The compound described by Mn12O7F17 crystallizes in the triclinic P1 space group. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(5), one F(13), one F(16), one F(3), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(12)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(7)O3F3 octahedra, corners with two equivalent Mn(6)OF5 pentagonal pyramids, and edges with two equivalent Mn(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one F(1), one F(13), one F(17), and one F(4) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra, corners with two equivalent Mn(8)OF5 octahedra, and edges with two equivalent Mn(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 39-59°. In the third Mn site, Mn(3) is bonded to one O(7), one F(1), one F(10), one F(12), one F(17), and one F(2) atom to form MnOF5 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent Mn(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-65°. In the fourth Mn site, Mn(4) is bonded in a 8-coordinate geometry to one O(2), one O(6), one F(10), one F(12), one F(15), one F(2), one F(5), and one F(8) atom. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(3), one O(6), one F(14), and one F(15) atom to form distorted MnO3F2 trigonal bipyramids that share  a cornercorner with one Mn(9)O2F4 octahedra, corners with two equivalent Mn(12)O2F4 octahedra,  a cornercorner with one Mn(6)OF5 pentagonal pyramid, and  an edgeedge with one Mn(9)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 8-58°. In the sixth Mn site, Mn(6) is bonded to one O(3), one F(11), one F(16), one F(3), one F(6), and one F(7) atom to form distorted MnOF5 pentagonal pyramids that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(9)O2F4 octahedra, corners with two equivalent Mn(8)OF5 octahedra,  a cornercorner with one Mn(5)O3F2 trigonal bipyramid, and edges with two equivalent Mn(12)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-59°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(4), one O(7), one F(1), one F(4), and one F(9) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra, corners with two equivalent Mn(8)OF5 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. In the eighth Mn site, Mn(8) is bonded to one O(5), one F(13), one F(16), one F(4), one F(6), and one F(9) atom to form distorted MnOF5 octahedra that share corners with two equivalent Mn(12)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(7)O3F3 octahedra, corners with two equivalent Mn(6)OF5 pentagonal pyramids, and edges with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the ninth Mn site, Mn(9) is bonded to one O(2), one O(6), one F(11), one F(14), one F(5), and one F(7) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(6)OF5 pentagonal pyramids,  a cornercorner with one Mn(5)O3F2 trigonal bipyramid,  an edgeedge with one Mn(12)O2F4 octahedra, and  an edgeedge with one Mn(5)O3F2 trigonal bipyramid. In the tenth Mn site, Mn(10) is bonded in a 7-coordinate geometry to one O(2), one O(6), one F(12), one F(15), one F(2), one F(5), and one F(8) atom. In the eleventh Mn site, Mn(11) is bonded in a 6-coordinate geometry to one O(4), one O(7), one F(10), one F(12), one F(17), and one F(8) atom. In the twelfth Mn site, Mn(12) is bonded to one O(3), one O(5), one F(14), one F(3), one F(6), and one F(7) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(8)OF5 octahedra, corners with two equivalent Mn(5)O3F2 trigonal bipyramids,  an edgeedge with one Mn(9)O2F4 octahedra, and edges with two equivalent Mn(6)OF5 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 50-54°. There are seven 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(7) atom. In the second O site, O(2) is bonded to one Mn(10), one Mn(4), one Mn(5), and one Mn(9) atom to form distorted OMn4 tetrahedra that share corners with two equivalent F(12)Mn4 trigonal pyramids and edges with two equivalent O(6)Mn4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(7) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(12), and one Mn(8) atom. In the sixth O site, O(6) is bonded to one Mn(10), one Mn(4), one Mn(5), and one Mn(9) atom to form OMn4 tetrahedra that share edges with two equivalent O(2)Mn4 tetrahedra and  an edgeedge with one F(12)Mn4 trigonal pyramid. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. There are seventeen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(7) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(12), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(9) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(11), and one Mn(4) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the tenth F site, F(10) is bonded in a trigonal non-coplanar geometry to one Mn(11), one Mn(3), and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Mn(6) and one Mn(9) atom. In the twelfth F site, F(12) is bonded to one Mn(10), one Mn(11), one Mn(3), and one Mn(4) atom to form distorted FMn4 trigonal pyramids that share corners with two equivalent O(2)Mn4 tetrahedra and  an edgeedge with one O(6)Mn4 tetrahedra. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(8) atom. In the fourteenth F site, F(14) is bonded in a T-shaped geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the sixteenth F site, F(16) is bonded in a trigonal planar geometry to one Mn(1), one Mn(6), and one Mn(8) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn12O7F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.395
