The compound 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 65°. 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 53°. 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 distorted 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 file [CIF]
data_Zn3(PO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   5.929
_cell_length_c   7.844
_cell_angle_alpha   93.438
_cell_angle_beta   95.952
_cell_angle_gamma   90.370
_symmetry_Int_Tables_number   1
_cell_volume   238.138
_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  0.172  0.742  0.387  1.0
  Zn  Zn2  1  0.828  0.258  0.613  1.0
  P  P3  1  0.707  0.757  0.632  1.0
  P  P4  1  0.293  0.243  0.368  1.0
  O  O5  1  0.789  0.550  0.734  1.0
  O  O6  1  0.211  0.450  0.266  1.0
  O  O7  1  0.407  0.765  0.602  1.0
  O  O8  1  0.593  0.235  0.398  1.0
  O  O9  1  0.811  0.977  0.740  1.0
  O  O10  1  0.189  0.023  0.260  1.0
  O  O11  1  0.818  0.752  0.457  1.0
  O  O12  1  0.182  0.248  0.543  1.0
  O  O13  1  0.695  0.841  0.084  1.0
  O  O14  1  0.305  0.159  0.916  1.0
  O  O15  1  0.297  0.800  0.943  1.0
  O  O16  1  0.703  0.200  0.057  1.0
[/CIF]
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The compound 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 65°. 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 53°. 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 distorted 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 file [CIF]
data_Zn3(PO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   5.929
_cell_length_c   7.844
_cell_angle_alpha   93.438
_cell_angle_beta   95.952
_cell_angle_gamma   90.370
_symmetry_Int_Tables_number   1
_cell_volume   238.138
_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  0.172  0.742  0.387  1.0
  Zn  Zn2  1  0.828  0.258  0.613  1.0
  P  P3  1  0.707  0.757  0.632  1.0
  P  P4  1  0.293  0.243  0.368  1.0
  O  O5  1  0.789  0.550  0.734  1.0
  O  O6  1  0.211  0.450  0.266  1.0
  O  O7  1  0.407  0.765  0.602  1.0
  O  O8  1  0.593  0.235  0.398  1.0
  O  O9  1  0.811  0.977  0.740  1.0
  O  O10  1  0.189  0.023  0.260  1.0
  O  O11  1  0.818  0.752  0.457  1.0
  O  O12  1  0.182  0.248  0.543  1.0
  O  O13  1  0.695  0.841  0.084  1.0
  O  O14  1  0.305  0.159  0.916  1.0
  O  O15  1  0.297  0.800  0.943  1.0
  O  O16  1  0.703  0.200  0.057  1.0
[/CIF]
.