The crystal structure described by Mn8O13F3 is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Mn site, Mn(3) is bonded to one O(9), two equivalent O(1), two equivalent O(2), and one F(3) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(6), one O(7), one O(8), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the sixth Mn site, Mn(6) is bonded to one O(5), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(5) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(5) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(3) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn8O13F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.974
_cell_length_b   4.527
_cell_length_c   9.350
_cell_angle_alpha   85.876
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.171
_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  0.000  0.003  0.001  1.0
  Mn  Mn1  1  0.751  0.539  0.264  1.0
  Mn  Mn2  1  0.500  0.970  0.987  1.0
  Mn  Mn3  1  0.000  0.010  0.505  1.0
  Mn  Mn4  1  0.743  0.473  0.740  1.0
  Mn  Mn5  1  0.249  0.539  0.264  1.0
  Mn  Mn6  1  0.500  0.003  0.501  1.0
  Mn  Mn7  1  0.257  0.473  0.740  1.0
  O  O8  1  0.751  0.784  0.090  1.0
  O  O9  1  0.748  0.206  0.908  1.0
  O  O10  1  0.000  0.741  0.340  1.0
  O  O11  1  0.252  0.206  0.908  1.0
  O  O12  1  0.751  0.224  0.416  1.0
  O  O13  1  0.500  0.737  0.343  1.0
  O  O14  1  0.249  0.784  0.090  1.0
  O  O15  1  0.750  0.779  0.583  1.0
  O  O16  1  0.000  0.268  0.661  1.0
  O  O17  1  0.250  0.779  0.583  1.0
  O  O18  1  0.500  0.272  0.661  1.0
  O  O19  1  0.249  0.224  0.416  1.0
  O  O20  1  0.500  0.675  0.823  1.0
  F  F21  1  0.000  0.308  0.172  1.0
  F  F22  1  0.000  0.685  0.828  1.0
  F  F23  1  0.500  0.317  0.176  1.0
[/CIF]
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The crystal structure described by Mn8O13F3 is Hydrophilite-derived structured and crystallizes in the monoclinic Pm space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Mn site, Mn(3) is bonded to one O(9), two equivalent O(1), two equivalent O(2), and one F(3) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(7), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(6), one O(7), one O(8), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the sixth Mn site, Mn(6) is bonded to one O(5), one O(8), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(2) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(5) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(5) atoms. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(3) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_Mn8O13F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.974
_cell_length_b   4.527
_cell_length_c   9.350
_cell_angle_alpha   85.876
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   252.171
_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  0.000  0.003  0.001  1.0
  Mn  Mn1  1  0.751  0.539  0.264  1.0
  Mn  Mn2  1  0.500  0.970  0.987  1.0
  Mn  Mn3  1  0.000  0.010  0.505  1.0
  Mn  Mn4  1  0.743  0.473  0.740  1.0
  Mn  Mn5  1  0.249  0.539  0.264  1.0
  Mn  Mn6  1  0.500  0.003  0.501  1.0
  Mn  Mn7  1  0.257  0.473  0.740  1.0
  O  O8  1  0.751  0.784  0.090  1.0
  O  O9  1  0.748  0.206  0.908  1.0
  O  O10  1  0.000  0.741  0.340  1.0
  O  O11  1  0.252  0.206  0.908  1.0
  O  O12  1  0.751  0.224  0.416  1.0
  O  O13  1  0.500  0.737  0.343  1.0
  O  O14  1  0.249  0.784  0.090  1.0
  O  O15  1  0.750  0.779  0.583  1.0
  O  O16  1  0.000  0.268  0.661  1.0
  O  O17  1  0.250  0.779  0.583  1.0
  O  O18  1  0.500  0.272  0.661  1.0
  O  O19  1  0.249  0.224  0.416  1.0
  O  O20  1  0.500  0.675  0.823  1.0
  F  F21  1  0.000  0.308  0.172  1.0
  F  F22  1  0.000  0.685  0.828  1.0
  F  F23  1  0.500  0.317  0.176  1.0
[/CIF]
.