The crystal structure described by Fe5Zn4(P3O14)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(2), one O(3), one O(4), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(14), one O(6), one O(8), one O(9), and two equivalent O(12) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to two equivalent O(10), two equivalent O(13), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  a cornercorner with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 60-67°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 29-61°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-55°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(12), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and  a cornercorner with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-54°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Zn(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Zn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(3), one Zn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Fe(2) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Fe(1) and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Fe(2) atom. is represented by the CIF file [CIF]
data_Zn4Fe5(P3O14)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.417
_cell_length_b   8.888
_cell_length_c   10.129
_cell_angle_alpha   71.432
_cell_angle_beta   77.945
_cell_angle_gamma   74.519
_symmetry_Int_Tables_number   1
_cell_volume   522.857
_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  0.022  0.489  0.202  1.0
  Zn  Zn1  1  0.978  0.511  0.798  1.0
  Zn  Zn2  1  0.045  0.846  0.222  1.0
  Zn  Zn3  1  0.955  0.154  0.778  1.0
  Fe  Fe4  1  0.474  0.226  0.174  1.0
  Fe  Fe5  1  0.526  0.774  0.826  1.0
  Fe  Fe6  1  0.292  0.628  0.518  1.0
  Fe  Fe7  1  0.708  0.372  0.482  1.0
  Fe  Fe8  1  0.500  0.000  0.000  1.0
  P  P9  1  0.012  0.207  0.070  1.0
  P  P10  1  0.988  0.793  0.930  1.0
  P  P11  1  0.479  0.601  0.191  1.0
  P  P12  1  0.521  0.399  0.809  1.0
  P  P13  1  0.237  0.281  0.478  1.0
  P  P14  1  0.763  0.719  0.522  1.0
  O  O15  1  0.368  0.187  0.373  1.0
  O  O16  1  0.632  0.813  0.627  1.0
  O  O17  1  0.789  0.205  0.157  1.0
  O  O18  1  0.211  0.795  0.843  1.0
  O  O19  1  0.134  0.301  0.122  1.0
  O  O20  1  0.866  0.699  0.878  1.0
  O  O21  1  0.385  0.475  0.157  1.0
  O  O22  1  0.615  0.525  0.843  1.0
  O  O23  1  0.494  0.256  0.945  1.0
  O  O24  1  0.506  0.744  0.055  1.0
  O  O25  1  0.025  0.400  0.414  1.0
  O  O26  1  0.975  0.600  0.586  1.0
  O  O27  1  0.001  0.720  0.092  1.0
  O  O28  1  0.999  0.280  0.908  1.0
  O  O29  1  0.308  0.487  0.744  1.0
  O  O30  1  0.692  0.513  0.256  1.0
  O  O31  1  0.308  0.682  0.298  1.0
  O  O32  1  0.692  0.318  0.702  1.0
  O  O33  1  0.154  0.030  0.083  1.0
  O  O34  1  0.846  0.970  0.917  1.0
  O  O35  1  0.827  0.830  0.380  1.0
  O  O36  1  0.173  0.170  0.620  1.0
  O  O37  1  0.377  0.396  0.493  1.0
  O  O38  1  0.623  0.604  0.507  1.0
  O  O39  1  0.530  0.005  0.168  1.0
  O  O40  1  0.470  0.995  0.832  1.0
  O  O41  1  0.232  0.818  0.521  1.0
  O  O42  1  0.768  0.182  0.479  1.0
[/CIF]
.
The crystal structure described by Fe5Zn4(P3O14)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(2), one O(3), one O(4), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(14), one O(6), one O(8), one O(9), and two equivalent O(12) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to two equivalent O(10), two equivalent O(13), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  a cornercorner with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 60-67°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 29-61°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-55°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(12), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and  a cornercorner with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-54°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Zn(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Zn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(3), one Zn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Fe(2) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Fe(1) and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Fe(2) atom. is represented by the CIF file [CIF]
data_Zn4Fe5(P3O14)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.417
_cell_length_b   8.888
_cell_length_c   10.129
_cell_angle_alpha   71.432
_cell_angle_beta   77.945
_cell_angle_gamma   74.519
_symmetry_Int_Tables_number   1
_cell_volume   522.857
_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  0.022  0.489  0.202  1.0
  Zn  Zn1  1  0.978  0.511  0.798  1.0
  Zn  Zn2  1  0.045  0.846  0.222  1.0
  Zn  Zn3  1  0.955  0.154  0.778  1.0
  Fe  Fe4  1  0.474  0.226  0.174  1.0
  Fe  Fe5  1  0.526  0.774  0.826  1.0
  Fe  Fe6  1  0.292  0.628  0.518  1.0
  Fe  Fe7  1  0.708  0.372  0.482  1.0
  Fe  Fe8  1  0.500  0.000  0.000  1.0
  P  P9  1  0.012  0.207  0.070  1.0
  P  P10  1  0.988  0.793  0.930  1.0
  P  P11  1  0.479  0.601  0.191  1.0
  P  P12  1  0.521  0.399  0.809  1.0
  P  P13  1  0.237  0.281  0.478  1.0
  P  P14  1  0.763  0.719  0.522  1.0
  O  O15  1  0.368  0.187  0.373  1.0
  O  O16  1  0.632  0.813  0.627  1.0
  O  O17  1  0.789  0.205  0.157  1.0
  O  O18  1  0.211  0.795  0.843  1.0
  O  O19  1  0.134  0.301  0.122  1.0
  O  O20  1  0.866  0.699  0.878  1.0
  O  O21  1  0.385  0.475  0.157  1.0
  O  O22  1  0.615  0.525  0.843  1.0
  O  O23  1  0.494  0.256  0.945  1.0
  O  O24  1  0.506  0.744  0.055  1.0
  O  O25  1  0.025  0.400  0.414  1.0
  O  O26  1  0.975  0.600  0.586  1.0
  O  O27  1  0.001  0.720  0.092  1.0
  O  O28  1  0.999  0.280  0.908  1.0
  O  O29  1  0.308  0.487  0.744  1.0
  O  O30  1  0.692  0.513  0.256  1.0
  O  O31  1  0.308  0.682  0.298  1.0
  O  O32  1  0.692  0.318  0.702  1.0
  O  O33  1  0.154  0.030  0.083  1.0
  O  O34  1  0.846  0.970  0.917  1.0
  O  O35  1  0.827  0.830  0.380  1.0
  O  O36  1  0.173  0.170  0.620  1.0
  O  O37  1  0.377  0.396  0.493  1.0
  O  O38  1  0.623  0.604  0.507  1.0
  O  O39  1  0.530  0.005  0.168  1.0
  O  O40  1  0.470  0.995  0.832  1.0
  O  O41  1  0.232  0.818  0.521  1.0
  O  O42  1  0.768  0.182  0.479  1.0
[/CIF]
.