The compound described by Fe6Bi(P3O13)2 crystallizes in the monoclinic Pm space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(17), one O(5), one O(9), and two equivalent O(20) atoms to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Fe site, Fe(2) is bonded to one O(10), one O(18), one O(6), and two equivalent O(19) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(13), one O(3), one O(5), and two equivalent O(16) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(14), one O(4), one O(6), and two equivalent O(15) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. Bi(1) is bonded in a 7-coordinate geometry to one O(13), two equivalent O(15), two equivalent O(19), and two equivalent O(2) atoms. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(5), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second P site, P(2) is bonded to one O(14), one O(6), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third P site, P(3) is bonded to one O(17), one O(3), and two equivalent O(19) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and corners with two equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 39°. In the fourth P site, P(4) is bonded to one O(18), one O(4), and two equivalent O(20) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 37°. In the fifth P site, P(5) is bonded to one O(7), one O(9), and two equivalent O(15) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-55°. In the sixth P site, P(6) is bonded to one O(10), one O(8), and two equivalent O(16) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-54°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Bi(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(5) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(5), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Fe(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Fe(3) and one P(6) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Fe(1) and one P(5) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Fe(2) and one P(6) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(3) atoms. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Fe(4), one Bi(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Fe(5) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Fe(5), one Bi(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Fe(2), one Bi(1), and one P(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe6Bi(P3O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.412
_cell_length_b   7.664
_cell_length_c   10.350
_cell_angle_alpha   79.958
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   500.783
_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
  Fe  Fe0  1  0.000  0.217  0.433  1.0
  Fe  Fe1  1  0.500  0.788  0.559  1.0
  Fe  Fe2  1  0.745  0.005  0.007  1.0
  Fe  Fe3  1  0.255  0.005  0.007  1.0
  Fe  Fe4  1  0.000  0.644  0.204  1.0
  Fe  Fe5  1  0.500  0.353  0.803  1.0
  Bi  Bi6  1  0.000  0.649  0.814  1.0
  P  P7  1  0.000  0.313  0.112  1.0
  P  P8  1  0.500  0.681  0.884  1.0
  P  P9  1  0.000  0.784  0.488  1.0
  P  P10  1  0.500  0.217  0.512  1.0
  P  P11  1  0.000  0.259  0.761  1.0
  P  P12  1  0.500  0.735  0.237  1.0
  O  O13  1  0.803  0.210  0.088  1.0
  O  O14  1  0.300  0.789  0.905  1.0
  O  O15  1  0.700  0.789  0.905  1.0
  O  O16  1  0.197  0.210  0.088  1.0
  O  O17  1  0.000  0.651  0.394  1.0
  O  O18  1  0.500  0.346  0.612  1.0
  O  O19  1  0.000  0.362  0.252  1.0
  O  O20  1  0.500  0.646  0.740  1.0
  O  O21  1  0.000  0.086  0.865  1.0
  O  O22  1  0.500  0.912  0.132  1.0
  O  O23  1  0.000  0.214  0.624  1.0
  O  O24  1  0.500  0.784  0.375  1.0
  O  O25  1  0.000  0.873  0.092  1.0
  O  O26  1  0.500  0.119  0.904  1.0
  O  O27  1  0.000  0.507  0.030  1.0
  O  O28  1  0.500  0.491  0.959  1.0
  O  O29  1  0.185  0.382  0.787  1.0
  O  O30  1  0.694  0.629  0.211  1.0
  O  O31  1  0.306  0.629  0.211  1.0
  O  O32  1  0.815  0.382  0.787  1.0
  O  O33  1  0.000  0.975  0.411  1.0
  O  O34  1  0.500  0.024  0.589  1.0
  O  O35  1  0.811  0.750  0.586  1.0
  O  O36  1  0.304  0.250  0.425  1.0
  O  O37  1  0.696  0.250  0.425  1.0
  O  O38  1  0.189  0.750  0.586  1.0
[/CIF]
.