_cell_length_b   5.435
_cell_length_c   15.096
_cell_angle_alpha   84.565
_cell_angle_beta   84.407
_cell_angle_gamma   88.401
_symmetry_Int_Tables_number   1
_cell_volume   438.483
_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  0.013  0.093  0.001  1.0
  Mn  Mn1  1  0.537  0.905  0.163  1.0
  Mn  Mn2  1  0.981  0.104  0.328  1.0
  Mn  Mn3  1  0.523  0.984  0.508  1.0
  Mn  Mn4  1  0.062  0.021  0.663  1.0
  Mn  Mn5  1  0.568  0.955  0.828  1.0
  Mn  Mn6  1  0.986  0.590  0.168  1.0
  Mn  Mn7  1  0.486  0.423  0.996  1.0
  Mn  Mn8  1  0.406  0.489  0.657  1.0
  Mn  Mn9  1  0.036  0.519  0.510  1.0
  Mn  Mn10  1  0.442  0.458  0.326  1.0
  Mn  Mn11  1  0.038  0.576  0.839  1.0
  O  O12  1  0.844  0.846  0.085  1.0
  O  O13  1  0.222  0.754  0.599  1.0
  O  O14  1  0.892  0.821  0.758  1.0
  O  O15  1  0.671  0.641  0.234  1.0
  O  O16  1  0.181  0.358  0.929  1.0
  O  O17  1  0.288  0.251  0.586  1.0
  O  O18  1  0.130  0.373  0.258  1.0
  F  F19  1  0.210  0.874  0.244  1.0
  F  F20  1  0.872  0.826  0.413  1.0
  F  F21  1  0.204  0.866  0.917  1.0
  F  F22  1  0.316  0.620  0.099  1.0
  F  F23  1  0.706  0.659  0.580  1.0
  F  F24  1  0.716  0.652  0.913  1.0
  F  F25  1  0.377  0.688  0.766  1.0
  F  F26  1  0.360  0.703  0.425  1.0
  F  F27  1  0.821  0.338  0.074  1.0
  F  F28  1  0.702  0.290  0.409  1.0
  F  F29  1  0.575  0.242  0.731  1.0
  F  F30  1  0.208  0.216  0.416  1.0
  F  F31  1  0.341  0.112  0.078  1.0
  F  F32  1  0.076  0.306  0.749  1.0
  F  F33  1  0.820  0.160  0.572  1.0
  F  F34  1  0.709  0.156  0.922  1.0
  F  F35  1  0.682  0.130  0.254  1.0
[/CIF]
.
The compound described by Mn12O7F17 crystallizes in the triclinic P1 space group. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(5), one F(13), one F(16), one F(3), and one F(9) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(12)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(7)O3F3 octahedra, corners with two equivalent Mn(6)OF5 pentagonal pyramids, and edges with two equivalent Mn(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one F(1), one F(13), one F(17), and one F(4) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra, corners with two equivalent Mn(8)OF5 octahedra, and edges with two equivalent Mn(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 39-59°. In the third Mn site, Mn(3) is bonded to one O(7), one F(1), one F(10), one F(12), one F(17), and one F(2) atom to form MnOF5 octahedra that share corners with two equivalent Mn(2)O2F4 octahedra and corners with two equivalent Mn(7)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-65°. In the fourth Mn site, Mn(4) is bonded in a 8-coordinate geometry to one O(2), one O(6), one F(10), one F(12), one F(15), one F(2), one F(5), and one F(8) atom. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(3), one O(6), one F(14), and one F(15) atom to form distorted MnO3F2 trigonal bipyramids that share  a cornercorner with one Mn(9)O2F4 octahedra, corners with two equivalent Mn(12)O2F4 octahedra,  a cornercorner with one Mn(6)OF5 pentagonal pyramid, and  an edgeedge with one Mn(9)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 8-58°. In the sixth Mn site, Mn(6) is bonded to one O(3), one F(11), one F(16), one F(3), one F(6), and one F(7) atom to form distorted MnOF5 pentagonal pyramids that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(9)O2F4 octahedra, corners with two equivalent Mn(8)OF5 octahedra,  a cornercorner with one Mn(5)O3F2 trigonal bipyramid, and edges with two equivalent Mn(12)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-59°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(4), one O(7), one F(1), one F(4), and one F(9) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)OF5 octahedra, corners with two equivalent Mn(8)OF5 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. In the eighth Mn site, Mn(8) is bonded to one O(5), one F(13), one F(16), one F(4), one F(6), and one F(9) atom to form distorted MnOF5 octahedra that share corners with two equivalent Mn(12)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(7)O3F3 octahedra, corners with two equivalent Mn(6)OF5 pentagonal pyramids, and edges with two equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the ninth Mn site, Mn(9) is bonded to one O(2), one O(6), one F(11), one