The structure described by Mn7F16 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(7), one F(8), and two equivalent F(3) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  a cornercorner with one Mn(3)F7 pentagonal bipyramid,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, edges with three equivalent Mn(2)F7 pentagonal bipyramids, and edges with three equivalent Mn(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the second Mn site, Mn(2) is bonded to one F(1), one F(3), one F(6), one F(7), one F(8), and two equivalent F(4) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(3)F7 pentagonal bipyramid,  an edgeedge with one Mn(2)F7 pentagonal bipyramid, edges with three equivalent Mn(1)F7 pentagonal bipyramids, and edges with three equivalent Mn(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the third Mn site, Mn(3) is bonded to one F(1), one F(3), one F(4), one F(5), one F(8), and two equivalent F(7) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  an edgeedge with one Mn(3)F7 pentagonal bipyramid, edges with three equivalent Mn(1)F7 pentagonal bipyramids, and edges with three equivalent Mn(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the fourth Mn site, Mn(4) is bonded to two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing MnF6 octahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the fourth F site, F(4) is bonded to one Mn(1), one Mn(3), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the seventh F site, F(7) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn7F16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.421
_cell_length_b   9.410
_cell_length_c   6.423
_cell_angle_alpha   70.006
_cell_angle_beta   60.019
_cell_angle_gamma   70.041
_symmetry_Int_Tables_number   1
_cell_volume   308.886
_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  0.890  0.338  0.521  1.0
  Mn  Mn1  1  0.479  0.662  0.747  1.0
  Mn  Mn2  1  0.747  0.662  0.110  1.0
  Mn  Mn3  1  0.253  0.338  0.890  1.0
  Mn  Mn4  1  0.521  0.338  0.253  1.0
  Mn  Mn5  1  0.110  0.662  0.479  1.0
  Mn  Mn6  1  0.000  1.000  0.000  1.0
  F  F7  1  0.763  0.712  0.762  1.0
  F  F8  1  0.984  0.121  0.717  1.0
  F  F9  1  0.854  0.588  0.402  1.0
  F  F10  1  0.598  0.412  0.845  1.0
  F  F11  1  0.822  0.879  0.016  1.0
  F  F12  1  0.283  0.879  0.822  1.0
  F  F13  1  0.845  0.412  0.146  1.0
  F  F14  1  0.425  0.725  0.425  1.0
  F  F15  1  0.575  0.275  0.575  1.0
  F  F16  1  0.155  0.588  0.854  1.0
  F  F17  1  0.717  0.121  0.178  1.0
  F  F18  1  0.178  0.121  0.984  1.0
  F  F19  1  0.402  0.588  0.155  1.0
  F  F20  1  0.146  0.412  0.598  1.0
  F  F21  1  0.016  0.879  0.283  1.0
  F  F22  1  0.237  0.288  0.238  1.0
[/CIF]
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The structure described by Mn7F16 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(7), one F(8), and two equivalent F(3) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  a cornercorner with one Mn(3)F7 pentagonal bipyramid,  an edgeedge with one Mn(1)F7 pentagonal bipyramid, edges with three equivalent Mn(2)F7 pentagonal bipyramids, and edges with three equivalent Mn(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the second Mn site, Mn(2) is bonded to one F(1), one F(3), one F(6), one F(7), one F(8), and two equivalent F(4) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(3)F7 pentagonal bipyramid,  an edgeedge with one Mn(2)F7 pentagonal bipyramid, edges with three equivalent Mn(1)F7 pentagonal bipyramids, and edges with three equivalent Mn(3)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the third Mn site, Mn(3) is bonded to one F(1), one F(3), one F(4), one F(5), one F(8), and two equivalent F(7) atoms to form distorted MnF7 pentagonal bipyramids that share  a cornercorner with one Mn(4)F6 octahedra,  a cornercorner with one Mn(1)F7 pentagonal bipyramid,  a cornercorner with one Mn(2)F7 pentagonal bipyramid,  an edgeedge with one Mn(3)F7 pentagonal bipyramid, edges with three equivalent Mn(1)F7 pentagonal bipyramids, and edges with three equivalent Mn(2)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 31°. In the fourth Mn site, Mn(4) is bonded to two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing MnF6 octahedra. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the fourth F site, F(4) is bonded to one Mn(1), one Mn(3), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(4) atom. In the seventh F site, F(7) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing FMn4 tetrahedra. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn7F16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.421
_cell_length_b   9.410
_cell_length_c   6.423
_cell_angle_alpha   70.006
_cell_angle_beta   60.019
_cell_angle_gamma   70.041
_symmetry_Int_Tables_number   1
_cell_volume   308.886
_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  0.890  0.338  0.521  1.0
  Mn  Mn1  1  0.479  0.662  0.747  1.0
  Mn  Mn2  1  0.747  0.662  0.110  1.0
  Mn  Mn3  1  0.253  0.338  0.890  1.0
  Mn  Mn4  1  0.521  0.338  0.253  1.0
  Mn  Mn5  1  0.110  0.662  0.479  1.0
  Mn  Mn6  1  0.000  1.000  0.000  1.0
  F  F7  1  0.763  0.712  0.762  1.0
  F  F8  1  0.984  0.121  0.717  1.0
  F  F9  1  0.854  0.588  0.402  1.0
  F  F10  1  0.598  0.412  0.845  1.0
  F  F11  1  0.822  0.879  0.016  1.0
  F  F12  1  0.283  0.879  0.822  1.0
  F  F13  1  0.845  0.412  0.146  1.0
  F  F14  1  0.425  0.725  0.425  1.0
  F  F15  1  0.575  0.275  0.575  1.0
  F  F16  1  0.155  0.588  0.854  1.0
  F  F17  1  0.717  0.121  0.178  1.0
  F  F18  1  0.178  0.121  0.984  1.0
  F  F19  1  0.402  0.588  0.155  1.0
  F  F20  1  0.146  0.412  0.598  1.0
  F  F21  1  0.016  0.879  0.283  1.0
  F  F22  1  0.237  0.288  0.238  1.0
[/CIF]
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