The crystal structure described by MnOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), one F(4), and two equivalent F(3) atoms to form MnO3F3 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, and edges with two equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent F(4) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(1)O3F3 octahedra and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(3), two equivalent O(4), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O3F3 octahedra, and edges with two equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fifth Mn site, Mn(5) is bonded to four equivalent O(2) and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(3) 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(5) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.075
_cell_length_b   4.797
_cell_length_c   18.977
_cell_angle_alpha   84.481
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.660
_cell_formula_units_Z   8
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  0.000  0.091  0.876  1.0
  Mn  Mn1  1  0.000  0.909  0.124  1.0
  Mn  Mn2  1  0.000  0.977  0.376  1.0
  Mn  Mn3  1  0.000  0.023  0.624  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.448  0.251  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.552  0.749  1.0
  O  O8  1  0.500  0.757  0.077  1.0
  O  O9  1  0.000  0.687  0.451  1.0
  O  O10  1  0.000  0.638  0.202  1.0
  O  O11  1  0.000  0.732  0.699  1.0
  O  O12  1  0.000  0.268  0.301  1.0
  O  O13  1  0.000  0.313  0.549  1.0
  O  O14  1  0.000  0.362  0.798  1.0
  O  O15  1  0.500  0.243  0.923  1.0
  F  F16  1  0.500  0.787  0.328  1.0
  F  F17  1  0.500  0.828  0.578  1.0
  F  F18  1  0.500  0.877  0.832  1.0
  F  F19  1  0.000  0.739  0.950  1.0
  F  F20  1  0.000  0.261  0.050  1.0
  F  F21  1  0.500  0.123  0.168  1.0
  F  F22  1  0.500  0.172  0.422  1.0
  F  F23  1  0.500  0.213  0.672  1.0
[/CIF]
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The crystal structure described by MnOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2/m space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), one F(4), and two equivalent F(3) atoms to form MnO3F3 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, and edges with two equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent F(1), and two equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent F(4) atoms to form MnO2F4 octahedra that share corners with eight equivalent Mn(1)O3F3 octahedra and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(3), two equivalent O(4), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(1)O3F3 octahedra, and edges with two equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fifth Mn site, Mn(5) is bonded to four equivalent O(2) and two equivalent F(2) atoms to form MnO4F2 octahedra that share corners with eight equivalent Mn(2)O2F4 octahedra and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(3) 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(5) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.075
_cell_length_b   4.797
_cell_length_c   18.977
_cell_angle_alpha   84.481
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   278.660
_cell_formula_units_Z   8
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  0.000  0.091  0.876  1.0
  Mn  Mn1  1  0.000  0.909  0.124  1.0
  Mn  Mn2  1  0.000  0.977  0.376  1.0
  Mn  Mn3  1  0.000  0.023  0.624  1.0
  Mn  Mn4  1  0.500  0.500  0.000  1.0
  Mn  Mn5  1  0.500  0.448  0.251  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.552  0.749  1.0
  O  O8  1  0.500  0.757  0.077  1.0
  O  O9  1  0.000  0.687  0.451  1.0
  O  O10  1  0.000  0.638  0.202  1.0
  O  O11  1  0.000  0.732  0.699  1.0
  O  O12  1  0.000  0.268  0.301  1.0
  O  O13  1  0.000  0.313  0.549  1.0
  O  O14  1  0.000  0.362  0.798  1.0
  O  O15  1  0.500  0.243  0.923  1.0
  F  F16  1  0.500  0.787  0.328  1.0
  F  F17  1  0.500  0.828  0.578  1.0
  F  F18  1  0.500  0.877  0.832  1.0
  F  F19  1  0.000  0.739  0.950  1.0
  F  F20  1  0.000  0.261  0.050  1.0
  F  F21  1  0.500  0.123  0.168  1.0
  F  F22  1  0.500  0.172  0.422  1.0
  F  F23  1  0.500  0.213  0.672  1.0
[/CIF]
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