The material described by Na3Zn3P3O16 crystallizes in the trigonal R3c space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. Zn(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra. There are six inequivalent O sites. In the first 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 second O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Zn(1), and one P(1) atom. In the third O site, O(6) is bonded in a trigonal planar geometry to one Na(1), one Zn(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent O(2) atoms. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one O(1) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Na3Zn3P3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.050
_cell_length_b   9.050
_cell_length_c   9.050
_cell_angle_alpha   90.359
_cell_angle_beta   90.359
_cell_angle_gamma   90.359
_symmetry_Int_Tables_number   1
_cell_volume   741.206
_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  0.329  0.666  0.337  1.0
  Na  Na1  1  0.666  0.337  0.329  1.0
  Na  Na2  1  0.337  0.329  0.666  1.0
  Na  Na3  1  0.166  0.829  0.837  1.0
  Na  Na4  1  0.837  0.166  0.829  1.0
  Na  Na5  1  0.829  0.837  0.166  1.0
  Zn  Zn6  1  0.990  0.753  0.503  1.0
  Zn  Zn7  1  0.503  0.990  0.753  1.0
  Zn  Zn8  1  0.753  0.503  0.990  1.0
  Zn  Zn9  1  0.490  0.003  0.253  1.0
  Zn  Zn10  1  0.253  0.490  0.003  1.0
  Zn  Zn11  1  0.003  0.253  0.490  1.0
  P  P12  1  0.498  0.748  0.004  1.0
  P  P13  1  0.004  0.498  0.748  1.0
  P  P14  1  0.748  0.004  0.498  1.0
  P  P15  1  0.998  0.504  0.248  1.0
  P  P16  1  0.248  0.998  0.504  1.0
  P  P17  1  0.504  0.248  0.998  1.0
  O  O18  1  0.938  0.938  0.938  1.0
  O  O19  1  0.079  0.920  0.082  1.0
  O  O20  1  0.920  0.082  0.079  1.0
  O  O21  1  0.082  0.079  0.920  1.0
  O  O22  1  0.420  0.579  0.582  1.0
  O  O23  1  0.582  0.420  0.579  1.0
  O  O24  1  0.438  0.438  0.438  1.0
  O  O25  1  0.579  0.582  0.420  1.0
  O  O26  1  0.621  0.659  0.930  1.0
  O  O27  1  0.930  0.621  0.659  1.0
  O  O28  1  0.659  0.930  0.621  1.0
  O  O29  1  0.379  0.652  0.082  1.0
  O  O30  1  0.073  0.624  0.349  1.0
  O  O31  1  0.341  0.918  0.384  1.0
  O  O32  1  0.624  0.349  0.073  1.0
  O  O33  1  0.918  0.384  0.341  1.0
  O  O34  1  0.652  0.082  0.379  1.0
  O  O35  1  0.384  0.341  0.918  1.0
  O  O36  1  0.082  0.379  0.652  1.0
  O  O37  1  0.349  0.073  0.624  1.0
  O  O38  1  0.124  0.573  0.849  1.0
  O  O39  1  0.418  0.841  0.884  1.0
  O  O40  1  0.152  0.879  0.582  1.0
  O  O41  1  0.884  0.418  0.841  1.0
  O  O42  1  0.582  0.152  0.879  1.0
  O  O43  1  0.849  0.124  0.573  1.0
  O  O44  1  0.121  0.430  0.159  1.0
  O  O45  1  0.430  0.159  0.121  1.0
  O  O46  1  0.159  0.121  0.430  1.0
  O  O47  1  0.879  0.582  0.152  1.0
  O  O48  1  0.573  0.849  0.124  1.0
  O  O49  1  0.841  0.884  0.418  1.0
[/CIF]
.
The material described by Na3Zn3P3O16 crystallizes in the trigonal R3c space group. Na(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. Zn(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Zn(1)O4 tetrahedra. There are six inequivalent O sites. In the first 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 second O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Zn(1), and one P(1) atom. In the third O site, O(6) is bonded in a trigonal planar geometry to one Na(1), one Zn(1), and one P(1) atom. In the fourth O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent O(2) atoms. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one O(1) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Zn(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Na3Zn3P3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.050
_cell_length_b   9.050
_cell_length_c   9.050
_cell_angle_alpha   90.359
_cell_angle_beta   90.359
_cell_angle_gamma   90.359
_symmetry_Int_Tables_number   1
_cell_volume   741.206
_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  0.329  0.666  0.337  1.0
  Na  Na1  1  0.666  0.337  0.329  1.0
  Na  Na2  1  0.337  0.329  0.666  1.0
  Na  Na3  1  0.166  0.829  0.837  1.0
  Na  Na4  1  0.837  0.166  0.829  1.0
  Na  Na5  1  0.829  0.837  0.166  1.0
  Zn  Zn6  1  0.990  0.753  0.503  1.0
  Zn  Zn7  1  0.503  0.990  0.753  1.0
  Zn  Zn8  1  0.753  0.503  0.990  1.0
  Zn  Zn9  1  0.490  0.003  0.253  1.0
  Zn  Zn10  1  0.253  0.490  0.003  1.0
  Zn  Zn11  1  0.003  0.253  0.490  1.0
  P  P12  1  0.498  0.748  0.004  1.0
  P  P13  1  0.004  0.498  0.748  1.0
  P  P14  1  0.748  0.004  0.498  1.0
  P  P15  1  0.998  0.504  0.248  1.0
  P  P16  1  0.248  0.998  0.504  1.0
  P  P17  1  0.504  0.248  0.998  1.0
  O  O18  1  0.938  0.938  0.938  1.0
  O  O19  1  0.079  0.920  0.082  1.0
  O  O20  1  0.920  0.082  0.079  1.0
  O  O21  1  0.082  0.079  0.920  1.0
  O  O22  1  0.420  0.579  0.582  1.0
  O  O23  1  0.582  0.420  0.579  1.0
  O  O24  1  0.438  0.438  0.438  1.0
  O  O25  1  0.579  0.582  0.420  1.0
  O  O26  1  0.621  0.659  0.930  1.0
  O  O27  1  0.930  0.621  0.659  1.0
  O  O28  1  0.659  0.930  0.621  1.0
  O  O29  1  0.379  0.652  0.082  1.0
  O  O30  1  0.073  0.624  0.349  1.0
  O  O31  1  0.341  0.918  0.384  1.0
  O  O32  1  0.624  0.349  0.073  1.0
  O  O33  1  0.918  0.384  0.341  1.0
  O  O34  1  0.652  0.082  0.379  1.0
  O  O35  1  0.384  0.341  0.918  1.0
  O  O36  1  0.082  0.379  0.652  1.0
  O  O37  1  0.349  0.073  0.624  1.0
  O  O38  1  0.124  0.573  0.849  1.0
  O  O39  1  0.418  0.841  0.884  1.0
  O  O40  1  0.152  0.879  0.582  1.0
  O  O41  1  0.884  0.418  0.841  1.0
  O  O42  1  0.582  0.152  0.879  1.0
  O  O43  1  0.849  0.124  0.573  1.0
  O  O44  1  0.121  0.430  0.159  1.0
  O  O45  1  0.430  0.159  0.121  1.0
  O  O46  1  0.159  0.121  0.430  1.0
  O  O47  1  0.879  0.582  0.152  1.0
  O  O48  1  0.573  0.849  0.124  1.0
  O  O49  1  0.841  0.884  0.418  1.0
[/CIF]
.