The crystal structure described by Mn6O5F7 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one F(3), one F(4), and one F(7) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with four equivalent Mn(6)OF5 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-63°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one F(2), one F(4), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(6)OF5 octahedra, corners with four equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF5 octahedra, corners with four equivalent Mn(5)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one F(1), one F(2), one F(5), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(2)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one O(5), one F(1), one F(5), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form MnOF5 octahedra that share corners with two equivalent Mn(2)O3F3 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) 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 distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.794
_cell_length_b   5.749
_cell_length_c   7.908
_cell_angle_alpha   84.667
_cell_angle_beta   87.057
_cell_angle_gamma   84.787
_symmetry_Int_Tables_number   1
_cell_volume   215.902
_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  0.533  0.522  0.011  1.0
  Mn  Mn1  1  0.516  0.828  0.648  1.0
  Mn  Mn2  1  0.476  0.170  0.348  1.0
  Mn  Mn3  1  0.997  0.335  0.670  1.0
  Mn  Mn4  1  0.989  0.660  0.323  1.0
  Mn  Mn5  1  0.995  0.988  0.005  1.0
  O  O6  1  0.830  0.716  0.098  1.0
  O  O7  1  0.704  0.542  0.762  1.0
  O  O8  1  0.695  0.875  0.428  1.0
  O  O9  1  0.299  0.126  0.572  1.0
  O  O10  1  0.303  0.462  0.238  1.0
  F  F11  1  0.802  0.363  0.442  1.0
  F  F12  1  0.800  0.044  0.781  1.0
  F  F13  1  0.692  0.195  0.121  1.0
  F  F14  1  0.308  0.804  0.874  1.0
  F  F15  1  0.178  0.626  0.551  1.0
  F  F16  1  0.209  0.967  0.217  1.0
  F  F17  1  0.176  0.277  0.910  1.0
[/CIF]
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The crystal structure described by Mn6O5F7 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one F(3), one F(4), and one F(7) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with four equivalent Mn(6)OF5 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-63°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one F(2), one F(4), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(6)OF5 octahedra, corners with four equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(6)OF5 octahedra, corners with four equivalent Mn(5)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one F(1), one F(2), one F(5), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(2)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one O(5), one F(1), one F(5), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form MnOF5 octahedra that share corners with two equivalent Mn(2)O3F3 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) 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 distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn6O5F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.794
_cell_length_b   5.749
_cell_length_c   7.908
_cell_angle_alpha   84.667
_cell_angle_beta   87.057
_cell_angle_gamma   84.787
_symmetry_Int_Tables_number   1
_cell_volume   215.902
_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  0.533  0.522  0.011  1.0
  Mn  Mn1  1  0.516  0.828  0.648  1.0
  Mn  Mn2  1  0.476  0.170  0.348  1.0
  Mn  Mn3  1  0.997  0.335  0.670  1.0
  Mn  Mn4  1  0.989  0.660  0.323  1.0
  Mn  Mn5  1  0.995  0.988  0.005  1.0
  O  O6  1  0.830  0.716  0.098  1.0
  O  O7  1  0.704  0.542  0.762  1.0
  O  O8  1  0.695  0.875  0.428  1.0
  O  O9  1  0.299  0.126  0.572  1.0
  O  O10  1  0.303  0.462  0.238  1.0
  F  F11  1  0.802  0.363  0.442  1.0
  F  F12  1  0.800  0.044  0.781  1.0
  F  F13  1  0.692  0.195  0.121  1.0
  F  F14  1  0.308  0.804  0.874  1.0
  F  F15  1  0.178  0.626  0.551  1.0
  F  F16  1  0.209  0.967  0.217  1.0
  F  F17  1  0.176  0.277  0.910  1.0
[/CIF]
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