The material structure described by Mn8O13F3 crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(3), one O(6), and one F(1) atom. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(4), and one O(7) atom. In the third Mn site, Mn(3) is bonded in a 2-coordinate geometry to one O(1), one O(13), one O(2), one O(3), and one F(3) atom. In the fourth Mn site, Mn(4) is bonded in a distorted linear geometry to one O(12), one O(6), one O(7), one O(8), one O(9), and one F(1) atom. In the fifth Mn site, Mn(5) is bonded in a 2-coordinate geometry to one O(5), one O(8), one O(9), and one F(1) atom. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(2), one O(4), one F(2), and one F(3) atom. In the seventh Mn site, Mn(7) is bonded in a 4-coordinate geometry to one O(6), one O(8), one F(2), and one F(3) atom. In the eighth Mn site, Mn(8) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(5), and one O(9) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Mn(1) and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Mn(2) and one Mn(6) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Mn(5) and one Mn(8) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one Mn(7) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Mn(2) and one Mn(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(7) atom. In the ninth O site, O(9) is bonded in a distorted L-shaped geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Mn(1) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one Mn(8) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Mn(2) and one Mn(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(6), and one Mn(8) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted L-shaped geometry to one Mn(6) and one Mn(7) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(6), and one Mn(7) atom. is represented by the CIF card [CIF]
data_Mn8O13F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.148
_cell_length_b   7.090
_cell_length_c   4.997
_cell_angle_alpha   90.069
_cell_angle_beta   90.145
_cell_angle_gamma   101.682
_symmetry_Int_Tables_number   1
_cell_volume   248.002
_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  0.072  0.711  0.564  1.0
  Mn  Mn1  1  0.427  0.259  0.929  1.0
  Mn  Mn2  1  0.081  0.775  0.062  1.0
  Mn  Mn3  1  0.434  0.263  0.422  1.0
  Mn  Mn4  1  0.583  0.743  0.584  1.0
  Mn  Mn5  1  0.917  0.259  0.923  1.0
  Mn  Mn6  1  0.923  0.226  0.418  1.0
  Mn  Mn7  1  0.571  0.759  0.075  1.0
  O  O8  1  0.173  0.094  0.940  1.0
  O  O9  1  0.061  0.582  0.825  1.0
  O  O10  1  0.063  0.904  0.325  1.0
  O  O11  1  0.667  0.437  0.939  1.0
  O  O12  1  0.562  0.934  0.833  1.0
  O  O13  1  0.174  0.399  0.441  1.0
  O  O14  1  0.437  0.424  0.673  1.0
  O  O15  1  0.666  0.070  0.444  1.0
  O  O16  1  0.561  0.582  0.328  1.0
  O  O17  1  0.834  0.549  0.562  1.0
  O  O18  1  0.327  0.591  0.062  1.0
  O  O19  1  0.439  0.089  0.173  1.0
  O  O20  1  0.828  0.935  0.067  1.0
  F  F21  1  0.314  0.924  0.559  1.0
  F  F22  1  0.941  0.034  0.676  1.0
  F  F23  1  0.945  0.456  0.175  1.0
[/CIF]
.
The material structure described by Mn8O13F3 crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(3), one O(6), and one F(1) atom. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(4), and one O(7) atom. In the third Mn site, Mn(3) is bonded in a 2-coordinate geometry to one O(1), one O(13), one O(2), one O(3), and one F(3) atom. In the fourth Mn site, Mn(4) is bonded in a distorted linear geometry to one O(12), one O(6), one O(7), one O(8), one O(9), and one F(1) atom. In the fifth Mn site, Mn(5) is bonded in a 2-coordinate geometry to one O(5), one O(8), one O(9), and one F(1) atom. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(2), one O(4), one F(2), and one F(3) atom. In the seventh Mn site, Mn(7) is bonded in a 4-coordinate geometry to one O(6), one O(8), one F(2), and one F(3) atom. In the eighth Mn site, Mn(8) is bonded in a 4-coordinate geometry to one O(11), one O(13), one O(5), and one O(9) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted L-shaped geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Mn(1) and one Mn(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one Mn(2) and one Mn(6) atom. In the fifth O site, O(5) is bonded in an L-shaped geometry to one Mn(5) and one Mn(8) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one Mn(7) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Mn(2) and one Mn(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(7) atom. In the ninth O site, O(9) is bonded in a distorted L-shaped geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Mn(1) atom. In the eleventh O site, O(11) is bonded in a 1-coordinate geometry to one Mn(8) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Mn(2) and one Mn(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(6), and one Mn(8) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted L-shaped geometry to one Mn(6) and one Mn(7) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(6), and one Mn(7) atom. is represented by the CIF card [CIF]
data_Mn8O13F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.148
_cell_length_b   7.090
_cell_length_c   4.997
_cell_angle_alpha   90.069
_cell_angle_beta   90.145
_cell_angle_gamma   101.682
_symmetry_Int_Tables_number   1
_cell_volume   248.002
_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  0.072  0.711  0.564  1.0
  Mn  Mn1  1  0.427  0.259  0.929  1.0
  Mn  Mn2  1  0.081  0.775  0.062  1.0
  Mn  Mn3  1  0.434  0.263  0.422  1.0
  Mn  Mn4  1  0.583  0.743  0.584  1.0
  Mn  Mn5  1  0.917  0.259  0.923  1.0
  Mn  Mn6  1  0.923  0.226  0.418  1.0
  Mn  Mn7  1  0.571  0.759  0.075  1.0
  O  O8  1  0.173  0.094  0.940  1.0
  O  O9  1  0.061  0.582  0.825  1.0
  O  O10  1  0.063  0.904  0.325  1.0
  O  O11  1  0.667  0.437  0.939  1.0
  O  O12  1  0.562  0.934  0.833  1.0
  O  O13  1  0.174  0.399  0.441  1.0
  O  O14  1  0.437  0.424  0.673  1.0
  O  O15  1  0.666  0.070  0.444  1.0
  O  O16  1  0.561  0.582  0.328  1.0
  O  O17  1  0.834  0.549  0.562  1.0
  O  O18  1  0.327  0.591  0.062  1.0
  O  O19  1  0.439  0.089  0.173  1.0
  O  O20  1  0.828  0.935  0.067  1.0
  F  F21  1  0.314  0.924  0.559  1.0
  F  F22  1  0.941  0.034  0.676  1.0
  F  F23  1  0.945  0.456  0.175  1.0
[/CIF]
.