The compound described by Fe7(AsO4)6 crystallizes in the triclinic P-1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(5), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(3), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the third Fe site, Fe(3) is bonded to one O(3), one O(6), one O(8), one O(9), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one As(3)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with three equivalent As(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra, and corners with two equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. There are three inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-56°. In the second As site, As(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with two equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-61°. In the third As site, As(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 31-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one As(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one As(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(4) and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one As(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Fe(3) and one As(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one As(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(3) and one As(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one As(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one As(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one As(3) atom. is represented by the CIF file [CIF]
data_Fe7(AsO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.641
_cell_length_b   7.969
_cell_length_c   9.650
_cell_angle_alpha   103.883
_cell_angle_beta   107.976
_cell_angle_gamma   101.182
_symmetry_Int_Tables_number   1
_cell_volume   451.251
_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  0.047  0.221  0.020  1.0
  Fe  Fe1  1  0.953  0.779  0.980  1.0
  Fe  Fe2  1  0.276  0.301  0.783  1.0
  Fe  Fe3  1  0.724  0.699  0.217  1.0
  Fe  Fe4  1  0.619  0.048  0.387  1.0
  Fe  Fe5  1  0.381  0.952  0.613  1.0
  Fe  Fe6  1  0.000  0.500  0.500  1.0
  As  As7  1  0.094  0.095  0.332  1.0
  As  As8  1  0.906  0.905  0.668  1.0
  As  As9  1  0.235  0.646  0.274  1.0
  As  As10  1  0.765  0.354  0.726  1.0
  As  As11  1  0.605  0.272  0.123  1.0
  As  As12  1  0.395  0.728  0.877  1.0
  O  O13  1  0.010  0.696  0.166  1.0
  O  O14  1  0.990  0.304  0.834  1.0
  O  O15  1  0.058  0.047  0.142  1.0
  O  O16  1  0.942  0.953  0.858  1.0
  O  O17  1  0.129  0.041  0.655  1.0
  O  O18  1  0.871  0.959  0.345  1.0
  O  O19  1  0.114  0.307  0.422  1.0
  O  O20  1  0.886  0.693  0.578  1.0
  O  O21  1  0.219  0.430  0.200  1.0
  O  O22  1  0.781  0.570  0.800  1.0
  O  O23  1  0.228  0.693  0.456  1.0
  O  O24  1  0.772  0.307  0.544  1.0
  O  O25  1  0.321  0.033  0.417  1.0
  O  O26  1  0.679  0.967  0.583  1.0
  O  O27  1  0.522  0.230  0.721  1.0
  O  O28  1  0.478  0.770  0.279  1.0
  O  O29  1  0.547  0.115  0.205  1.0
  O  O30  1  0.453  0.885  0.795  1.0
  O  O31  1  0.639  0.729  0.008  1.0
  O  O32  1  0.361  0.271  0.992  1.0
  O  O33  1  0.732  0.477  0.268  1.0
  O  O34  1  0.268  0.523  0.732  1.0
  O  O35  1  0.767  0.240  0.023  1.0
  O  O36  1  0.233  0.760  0.977  1.0
[/CIF]
.
The compound described by Fe7(AsO4)6 crystallizes in the triclinic P-1 space group. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(10), one O(12), one O(5), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(11), one O(3), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the third Fe site, Fe(3) is bonded to one O(3), one O(6), one O(8), one O(9), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one As(3)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with three equivalent As(1)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 60°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(11), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent As(1)O4 tetrahedra, corners with two equivalent As(2)O4 tetrahedra, corners with two equivalent As(3)O4 tetrahedra, and corners with two equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 60°. There are three inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-56°. In the second As site, As(2) is bonded to one O(1), one O(5), one O(6), and one O(8) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with two equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-61°. In the third As site, As(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form AsO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 31-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one As(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Fe(1) and one As(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one As(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Fe(4) and one As(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one As(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Fe(3), one Fe(4), and one As(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Fe(3) and one As(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(3), and one As(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(3) and one As(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one As(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one As(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Fe(1) and one As(3) atom. is represented by the CIF file [CIF]
data_Fe7(AsO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.641
_cell_length_b   7.969
_cell_length_c   9.650
_cell_angle_alpha   103.883
_cell_angle_beta   107.976
_cell_angle_gamma   101.182
_symmetry_Int_Tables_number   1
_cell_volume   451.251
_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  0.047  0.221  0.020  1.0
  Fe  Fe1  1  0.953  0.779  0.980  1.0
  Fe  Fe2  1  0.276  0.301  0.783  1.0
  Fe  Fe3  1  0.724  0.699  0.217  1.0
  Fe  Fe4  1  0.619  0.048  0.387  1.0
  Fe  Fe5  1  0.381  0.952  0.613  1.0
  Fe  Fe6  1  0.000  0.500  0.500  1.0
  As  As7  1  0.094  0.095  0.332  1.0
  As  As8  1  0.906  0.905  0.668  1.0
  As  As9  1  0.235  0.646  0.274  1.0
  As  As10  1  0.765  0.354  0.726  1.0
  As  As11  1  0.605  0.272  0.123  1.0
  As  As12  1  0.395  0.728  0.877  1.0
  O  O13  1  0.010  0.696  0.166  1.0
  O  O14  1  0.990  0.304  0.834  1.0
  O  O15  1  0.058  0.047  0.142  1.0
  O  O16  1  0.942  0.953  0.858  1.0
  O  O17  1  0.129  0.041  0.655  1.0
  O  O18  1  0.871  0.959  0.345  1.0
  O  O19  1  0.114  0.307  0.422  1.0
  O  O20  1  0.886  0.693  0.578  1.0
  O  O21  1  0.219  0.430  0.200  1.0
  O  O22  1  0.781  0.570  0.800  1.0
  O  O23  1  0.228  0.693  0.456  1.0
  O  O24  1  0.772  0.307  0.544  1.0
  O  O25  1  0.321  0.033  0.417  1.0
  O  O26  1  0.679  0.967  0.583  1.0
  O  O27  1  0.522  0.230  0.721  1.0
  O  O28  1  0.478  0.770  0.279  1.0
  O  O29  1  0.547  0.115  0.205  1.0
  O  O30  1  0.453  0.885  0.795  1.0
  O  O31  1  0.639  0.729  0.008  1.0
  O  O32  1  0.361  0.271  0.992  1.0
  O  O33  1  0.732  0.477  0.268  1.0
  O  O34  1  0.268  0.523  0.732  1.0
  O  O35  1  0.767  0.240  0.023  1.0
  O  O36  1  0.233  0.760  0.977  1.0
[/CIF]
.