The material structure described by Mn3O5F is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), two equivalent O(3), and one F(1) atom to form a mixture of corner and edge-sharing MnO5F octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(1), two equivalent O(3), and one F(1) atom to form a mixture of corner and edge-sharing MnO5F octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. F(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.555
_cell_length_b   4.557
_cell_length_c   9.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.411
_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  0.010  0.746  0.674  1.0
  Mn  Mn1  1  0.980  0.730  0.000  1.0
  Mn  Mn2  1  0.010  0.746  0.326  1.0
  Mn  Mn3  1  0.480  0.270  0.500  1.0
  Mn  Mn4  1  0.510  0.254  0.826  1.0
  Mn  Mn5  1  0.510  0.254  0.174  1.0
  O  O6  1  0.196  0.554  0.836  1.0
  O  O7  1  0.196  0.554  0.164  1.0
  O  O8  1  0.189  0.562  0.500  1.0
  O  O9  1  0.696  0.446  0.664  1.0
  O  O10  1  0.689  0.438  0.000  1.0
  O  O11  1  0.696  0.446  0.336  1.0
  O  O12  1  0.308  0.059  0.665  1.0
  O  O13  1  0.308  0.059  0.335  1.0
  O  O14  1  0.808  0.941  0.835  1.0
  O  O15  1  0.808  0.941  0.165  1.0
  F  F16  1  0.301  0.050  0.000  1.0
  F  F17  1  0.801  0.950  0.500  1.0
[/CIF]
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The material structure described by Mn3O5F is Hydrophilite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), two equivalent O(3), and one F(1) atom to form a mixture of corner and edge-sharing MnO5F octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(1), two equivalent O(3), and one F(1) atom to form a mixture of corner and edge-sharing MnO5F octahedra. The corner-sharing octahedral tilt angles range from 47-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. F(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.555
_cell_length_b   4.557
_cell_length_c   9.029
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.411
_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  0.010  0.746  0.674  1.0
  Mn  Mn1  1  0.980  0.730  0.000  1.0
  Mn  Mn2  1  0.010  0.746  0.326  1.0
  Mn  Mn3  1  0.480  0.270  0.500  1.0
  Mn  Mn4  1  0.510  0.254  0.826  1.0
  Mn  Mn5  1  0.510  0.254  0.174  1.0
  O  O6  1  0.196  0.554  0.836  1.0
  O  O7  1  0.196  0.554  0.164  1.0
  O  O8  1  0.189  0.562  0.500  1.0
  O  O9  1  0.696  0.446  0.664  1.0
  O  O10  1  0.689  0.438  0.000  1.0
  O  O11  1  0.696  0.446  0.336  1.0
  O  O12  1  0.308  0.059  0.665  1.0
  O  O13  1  0.308  0.059  0.335  1.0
  O  O14  1  0.808  0.941  0.835  1.0
  O  O15  1  0.808  0.941  0.165  1.0
  F  F16  1  0.301  0.050  0.000  1.0
  F  F17  1  0.801  0.950  0.500  1.0
[/CIF]
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