The material structure described by Zn3(PO6)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. 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 and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Zn(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Zn(1) atom. is represented by the CIF card [CIF]
data_Zn3(PO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.111
_cell_length_b   5.964
_cell_length_c   7.643
_cell_angle_alpha   102.590
_cell_angle_beta   96.411
_cell_angle_gamma   90.281
_symmetry_Int_Tables_number   1
_cell_volume   225.883
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.154  0.714  0.379  1.0
  Zn  Zn2  1  0.846  0.286  0.621  1.0
  P  P3  1  0.698  0.786  0.630  1.0
  P  P4  1  0.302  0.214  0.370  1.0
  O  O5  1  0.794  0.605  0.743  1.0
  O  O6  1  0.206  0.395  0.257  1.0
  O  O7  1  0.394  0.795  0.607  1.0
  O  O8  1  0.606  0.205  0.393  1.0
  O  O9  1  0.817  0.025  0.742  1.0
  O  O10  1  0.183  0.975  0.258  1.0
  O  O11  1  0.794  0.723  0.443  1.0
  O  O12  1  0.206  0.277  0.557  1.0
  O  O13  1  0.717  0.763  0.027  1.0
  O  O14  1  0.283  0.237  0.973  1.0
  O  O15  1  0.335  0.830  0.911  1.0
  O  O16  1  0.665  0.170  0.089  1.0
[/CIF]
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The material structure described by Zn3(PO6)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra and corners with two equivalent P(1)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. 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 and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 68°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Zn(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Zn(1) atom. is represented by the CIF card [CIF]
data_Zn3(PO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.111
_cell_length_b   5.964
_cell_length_c   7.643
_cell_angle_alpha   102.590
_cell_angle_beta   96.411
_cell_angle_gamma   90.281
_symmetry_Int_Tables_number   1
_cell_volume   225.883
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.154  0.714  0.379  1.0
  Zn  Zn2  1  0.846  0.286  0.621  1.0
  P  P3  1  0.698  0.786  0.630  1.0
  P  P4  1  0.302  0.214  0.370  1.0
  O  O5  1  0.794  0.605  0.743  1.0
  O  O6  1  0.206  0.395  0.257  1.0
  O  O7  1  0.394  0.795  0.607  1.0
  O  O8  1  0.606  0.205  0.393  1.0
  O  O9  1  0.817  0.025  0.742  1.0
  O  O10  1  0.183  0.975  0.258  1.0
  O  O11  1  0.794  0.723  0.443  1.0
  O  O12  1  0.206  0.277  0.557  1.0
  O  O13  1  0.717  0.763  0.027  1.0
  O  O14  1  0.283  0.237  0.973  1.0
  O  O15  1  0.335  0.830  0.911  1.0
  O  O16  1  0.665  0.170  0.089  1.0
[/CIF]
.