F(14), one F(5), and one F(7) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(6)OF5 pentagonal pyramids,  a cornercorner with one Mn(5)O3F2 trigonal bipyramid,  an edgeedge with one Mn(12)O2F4 octahedra, and  an edgeedge with one Mn(5)O3F2 trigonal bipyramid. In the tenth Mn site, Mn(10) is bonded in a 7-coordinate geometry to one O(2), one O(6), one F(12), one F(15), one F(2), one F(5), and one F(8) atom. In the eleventh Mn site, Mn(11) is bonded in a 6-coordinate geometry to one O(4), one O(7), one F(10), one F(12), one F(17), and one F(8) atom. In the twelfth Mn site, Mn(12) is bonded to one O(3), one O(5), one F(14), one F(3), one F(6), and one F(7) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(8)OF5 octahedra, corners with two equivalent Mn(5)O3F2 trigonal bipyramids,  an edgeedge with one Mn(9)O2F4 octahedra, and edges with two equivalent Mn(6)OF5 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 50-54°. There are seven 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(7) atom. In the second O site, O(2) is bonded to one Mn(10), one Mn(4), one Mn(5), and one Mn(9) atom to form distorted OMn4 tetrahedra that share corners with two equivalent F(12)Mn4 trigonal pyramids and edges with two equivalent O(6)Mn4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(12), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(7) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(12), and one Mn(8) atom. In the sixth O site, O(6) is bonded to one Mn(10), one Mn(4), one Mn(5), and one Mn(9) atom to form OMn4 tetrahedra that share edges with two equivalent O(2)Mn4 tetrahedra and  an edgeedge with one F(12)Mn4 trigonal pyramid. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(11), one Mn(3), and one Mn(7) atom. There are seventeen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one Mn(7) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(12), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(4), and one Mn(9) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mn(12), one Mn(6), and one Mn(9) atom. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(11), and one Mn(4) atom. In the ninth F site, F(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the tenth F site, F(10) is bonded in a trigonal non-coplanar geometry to one Mn(11), one Mn(3), and one Mn(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Mn(6) and one Mn(9) atom. In the twelfth F site, F(12) is bonded to one Mn(10), one Mn(11), one Mn(3), and one Mn(4) atom to form distorted FMn4 trigonal pyramids that share corners with two equivalent O(2)Mn4 tetrahedra and  an edgeedge with one O(6)Mn4 tetrahedra. In the thirteenth F site, F(13) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(8) atom. In the fourteenth F site, F(14) is bonded in a T-shaped geometry to one Mn(12), one Mn(5), and one Mn(9) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Mn(10), one Mn(4), and one Mn(5) atom. In the sixteenth F site, F(16) is bonded in a trigonal planar geometry to one Mn(1), one Mn(6), and one Mn(8) atom. In the seventeenth F site, F(17) is bonded in a distorted trigonal planar geometry to one Mn(11), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn12O7F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.395
_cell_length_b   5.435
_cell_length_c   15.096
_cell_angle_alpha   84.565
_cell_angle_beta   84.407
_cell_angle_gamma   88.401
_symmetry_Int_Tables_number   1
_cell_volume   438.483
_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  0.013  0.093  0.001  1.0
  Mn  Mn1  1  0.537  0.905  0.163  1.0
  Mn  Mn2  1  0.981  0.104  0.328  1.0
  Mn  Mn3  1  0.523  0.984  0.508  1.0
  Mn  Mn4  1  0.062  0.021  0.663  1.0
  Mn  Mn5  1  0.568  0.955  0.828  1.0
  Mn  Mn6  1  0.986  0.590  0.168  1.0
  Mn  Mn7  1  0.486  0.423  0.996  1.0
  Mn  Mn8  1  0.406  0.489  0.657  1.0
  Mn  Mn9  1  0.036  0.519  0.510  1.0
  Mn  Mn10  1  0.442  0.458  0.326  1.0
  Mn  Mn11  1  0.038  0.576  0.839  1.0
  O  O12  1  0.844  0.846  0.085  1.0
  O  O13  1  0.222  0.754  0.599  1.0
  O  O14  1  0.892  0.821  0.758  1.0
  O  O15  1  0.671  0.641  0.234  1.0
  O  O16  1  0.181  0.358  0.929  1.0
  O  O17  1  0.288  0.251  0.586  1.0
  O  O18  1  0.130  0.373  0.258  1.0
  F  F19  1  0.210  0.874  0.244  1.0
  F  F20  1  0.872  0.826  0.413  1.0
  F  F21  1  0.204  0.866  0.917  1.0
  F  F22  1  0.316  0.620  0.099  1.0
  F  F23  1  0.706  0.659  0.580  1.0
  F  F24  1  0.716  0.652  0.913  1.0
  F  F25  1  0.377  0.688  0.766  1.0
  F  F26  1  0.360  0.703  0.425  1.0
  F  F27  1  0.821  0.338  0.074  1.0
  F  F28  1  0.702  0.290  0.409  1.0
  F  F29  1  0.575  0.242  0.731  1.0
  F  F30  1  0.208  0.216  0.416  1.0
  F  F31  1  0.341  0.112  0.078  1.0
  F  F32  1  0.076  0.306  0.749  1.0
  F  F33  1  0.820  0.160  0.572  1.0
  F  F34  1  0.709  0.156  0.922  1.0
  F  F35  1  0.682  0.130  0.254  1.0
[/CIF]
.