The compound described by MgMn8O13F3 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(11), one O(3), one O(7), one O(8), and one F(3) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(7), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra,  a cornercorner with one Mn(6)O5 square pyramid, corners with two equivalent Mn(3)O4F trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 33-60°. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(4), one O(5), one F(1), and one F(2) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with two equivalent Mn(6)O5 square pyramids, corners with two equivalent Mn(3)O4F trigonal bipyramids,  an edgeedge with one Mn(1)O5F octahedra, and  an edgeedge with one Mn(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(13), one O(7), and one F(2) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mn(5)O5F octahedra,  a cornercorner with one Mn(7)O5F octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(8)O5F octahedra, and  an edgeedge with one Mn(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 40-77°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(5), one O(6), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(7)O5F octahedra, corners with two equivalent Mn(8)O5F octahedra,  an edgeedge with one Mn(5)O5F octahedra, and  an edgeedge with one Mn(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 33-58°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(4), one O(6), one O(8), and one F(3) atom to form MnO5F octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(7)O5F octahedra, corners with two equivalent Mn(8)O5F octahedra,  a cornercorner with one Mn(3)O4F trigonal bipyramid, and  an edgeedge with one Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(5), one O(7), and one O(9) atom to form MnO5 square pyramids that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(7)O5F octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(8)O5F octahedra,  an edgeedge with one Mn(4)O5F octahedra, and  an edgeedge with one Mn(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-56°. In the seventh Mn site, Mn(7) is bonded to one O(11), one O(12), one O(13), one O(3), one O(8), and one F(3) atom to form MnO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Mn(3)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O5F octahedra, and  an edgeedge with one Mn(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the eighth Mn site, Mn(8) is bonded to one O(12), one O(13), one O(4), one O(6), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with two equivalent Mn(6)O5 square pyramids, corners with two equivalent Mn(3)O4F trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form corner-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(4), one Mn(5), and one Mn(7) atom to form corner-sharing OMgMn3 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(6), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(6), one Mn(7), and one Mn(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(7), and one Mn(8) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(8) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(5), and one Mn(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn8O13F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.770
_cell_length_b   5.622
_cell_length_c   7.221
_cell_angle_alpha   83.430
_cell_angle_beta   93.854
_cell_angle_gamma   89.908
_symmetry_Int_Tables_number   1
_cell_volume   272.389
_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
  Mg  Mg0  1  0.563  0.984  0.983  1.0
  Mn  Mn1  1  0.362  0.370  0.126  1.0
  Mn  Mn2  1  0.136  0.693  0.385  1.0
  Mn  Mn3  1  0.908  0.189  0.148  1.0
  Mn  Mn4  1  0.377  0.131  0.622  1.0
  Mn  Mn5  1  0.116  0.837  0.877  1.0
  Mn  Mn6  1  0.648  0.885  0.411  1.0
  Mn  Mn7  1  0.608  0.575  0.842  1.0
  Mn  Mn8  1  0.888  0.350  0.639  1.0
  O  O9  1  0.167  0.119  0.086  1.0
  O  O10  1  0.158  0.618  0.108  1.0
  O  O11  1  0.560  0.611  0.093  1.0
  O  O12  1  0.076  0.608  0.646  1.0
  O  O13  1  0.365  0.914  0.433  1.0
  O  O14  1  0.094  0.103  0.677  1.0
  O  O15  1  0.615  0.142  0.201  1.0
  O  O16  1  0.399  0.838  0.798  1.0
  O  O17  1  0.663  0.121  0.594  1.0
  O  O18  1  0.911  0.899  0.325  1.0
  O  O19  1  0.435  0.311  0.843  1.0
  O  O20  1  0.677  0.595  0.590  1.0
  O  O21  1  0.826  0.353  0.895  1.0
  F  F22  1  0.333  0.406  0.423  1.0
  F  F23  1  0.931  0.394  0.370  1.0
  F  F24  1  0.813  0.848  0.906  1.0
[/CIF]
.
