The compound described by Mn6O7F5 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(4)O3F3 octahedra, corners with five equivalent Mn(2)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(1), and two equivalent F(2) atoms to form MnO3F3 octahedra that share corners with three equivalent Mn(3)O4F2 octahedra, corners with five equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O3F3 octahedra, corners with six equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the fourth Mn site, Mn(4) is bonded to one O(4), two equivalent O(2), one F(3), and two equivalent F(1) atoms to form MnO3F3 octahedra that share corners with two equivalent Mn(3)O4F2 octahedra, corners with six equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.631
_cell_length_b   5.631
_cell_length_c   7.577
_cell_angle_alpha   69.480
_cell_angle_beta   69.480
_cell_angle_gamma   69.251
_symmetry_Int_Tables_number   1
_cell_volume   203.288
_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
  Mn  Mn0  1  0.691  0.681  0.845  1.0
  Mn  Mn1  1  0.338  0.329  0.679  1.0
  Mn  Mn2  1  0.671  0.662  0.321  1.0
  Mn  Mn3  1  0.319  0.309  0.155  1.0
  Mn  Mn4  1  0.006  0.994  0.500  1.0
  Mn  Mn5  1  0.975  0.025  0.000  1.0
  O  O6  1  0.647  0.026  0.669  1.0
  O  O7  1  0.974  0.353  0.331  1.0
  O  O8  1  0.218  0.226  0.957  1.0
  O  O9  1  0.774  0.782  0.043  1.0
  O  O10  1  0.364  0.963  0.332  1.0
  O  O11  1  0.037  0.636  0.668  1.0
  O  O12  1  0.677  0.323  0.000  1.0
  F  F13  1  0.906  0.898  0.302  1.0
  F  F14  1  0.578  0.574  0.617  1.0
  F  F15  1  0.102  0.094  0.698  1.0
  F  F16  1  0.426  0.422  0.383  1.0
  F  F17  1  0.296  0.704  0.000  1.0
[/CIF]
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The compound described by Mn6O7F5 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(4)O3F3 octahedra, corners with five equivalent Mn(2)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(1), and two equivalent F(2) atoms to form MnO3F3 octahedra that share corners with three equivalent Mn(3)O4F2 octahedra, corners with five equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O3F3 octahedra, corners with six equivalent Mn(2)O3F3 octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the fourth Mn site, Mn(4) is bonded to one O(4), two equivalent O(2), one F(3), and two equivalent F(1) atoms to form MnO3F3 octahedra that share corners with two equivalent Mn(3)O4F2 octahedra, corners with six equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.631
_cell_length_b   5.631
_cell_length_c   7.577
_cell_angle_alpha   69.480
_cell_angle_beta   69.480
_cell_angle_gamma   69.251
_symmetry_Int_Tables_number   1
_cell_volume   203.288
_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
  Mn  Mn0  1  0.691  0.681  0.845  1.0
  Mn  Mn1  1  0.338  0.329  0.679  1.0
  Mn  Mn2  1  0.671  0.662  0.321  1.0
  Mn  Mn3  1  0.319  0.309  0.155  1.0
  Mn  Mn4  1  0.006  0.994  0.500  1.0
  Mn  Mn5  1  0.975  0.025  0.000  1.0
  O  O6  1  0.647  0.026  0.669  1.0
  O  O7  1  0.974  0.353  0.331  1.0
  O  O8  1  0.218  0.226  0.957  1.0
  O  O9  1  0.774  0.782  0.043  1.0
  O  O10  1  0.364  0.963  0.332  1.0
  O  O11  1  0.037  0.636  0.668  1.0
  O  O12  1  0.677  0.323  0.000  1.0
  F  F13  1  0.906  0.898  0.302  1.0
  F  F14  1  0.578  0.574  0.617  1.0
  F  F15  1  0.102  0.094  0.698  1.0
  F  F16  1  0.426  0.422  0.383  1.0
  F  F17  1  0.296  0.704  0.000  1.0
[/CIF]
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