The material structure described by Fe6OF11 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(5), one F(6), two equivalent F(1), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with three equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(2)OF5 octahedra,  an edgeedge with one Fe(5)F6 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the second Fe site, Fe(2) is bonded to one O(1), one F(4), one F(5), one F(7), and two equivalent F(1) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(4)OF5 octahedra, corners with three equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(5)F6 octahedra,  an edgeedge with one Fe(6)F6 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the third Fe site, Fe(3) is bonded to one O(1), one F(3), one F(5), one F(6), and two equivalent F(2) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(6)F6 octahedra, and  an edgeedge with one Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(4), two equivalent F(2), and two equivalent F(8) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)OF5 octahedra, corners with three equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(3)OF5 octahedra,  an edgeedge with one Fe(1)F6 octahedra, and  an edgeedge with one Fe(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fifth Fe site, Fe(5) is bonded to one F(3), one F(7), two equivalent F(1), and two equivalent F(2) atoms to form FeF6 octahedra that share corners with two equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(2)OF5 octahedra, corners with three equivalent Fe(3)OF5 octahedra,  an edgeedge with one Fe(1)F6 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the sixth Fe site, Fe(6) is bonded to one F(3), one F(4), one F(6), one F(7), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with two equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(2)OF5 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. is represented by the CIF card [CIF]
data_Fe6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   5.838
_cell_length_c   7.507
_cell_angle_alpha   73.928
_cell_angle_beta   73.928
_cell_angle_gamma   71.677
_symmetry_Int_Tables_number   1
_cell_volume   228.269
_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  0.331  0.331  0.163  1.0
  Fe  Fe1  1  0.664  0.664  0.346  1.0
  Fe  Fe2  1  0.354  0.354  0.666  1.0
  Fe  Fe3  1  0.661  0.661  0.828  1.0
  Fe  Fe4  1  0.003  0.003  0.503  1.0
  Fe  Fe5  1  0.997  0.997  0.998  1.0
  O  O6  1  0.555  0.555  0.639  1.0
  F  F7  1  0.966  0.364  0.325  1.0
  F  F8  1  0.631  0.042  0.669  1.0
  F  F9  1  0.120  0.120  0.690  1.0
  F  F10  1  0.762  0.762  0.032  1.0
  F  F11  1  0.419  0.419  0.379  1.0
  F  F12  1  0.241  0.241  0.950  1.0
  F  F13  1  0.899  0.899  0.304  1.0
  F  F14  1  0.042  0.631  0.669  1.0
  F  F15  1  0.364  0.966  0.325  1.0
  F  F16  1  0.701  0.292  0.008  1.0
  F  F17  1  0.292  0.701  0.008  1.0
[/CIF]
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The material structure described by Fe6OF11 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(5), one F(6), two equivalent F(1), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with two equivalent Fe(3)OF5 octahedra, corners with three equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(2)OF5 octahedra,  an edgeedge with one Fe(5)F6 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-56°. In the second Fe site, Fe(2) is bonded to one O(1), one F(4), one F(5), one F(7), and two equivalent F(1) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(4)OF5 octahedra, corners with three equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(5)F6 octahedra,  an edgeedge with one Fe(6)F6 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-56°. In the third Fe site, Fe(3) is bonded to one O(1), one F(3), one F(5), one F(6), and two equivalent F(2) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(6)F6 octahedra, and  an edgeedge with one Fe(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the fourth Fe site, Fe(4) is bonded to one O(1), one F(4), two equivalent F(2), and two equivalent F(8) atoms to form FeOF5 octahedra that share corners with two equivalent Fe(2)OF5 octahedra, corners with three equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(3)OF5 octahedra,  an edgeedge with one Fe(1)F6 octahedra, and  an edgeedge with one Fe(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fifth Fe site, Fe(5) is bonded to one F(3), one F(7), two equivalent F(1), and two equivalent F(2) atoms to form FeF6 octahedra that share corners with two equivalent Fe(6)F6 octahedra, corners with three equivalent Fe(2)OF5 octahedra, corners with three equivalent Fe(3)OF5 octahedra,  an edgeedge with one Fe(1)F6 octahedra, and  an edgeedge with one Fe(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the sixth Fe site, Fe(6) is bonded to one F(3), one F(4), one F(6), one F(7), and two equivalent F(8) atoms to form FeF6 octahedra that share corners with two equivalent Fe(5)F6 octahedra, corners with three equivalent Fe(1)F6 octahedra, corners with three equivalent Fe(4)OF5 octahedra,  an edgeedge with one Fe(2)OF5 octahedra, and  an edgeedge with one Fe(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. O(1) is bonded in a trigonal planar geometry to one Fe(2), one Fe(3), and one Fe(4) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Fe(1), one Fe(2), and one Fe(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(4), and one Fe(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Fe(3), one Fe(5), and one Fe(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(4), and one Fe(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Fe(1), one Fe(2), and one Fe(3) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Fe(1), one Fe(3), and one Fe(6) atom. In the seventh F site, F(7) is bonded in a trigonal planar geometry to one Fe(2), one Fe(5), and one Fe(6) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(4), and one Fe(6) atom. is represented by the CIF card [CIF]
data_Fe6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   5.838
_cell_length_c   7.507
_cell_angle_alpha   73.928
_cell_angle_beta   73.928
_cell_angle_gamma   71.677
_symmetry_Int_Tables_number   1
_cell_volume   228.269
_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  0.331  0.331  0.163  1.0
  Fe  Fe1  1  0.664  0.664  0.346  1.0
  Fe  Fe2  1  0.354  0.354  0.666  1.0
  Fe  Fe3  1  0.661  0.661  0.828  1.0
  Fe  Fe4  1  0.003  0.003  0.503  1.0
  Fe  Fe5  1  0.997  0.997  0.998  1.0
  O  O6  1  0.555  0.555  0.639  1.0
  F  F7  1  0.966  0.364  0.325  1.0
  F  F8  1  0.631  0.042  0.669  1.0
  F  F9  1  0.120  0.120  0.690  1.0
  F  F10  1  0.762  0.762  0.032  1.0
  F  F11  1  0.419  0.419  0.379  1.0
  F  F12  1  0.241  0.241  0.950  1.0
  F  F13  1  0.899  0.899  0.304  1.0
  F  F14  1  0.042  0.631  0.669  1.0
  F  F15  1  0.364  0.966  0.325  1.0
  F  F16  1  0.701  0.292  0.008  1.0
  F  F17  1  0.292  0.701  0.008  1.0
[/CIF]
.