The compound described by MgMn8O13F3 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(11), one O(3), one O(7), one O(8), and one F(3) atom. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(7), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra,  a cornercorner with one Mn(6)O5 square pyramid, corners with two equivalent Mn(3)O4F trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 33-60°. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(4), one O(5), one F(1), and one F(2) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with two equivalent Mn(6)O5 square pyramids, corners with two equivalent Mn(3)O4F trigonal bipyramids,  an edgeedge with one Mn(1)O5F octahedra, and  an edgeedge with one Mn(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(13), one O(7), and one F(2) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mn(5)O5F octahedra,  a cornercorner with one Mn(7)O5F octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(8)O5F octahedra, and  an edgeedge with one Mn(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 40-77°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(5), one O(6), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(7)O5F octahedra, corners with two equivalent Mn(8)O5F octahedra,  an edgeedge with one Mn(5)O5F octahedra, and  an edgeedge with one Mn(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 33-58°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(4), one O(6), one O(8), and one F(3) atom to form MnO5F octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with two equivalent Mn(7)O5F octahedra, corners with two equivalent Mn(8)O5F octahedra,  a cornercorner with one Mn(3)O4F trigonal bipyramid, and  an edgeedge with one Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(5), one O(7), and one O(9) atom to form MnO5 square pyramids that share  a cornercorner with one Mn(1)O5F octahedra,  a cornercorner with one Mn(7)O5F octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(8)O5F octahedra,  an edgeedge with one Mn(4)O5F octahedra, and  an edgeedge with one Mn(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-56°. In the seventh Mn site, Mn(7) is bonded to one O(11), one O(12), one O(13), one O(3), one O(8), and one F(3) atom to form MnO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Mn(3)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O5F octahedra, and  an edgeedge with one Mn(8)O5F octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the eighth Mn site, Mn(8) is bonded to one O(12), one O(13), one O(4), one O(6), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with two equivalent Mn(6)O5 square pyramids, corners with two equivalent Mn(3)O4F trigonal bipyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(7)O5F octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(7) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(8) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form corner-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(4), one Mn(5), and one Mn(7) atom to form corner-sharing OMgMn3 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(6), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(6), one Mn(7), and one Mn(8) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(7), and one Mn(8) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(8) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(5), and one Mn(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn8O13F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.770
_cell_length_b   5.622
_cell_length_c   7.221
_cell_angle_alpha   83.430
_cell_angle_beta   93.854
_cell_angle_gamma   89.908
_symmetry_Int_Tables_number   1
_cell_volume   272.389
_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
  Mg  Mg0  1  0.563  0.984  0.983  1.0
  Mn  Mn1  1  0.362  0.370  0.126  1.0
  Mn  Mn2  1  0.136  0.693  0.385  1.0
  Mn  Mn3  1  0.908  0.189  0.148  1.0
  Mn  Mn4  1  0.377  0.131  0.622  1.0
  Mn  Mn5  1  0.116  0.837  0.877  1.0
  Mn  Mn6  1  0.648  0.885  0.411  1.0
  Mn  Mn7  1  0.608  0.575  0.842  1.0
  Mn  Mn8  1  0.888  0.350  0.639  1.0
  O  O9  1  0.167  0.119  0.086  1.0
  O  O10  1  0.158  0.618  0.108  1.0
  O  O11  1  0.560  0.611  0.093  1.0
  O  O12  1  0.076  0.608  0.646  1.0
  O  O13  1  0.365  0.914  0.433  1.0
  O  O14  1  0.094  0.103  0.677  1.0
  O  O15  1  0.615  0.142  0.201  1.0
  O  O16  1  0.399  0.838  0.798  1.0
  O  O17  1  0.663  0.121  0.594  1.0
  O  O18  1  0.911  0.899  0.325  1.0
  O  O19  1  0.435  0.311  0.843  1.0
  O  O20  1  0.677  0.595  0.590  1.0
  O  O21  1  0.826  0.353  0.895  1.0
  F  F22  1  0.333  0.406  0.423  1.0
  F  F23  1  0.931  0.394  0.370  1.0
  F  F24  1  0.813  0.848  0.906  1.0
[/CIF]
.