The material described by Zn4P2O13 crystallizes in the monoclinic P2/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Zn(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Zn(1)O6 octahedra. In the third Zn site, Zn(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. 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 corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, and corners with two equivalent Zn(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-46°. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(3) and one O(7) atom. In the second O site, O(7) is bonded in a bent 120 degrees geometry to two equivalent O(6) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one P(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(3) and one P(1) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(3) and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one Zn(3) atom. is represented by the CIF file [CIF]
data_Zn4P2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.299
_cell_length_b   10.464
_cell_length_c   11.431
_cell_angle_alpha   58.652
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.283
_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
  Zn  Zn0  1  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.047  0.000  0.750  1.0
  Zn  Zn3  1  0.953  0.000  0.250  1.0
  Zn  Zn4  1  0.696  0.712  0.002  1.0
  Zn  Zn5  1  0.696  0.288  0.498  1.0
  Zn  Zn6  1  0.304  0.288  0.998  1.0
  Zn  Zn7  1  0.304  0.712  0.502  1.0
  P  P8  1  0.518  0.808  0.706  1.0
  P  P9  1  0.518  0.192  0.794  1.0
  P  P10  1  0.482  0.192  0.294  1.0
  P  P11  1  0.482  0.808  0.206  1.0
  O  O12  1  0.286  0.913  0.663  1.0
  O  O13  1  0.286  0.087  0.837  1.0
  O  O14  1  0.714  0.087  0.337  1.0
  O  O15  1  0.714  0.913  0.163  1.0
  O  O16  1  0.768  0.901  0.669  1.0
  O  O17  1  0.768  0.099  0.831  1.0
  O  O18  1  0.232  0.099  0.331  1.0
  O  O19  1  0.232  0.901  0.169  1.0
  O  O20  1  0.522  0.697  0.863  1.0
  O  O21  1  0.522  0.303  0.637  1.0
  O  O22  1  0.478  0.303  0.137  1.0
  O  O23  1  0.478  0.697  0.363  1.0
  O  O24  1  0.521  0.723  0.629  1.0
  O  O25  1  0.521  0.277  0.871  1.0
  O  O26  1  0.479  0.277  0.371  1.0
  O  O27  1  0.479  0.723  0.129  1.0
  O  O28  1  0.978  0.846  0.945  1.0
  O  O29  1  0.978  0.154  0.555  1.0
  O  O30  1  0.022  0.154  0.055  1.0
  O  O31  1  0.022  0.846  0.445  1.0
  O  O32  1  0.898  0.508  0.148  1.0
  O  O33  1  0.898  0.492  0.352  1.0
  O  O34  1  0.102  0.492  0.852  1.0
  O  O35  1  0.102  0.508  0.648  1.0
  O  O36  1  0.971  0.500  0.750  1.0
  O  O37  1  0.029  0.500  0.250  1.0
[/CIF]
.
The material described by Zn4P2O13 crystallizes in the monoclinic P2/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Zn(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(3)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Zn(1)O6 octahedra. In the third Zn site, Zn(3) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. 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 corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, and corners with two equivalent Zn(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-46°. There are seven inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Zn(3) and one O(7) atom. In the second O site, O(7) is bonded in a bent 120 degrees geometry to two equivalent O(6) atoms. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one P(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one P(1) atom. In the fifth O site, O(3) is bonded in a bent 120 degrees geometry to one Zn(3) and one P(1) atom. In the sixth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Zn(3) and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one Zn(3) atom. is represented by the CIF file [CIF]
data_Zn4P2O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.299
_cell_length_b   10.464
_cell_length_c   11.431
_cell_angle_alpha   58.652
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   541.283
_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
  Zn  Zn0  1  0.000  0.000  0.500  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.047  0.000  0.750  1.0
  Zn  Zn3  1  0.953  0.000  0.250  1.0
  Zn  Zn4  1  0.696  0.712  0.002  1.0
  Zn  Zn5  1  0.696  0.288  0.498  1.0
  Zn  Zn6  1  0.304  0.288  0.998  1.0
  Zn  Zn7  1  0.304  0.712  0.502  1.0
  P  P8  1  0.518  0.808  0.706  1.0
  P  P9  1  0.518  0.192  0.794  1.0
  P  P10  1  0.482  0.192  0.294  1.0
  P  P11  1  0.482  0.808  0.206  1.0
  O  O12  1  0.286  0.913  0.663  1.0
  O  O13  1  0.286  0.087  0.837  1.0
  O  O14  1  0.714  0.087  0.337  1.0
  O  O15  1  0.714  0.913  0.163  1.0
  O  O16  1  0.768  0.901  0.669  1.0
  O  O17  1  0.768  0.099  0.831  1.0
  O  O18  1  0.232  0.099  0.331  1.0
  O  O19  1  0.232  0.901  0.169  1.0
  O  O20  1  0.522  0.697  0.863  1.0
  O  O21  1  0.522  0.303  0.637  1.0
  O  O22  1  0.478  0.303  0.137  1.0
  O  O23  1  0.478  0.697  0.363  1.0
  O  O24  1  0.521  0.723  0.629  1.0
  O  O25  1  0.521  0.277  0.871  1.0
  O  O26  1  0.479  0.277  0.371  1.0
  O  O27  1  0.479  0.723  0.129  1.0
  O  O28  1  0.978  0.846  0.945  1.0
  O  O29  1  0.978  0.154  0.555  1.0
  O  O30  1  0.022  0.154  0.055  1.0
  O  O31  1  0.022  0.846  0.445  1.0
  O  O32  1  0.898  0.508  0.148  1.0
  O  O33  1  0.898  0.492  0.352  1.0
  O  O34  1  0.102  0.492  0.852  1.0
  O  O35  1  0.102  0.508  0.648  1.0
  O  O36  1  0.971  0.500  0.750  1.0
  O  O37  1  0.029  0.500  0.250  1.0
[/CIF]
.