The structure described by HNaZnP2O7 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one H(1), one O(1), one O(2), one O(4), one O(7), and two equivalent O(3) atoms. Zn(1) is bonded to one O(1), one O(4), one O(5), one O(7), and two equivalent O(2) atoms to form distorted ZnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Zn(1)O6 octahedra. 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(6) atom to form PO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-59°. 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 corners with three equivalent Zn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-51°. H(1) is bonded in a linear geometry to one Na(1), one O(3), and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Na(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Zn(1), and one P(2) atom. is represented by the CIF file [CIF]
data_NaZnP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.563
_cell_length_b   6.618
_cell_length_c   6.830
_cell_angle_alpha   95.809
_cell_angle_beta   113.479
_cell_angle_gamma   88.519
_symmetry_Int_Tables_number   1
_cell_volume   270.690
_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
  Na  Na0  1  0.784  0.646  0.758  1.0
  Na  Na1  1  0.216  0.354  0.242  1.0
  Zn  Zn2  1  0.217  0.851  0.627  1.0
  Zn  Zn3  1  0.783  0.149  0.373  1.0
  P  P4  1  0.758  0.642  0.283  1.0
  P  P5  1  0.242  0.358  0.717  1.0
  P  P6  1  0.333  0.876  0.136  1.0
  P  P7  1  0.667  0.124  0.864  1.0
  H  H8  1  0.066  0.709  0.201  1.0
  H  H9  1  0.934  0.291  0.799  1.0
  O  O10  1  0.276  0.536  0.608  1.0
  O  O11  1  0.724  0.464  0.392  1.0
  O  O12  1  0.866  0.828  0.448  1.0
  O  O13  1  0.134  0.172  0.552  1.0
  O  O14  1  0.881  0.592  0.134  1.0
  O  O15  1  0.119  0.408  0.866  1.0
  O  O16  1  0.452  0.075  0.248  1.0
  O  O17  1  0.548  0.925  0.752  1.0
  O  O18  1  0.774  0.210  0.720  1.0
  O  O19  1  0.226  0.790  0.280  1.0
  O  O20  1  0.485  0.289  0.875  1.0
  O  O21  1  0.515  0.711  0.125  1.0
  O  O22  1  0.836  0.122  0.092  1.0
  O  O23  1  0.164  0.878  0.908  1.0
[/CIF]
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The structure described by HNaZnP2O7 crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one H(1), one O(1), one O(2), one O(4), one O(7), and two equivalent O(3) atoms. Zn(1) is bonded to one O(1), one O(4), one O(5), one O(7), and two equivalent O(2) atoms to form distorted ZnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Zn(1)O6 octahedra. 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(6) atom to form PO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-59°. 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 corners with three equivalent Zn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-51°. H(1) is bonded in a linear geometry to one Na(1), one O(3), and one O(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Na(1), one P(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Na(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Zn(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Na(1), one Zn(1), and one P(2) atom. is represented by the CIF file [CIF]
data_NaZnP2HO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.563
_cell_length_b   6.618
_cell_length_c   6.830
_cell_angle_alpha   95.809
_cell_angle_beta   113.479
_cell_angle_gamma   88.519
_symmetry_Int_Tables_number   1
_cell_volume   270.690
_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
  Na  Na0  1  0.784  0.646  0.758  1.0
  Na  Na1  1  0.216  0.354  0.242  1.0
  Zn  Zn2  1  0.217  0.851  0.627  1.0
  Zn  Zn3  1  0.783  0.149  0.373  1.0
  P  P4  1  0.758  0.642  0.283  1.0
  P  P5  1  0.242  0.358  0.717  1.0
  P  P6  1  0.333  0.876  0.136  1.0
  P  P7  1  0.667  0.124  0.864  1.0
  H  H8  1  0.066  0.709  0.201  1.0
  H  H9  1  0.934  0.291  0.799  1.0
  O  O10  1  0.276  0.536  0.608  1.0
  O  O11  1  0.724  0.464  0.392  1.0
  O  O12  1  0.866  0.828  0.448  1.0
  O  O13  1  0.134  0.172  0.552  1.0
  O  O14  1  0.881  0.592  0.134  1.0
  O  O15  1  0.119  0.408  0.866  1.0
  O  O16  1  0.452  0.075  0.248  1.0
  O  O17  1  0.548  0.925  0.752  1.0
  O  O18  1  0.774  0.210  0.720  1.0
  O  O19  1  0.226  0.790  0.280  1.0
  O  O20  1  0.485  0.289  0.875  1.0
  O  O21  1  0.515  0.711  0.125  1.0
  O  O22  1  0.836  0.122  0.092  1.0
  O  O23  1  0.164  0.878  0.908  1.0
[/CIF]
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