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Na(2)O5 trigonal bipyramid. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(3), one O(7), and one O(8) atom to form distorted NaO5 trigonal bipyramids that share corners with two equivalent Na(1)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  an edgeedge with one Na(1)O6 pentagonal pyramid. Zn(1) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Na(1)O6 pentagonal pyramids. There are three 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  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Na(1)O6 pentagonal pyramids,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Na(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 53°. In the second P site, P(2) 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 Zn(1)O6 octahedra,  a cornercorner with one Na(1)O6 pentagonal pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one Na(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 50°. In the third P site, P(3) is bonded to one O(2), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 pentagonal pyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one Na(2)O5 trigonal bipyramid. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) and one O(9) atom. In the third H site, H(3) is bonded in a distorted linear geometry to one O(11) and one O(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(1), one Na(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Zn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Zn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Na(2), one P(2), and one H(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one P(3) and one H(2) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Na(1), one Na(2), one H(1), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted water-like geometry to one Zn(1), one H(3), and one H(4) atom. In the twelfth O site, O(12) is bonded in a distorted water-like geometry to one Na(1), one Na(2), one H(5), and one H(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na4ZnP6(HO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.356
_cell_length_b   9.312
_cell_length_c   9.548
_cell_angle_alpha   65.601
_cell_angle_beta   74.881
_cell_angle_gamma   71.923
_symmetry_Int_Tables_number   1
_cell_volume   559.536
_cell_formula_units_Z   1
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
  Na  Na0  1  0.138  0.671  0.088  1.0
  Na  Na1  1  0.862  0.329  0.912  1.0
  Na  Na2  1  0.366  0.283  0.964  1.0
  Na  Na3  1  0.634  0.717  0.036  1.0
  Zn  Zn4  1  0.000  0.500  0.500  1.0
  P  P5  1  0.146  0.631  0.710  1.0
  P  P6  1  0.854  0.369  0.290  1.0
  P  P7  1  0.306  0.744  0.372  1.0
  P  P8  1  0.694  0.256  0.628  1.0
  P  P9  1  0.042  0.070  0.236  1.0
  P  P10  1  0.958  0.930  0.764  1.0
  H  H11  1  0.729  0.034  0.011  1.0
  H  H12  1  0.271  0.966  0.989  1.0
  H  H13  1  0.707  0.089  0.148  1.0
  H  H14  1  0.293  0.911  0.852  1.0
  H  H15  1  0.674  0.709  0.396  1.0
  H  H16  1  0.326  0.291  0.604  1.0
  H  H17  1  0.683  0.749  0.539  1.0
  H  H18  1  0.317  0.251  0.461  1.0
  H  H19  1  0.683  0.637  0.753  1.0
  H  H20  1  0.317  0.363  0.247  1.0
  H  H21  1  0.524  0.397  0.165  1.0
  H  H22  1  0.476  0.603  0.835  1.0
  O  O23  1  0.305  0.685  0.558  1.0
  O  O24  1  0.695  0.315  0.442  1.0
  O  O25  1  0.975  0.792  0.692  1.0
  O  O26  1  0.025  0.208  0.308  1.0
  O  O27  1  0.241  0.581  0.849  1.0
  O  O28  1  0.759  0.419  0.151  1.0
  O  O29  1  0.055  0.509  0.702  1.0
  O  O30  1  0.945  0.491  0.298  1.0
  O  O31  1  0.211  0.936  0.332  1.0
  O  O32  1  0.789  0.064  0.668  1.0
  O  O33  1  0.180  0.664  0.340  1.0
  O  O34  1  0.820  0.336  0.660  1.0
  O  O35  1  0.513  0.725  0.298  1.0
  O  O36  1  0.487  0.275  0.702  1.0
  O  O37  1  0.126  0.135  0.066  1.0
  O  O38  1  0.874  0.865  0.934  1.0
  O  O39  1  0.143  0.984  0.717  1.0
  O  O40  1  0.857  0.016  0.283  1.0
  O  O41  1  0.342  0.877  0.952  1.0
  O  O42  1  0.658  0.123  0.048  1.0
  O  O43  1  0.759  0.691  0.471  1.0
  O  O44  1  0.241  0.309  0.529  1.0
  O  O45  1  0.394  0.404  0.146  1.0
  O  O46  1  0.606  0.596  0.854  1.0
[/CIF]
.