The compound described by Fe6Bi(P3O13)2 crystallizes in the monoclinic Pm space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(17), one O(5), one O(9), and two equivalent O(20) atoms to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Fe site, Fe(2) is bonded to one O(10), one O(18), one O(6), and two equivalent O(19) atoms to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra,  a cornercorner with one P(6)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(13), one O(3), one O(5), and two equivalent O(16) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(6)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(14), one O(4), one O(6), and two equivalent O(15) atoms to form distorted FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(5)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. Bi(1) is bonded in a 7-coordinate geometry to one O(13), two equivalent O(15), two equivalent O(19), and two equivalent O(2) atoms. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(5), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second P site, P(2) is bonded to one O(14), one O(6), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the third P site, P(3) is bonded to one O(17), one O(3), and two equivalent O(19) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and corners with two equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 39°. In the fourth P site, P(4) is bonded to one O(18), one O(4), and two equivalent O(20) atoms to form PO4 tetrahedra that share  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 37°. In the fifth P site, P(5) is bonded to one O(7), one O(9), and two equivalent O(15) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra, and  a cornercorner with one Fe(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 45-55°. In the sixth P site, P(6) is bonded to one O(10), one O(8), and two equivalent O(16) atoms to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-54°. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Fe(3) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Bi(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(5) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(5), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Fe(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Fe(3) and one P(6) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Fe(1) and one P(5) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Fe(2) and one P(6) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(4) and two equivalent Fe(3) atoms. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(5) and two equivalent Fe(3) atoms. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Fe(4), one Bi(1), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Fe(5) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Fe(5), one Bi(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Fe(4) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(4) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Fe(2), one Bi(1), and one P(3) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe6Bi(P3O13)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.412
_cell_length_b   7.664
_cell_length_c   10.350
_cell_angle_alpha   79.958
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   500.783
_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
  Fe  Fe0  1  0.000  0.217  0.433  1.0
  Fe  Fe1  1  0.500  0.788  0.559  1.0
  Fe  Fe2  1  0.745  0.005  0.007  1.0
  Fe  Fe3  1  0.255  0.005  0.007  1.0
  Fe  Fe4  1  0.000  0.644  0.204  1.0
  Fe  Fe5  1  0.500  0.353  0.803  1.0
  Bi  Bi6  1  0.000  0.649  0.814  1.0
  P  P7  1  0.000  0.313  0.112  1.0
  P  P8  1  0.500  0.681  0.884  1.0
  P  P9  1  0.000  0.784  0.488  1.0
  P  P10  1  0.500  0.217  0.512  1.0
  P  P11  1  0.000  0.259  0.761  1.0
  P  P12  1  0.500  0.735  0.237  1.0
  O  O13  1  0.803  0.210  0.088  1.0
  O  O14  1  0.300  0.789  0.905  1.0
  O  O15  1  0.700  0.789  0.905  1.0
  O  O16  1  0.197  0.210  0.088  1.0
  O  O17  1  0.000  0.651  0.394  1.0
  O  O18  1  0.500  0.346  0.612  1.0
  O  O19  1  0.000  0.362  0.252  1.0
  O  O20  1  0.500  0.646  0.740  1.0
  O  O21  1  0.000  0.086  0.865  1.0
  O  O22  1  0.500  0.912  0.132  1.0
  O  O23  1  0.000  0.214  0.624  1.0
  O  O24  1  0.500  0.784  0.375  1.0
  O  O25  1  0.000  0.873  0.092  1.0
  O  O26  1  0.500  0.119  0.904  1.0
  O  O27  1  0.000  0.507  0.030  1.0
  O  O28  1  0.500  0.491  0.959  1.0
  O  O29  1  0.185  0.382  0.787  1.0
  O  O30  1  0.694  0.629  0.211  1.0
  O  O31  1  0.306  0.629  0.211  1.0
  O  O32  1  0.815  0.382  0.787  1.0
  O  O33  1  0.000  0.975  0.411  1.0
  O  O34  1  0.500  0.024  0.589  1.0
  O  O35  1  0.811  0.750  0.586  1.0
  O  O36  1  0.304  0.250  0.425  1.0
  O  O37  1  0.696  0.250  0.425  1.0
  O  O38  1  0.189  0.750  0.586  1.0
[/CIF]
.