The material structure described by Mn3O5F 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(10), one O(2), one O(5), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(3)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(6)O5F octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(6), one O(8), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(3)O5F octahedra, and  an edgeedge with one Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O5F octahedra, corners with three equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O5F octahedra, and  an edgeedge with one Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(3), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(3)O5F octahedra, corners with three equivalent Mn(6)O5F octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(7), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(6)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(3)O5F octahedra,  an edgeedge with one Mn(1)O5F octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(3), one O(4), one O(5), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(1)O5F octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O5F octahedra, and  an edgeedge with one Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) 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(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.449
_cell_length_b   5.462
_cell_length_c   7.109
_cell_angle_alpha   72.600
_cell_angle_beta   72.614
_cell_angle_gamma   72.178
_symmetry_Int_Tables_number   1
_cell_volume   187.164
_cell_formula_units_Z   2
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  0.653  0.667  0.843  1.0
  Mn  Mn1  1  0.360  0.316  0.668  1.0
  Mn  Mn2  1  0.651  0.658  0.333  1.0
  Mn  Mn3  1  0.332  0.332  0.162  1.0
  Mn  Mn4  1  0.008  0.023  0.502  1.0
  Mn  Mn5  1  0.998  0.005  0.991  1.0
  O  O6  1  0.357  0.975  0.331  1.0
  O  O7  1  0.567  0.562  0.629  1.0
  O  O8  1  0.233  0.235  0.958  1.0
  O  O9  1  0.112  0.108  0.700  1.0
  O  O10  1  0.765  0.766  0.039  1.0
  O  O11  1  0.428  0.433  0.374  1.0
  O  O12  1  0.969  0.366  0.328  1.0
  O  O13  1  0.649  0.023  0.665  1.0
  O  O14  1  0.301  0.694  0.003  1.0
  O  O15  1  0.690  0.308  0.001  1.0
  F  F16  1  0.035  0.635  0.667  1.0
  F  F17  1  0.893  0.893  0.305  1.0
[/CIF]
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The material structure described by Mn3O5F 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(10), one O(2), one O(5), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(3)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(6)O5F octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(6), one O(8), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(3)O5F octahedra, and  an edgeedge with one Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O5F octahedra, corners with three equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O5F octahedra, and  an edgeedge with one Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(3), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(3)O5F octahedra, corners with three equivalent Mn(6)O5F octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(7), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(6)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(3)O5F octahedra,  an edgeedge with one Mn(1)O5F octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(3), one O(4), one O(5), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(1)O5F octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(2)O5F octahedra, and  an edgeedge with one Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-55°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) 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(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.449
_cell_length_b   5.462
_cell_length_c   7.109
_cell_angle_alpha   72.600
_cell_angle_beta   72.614
_cell_angle_gamma   72.178
_symmetry_Int_Tables_number   1
_cell_volume   187.164
_cell_formula_units_Z   2
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  0.653  0.667  0.843  1.0
  Mn  Mn1  1  0.360  0.316  0.668  1.0
  Mn  Mn2  1  0.651  0.658  0.333  1.0
  Mn  Mn3  1  0.332  0.332  0.162  1.0
  Mn  Mn4  1  0.008  0.023  0.502  1.0
  Mn  Mn5  1  0.998  0.005  0.991  1.0
  O  O6  1  0.357  0.975  0.331  1.0
  O  O7  1  0.567  0.562  0.629  1.0
  O  O8  1  0.233  0.235  0.958  1.0
  O  O9  1  0.112  0.108  0.700  1.0
  O  O10  1  0.765  0.766  0.039  1.0
  O  O11  1  0.428  0.433  0.374  1.0
  O  O12  1  0.969  0.366  0.328  1.0
  O  O13  1  0.649  0.023  0.665  1.0
  O  O14  1  0.301  0.694  0.003  1.0
  O  O15  1  0.690  0.308  0.001  1.0
  F  F16  1  0.035  0.635  0.667  1.0
  F  F17  1  0.893  0.893  0.305  1.0
[/CIF]
.