The compound described by Mn3OF5 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(2), one F(1), one F(10), one F(4), one F(7), and one F(9) atom to form MnOF5 octahedra that share corners with two equivalent Mn(3)OF5 octahedra, corners with three equivalent Mn(2)OF5 octahedra, corners with three equivalent Mn(6)OF5 octahedra,  an edgeedge with one Mn(5)F6 octahedra, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(4), one F(5), one F(6), and one F(9) atom to form MnOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(5)F6 octahedra, corners with three equivalent Mn(1)OF5 octahedra,  an edgeedge with one Mn(3)OF5 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the third Mn site, Mn(3) is bonded to one O(1), one F(2), one F(3), one F(4), one F(7), and one F(8) atom to form MnOF5 octahedra that share corners with two equivalent Mn(1)OF5 octahedra, corners with three equivalent Mn(5)F6 octahedra, corners with three equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(2)OF5 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(10), one F(2), one F(5), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(2)OF5 octahedra, corners with three equivalent Mn(3)OF5 octahedra, corners with three equivalent Mn(6)OF5 octahedra,  an edgeedge with one Mn(5)F6 octahedra, and  an edgeedge with one Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the fifth Mn site, Mn(5) is bonded to one F(1), one F(2), one F(3), one F(6), one F(8), and one F(9) atom to form MnF6 octahedra that share corners with two equivalent Mn(6)OF5 octahedra, corners with three equivalent Mn(2)OF5 octahedra, corners with three equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the sixth Mn site, Mn(6) is bonded to one O(2), one F(10), one F(3), one F(5), one F(6), and one F(7) atom to form MnOF5 octahedra that share corners with two equivalent Mn(5)F6 octahedra, corners with three equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(1)OF5 octahedra,  an edgeedge with one Mn(2)OF5 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are ten 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 trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(3) 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(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Mn(2), 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(3), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.858
_cell_length_b   5.892
_cell_length_c   7.575
_cell_angle_alpha   73.756
_cell_angle_beta   73.480
_cell_angle_gamma   71.895
_symmetry_Int_Tables_number   1
_cell_volume   232.945
_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  0.340  0.348  0.157  1.0
  Mn  Mn1  1  0.661  0.671  0.349  1.0
  Mn  Mn2  1  0.338  0.355  0.675  1.0
  Mn  Mn3  1  0.638  0.665  0.828  1.0
  Mn  Mn4  1  0.000  0.006  0.501  1.0
  Mn  Mn5  1  0.021  0.969  0.994  1.0
  O  O6  1  0.557  0.582  0.636  1.0
  O  O7  1  0.315  0.670  0.999  1.0
  F  F8  1  0.368  0.999  0.318  1.0
  F  F9  1  1.000  0.639  0.678  1.0
  F  F10  1  0.114  0.106  0.702  1.0
  F  F11  1  0.426  0.440  0.367  1.0
  F  F12  1  0.758  0.754  0.030  1.0
  F  F13  1  0.910  0.895  0.293  1.0
  F  F14  1  0.234  0.222  0.973  1.0
  F  F15  1  0.637  0.036  0.667  1.0
  F  F16  1  0.974  0.369  0.328  1.0
  F  F17  1  0.710  0.276  0.005  1.0
[/CIF]
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The compound described by Mn3OF5 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(2), one F(1), one F(10), one F(4), one F(7), and one F(9) atom to form MnOF5 octahedra that share corners with two equivalent Mn(3)OF5 octahedra, corners with three equivalent Mn(2)OF5 octahedra, corners with three equivalent Mn(6)OF5 octahedra,  an edgeedge with one Mn(5)F6 octahedra, and  an edgeedge with one Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the second Mn site, Mn(2) is bonded to one O(1), one F(1), one F(4), one F(5), one F(6), and one F(9) atom to form MnOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(5)F6 octahedra, corners with three equivalent Mn(1)OF5 octahedra,  an edgeedge with one Mn(3)OF5 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the third Mn site, Mn(3) is bonded to one O(1), one F(2), one F(3), one F(4), one F(7), and one F(8) atom to form MnOF5 octahedra that share corners with two equivalent Mn(1)OF5 octahedra, corners with three equivalent Mn(5)F6 octahedra, corners with three equivalent Mn(4)O2F4 octahedra,  an edgeedge with one Mn(2)OF5 octahedra, and  an edgeedge with one Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(10), one F(2), one F(5), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(2)OF5 octahedra, corners with three equivalent Mn(3)OF5 octahedra, corners with three equivalent Mn(6)OF5 octahedra,  an edgeedge with one Mn(5)F6 octahedra, and  an edgeedge with one Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the fifth Mn site, Mn(5) is bonded to one F(1), one F(2), one F(3), one F(6), one F(8), and one F(9) atom to form MnF6 octahedra that share corners with two equivalent Mn(6)OF5 octahedra, corners with three equivalent Mn(2)OF5 octahedra, corners with three equivalent Mn(3)OF5 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra, and  an edgeedge with one Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the sixth Mn site, Mn(6) is bonded to one O(2), one F(10), one F(3), one F(5), one F(6), and one F(7) atom to form MnOF5 octahedra that share corners with two equivalent Mn(5)F6 octahedra, corners with three equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(1)OF5 octahedra,  an edgeedge with one Mn(2)OF5 octahedra, and  an edgeedge with one Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are ten 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 trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(3) 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(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Mn(2), 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(3), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the tenth F site, F(10) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.858
_cell_length_b   5.892
_cell_length_c   7.575
_cell_angle_alpha   73.756
_cell_angle_beta   73.480
_cell_angle_gamma   71.895
_symmetry_Int_Tables_number   1
_cell_volume   232.945
_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  0.340  0.348  0.157  1.0
  Mn  Mn1  1  0.661  0.671  0.349  1.0
  Mn  Mn2  1  0.338  0.355  0.675  1.0
  Mn  Mn3  1  0.638  0.665  0.828  1.0
  Mn  Mn4  1  0.000  0.006  0.501  1.0
  Mn  Mn5  1  0.021  0.969  0.994  1.0
  O  O6  1  0.557  0.582  0.636  1.0
  O  O7  1  0.315  0.670  0.999  1.0
  F  F8  1  0.368  0.999  0.318  1.0
  F  F9  1  1.000  0.639  0.678  1.0
  F  F10  1  0.114  0.106  0.702  1.0
  F  F11  1  0.426  0.440  0.367  1.0
  F  F12  1  0.758  0.754  0.030  1.0
  F  F13  1  0.910  0.895  0.293  1.0
  F  F14  1  0.234  0.222  0.973  1.0
  F  F15  1  0.637  0.036  0.667  1.0
  F  F16  1  0.974  0.369  0.328  1.0
  F  F17  1  0.710  0.276  0.005  1.0
[/CIF]
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