The material structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(5), one O(6), one O(9), one F(1), and one F(2) atom to form MgO4F2 octahedra that share  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Mn(5)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra,  a cornercorner with one Mn(3)O5 square pyramid, edges with two equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(3)O5 square pyramid,  a faceface with one Mn(4)O4F2 octahedra, and  a faceface with one Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-48°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), one O(6), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(5)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(4)O4F2 octahedra, edges with two equivalent Mg(1)O4F2 octahedra, and  an edgeedge with one Mn(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 33-60°. In the third Mn site, Mn(3) is bonded to one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with three equivalent Mn(5)O5F octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-81°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(4), one O(6), one F(1), and one F(2) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with four equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O5 square pyramid,  an edgeedge with one Mn(5)O5F octahedra,  an edgeedge with one Mn(6)O5F octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(7), one O(9), and one F(2) atom to form distorted MnO5F octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(3)O5 square pyramids,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(6)O5F octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 33-48°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(2), one O(3), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O5 square pyramids,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-51°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Mn(4) and one Mn(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   7.509
_cell_length_c   5.750
_cell_angle_alpha   97.602
_cell_angle_beta   99.046
_cell_angle_gamma   84.919
_symmetry_Int_Tables_number   1
_cell_volume   217.094
_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  0.983  0.492  0.975  1.0
  Mn  Mn1  1  0.525  0.018  0.490  1.0
  Mn  Mn2  1  0.502  0.682  0.168  1.0
  Mn  Mn3  1  0.470  0.317  0.867  1.0
  Mn  Mn4  1  0.025  0.694  0.632  1.0
  Mn  Mn5  1  0.993  0.317  0.367  1.0
  Mn  Mn6  1  0.001  0.012  0.010  1.0
  O  O7  1  0.871  0.456  0.623  1.0
  O  O8  1  0.834  0.106  0.300  1.0
  O  O9  1  0.679  0.095  0.818  1.0
  O  O10  1  0.693  0.780  0.465  1.0
  O  O11  1  0.695  0.439  0.139  1.0
  O  O12  1  0.305  0.570  0.874  1.0
  O  O13  1  0.321  0.246  0.542  1.0
  O  O14  1  0.296  0.907  0.218  1.0
  O  O15  1  0.144  0.240  0.061  1.0
  O  O16  1  0.154  0.918  0.741  1.0
  F  F17  1  0.838  0.762  0.985  1.0
  F  F18  1  0.170  0.558  0.320  1.0
[/CIF]
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The material structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(5), one O(6), one O(9), one F(1), and one F(2) atom to form MgO4F2 octahedra that share  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Mn(5)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra,  a cornercorner with one Mn(3)O5 square pyramid, edges with two equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(3)O5 square pyramid,  a faceface with one Mn(4)O4F2 octahedra, and  a faceface with one Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-48°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), one O(6), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(5)O5F octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(4)O4F2 octahedra, edges with two equivalent Mg(1)O4F2 octahedra, and  an edgeedge with one Mn(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 33-60°. In the third Mn site, Mn(3) is bonded to one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mn(4)O4F2 octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with three equivalent Mn(5)O5F octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-81°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(4), one O(6), one F(1), and one F(2) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with four equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Mn(3)O5 square pyramid,  an edgeedge with one Mn(5)O5F octahedra,  an edgeedge with one Mn(6)O5F octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(7), one O(9), and one F(2) atom to form distorted MnO5F octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(3)O5 square pyramids,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(6)O5F octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 33-48°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(2), one O(3), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O5 square pyramids,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 44-51°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Mn(4) and one Mn(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   7.509
_cell_length_c   5.750
_cell_angle_alpha   97.602
_cell_angle_beta   99.046
_cell_angle_gamma   84.919
_symmetry_Int_Tables_number   1
_cell_volume   217.094
_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  0.983  0.492  0.975  1.0
  Mn  Mn1  1  0.525  0.018  0.490  1.0
  Mn  Mn2  1  0.502  0.682  0.168  1.0
  Mn  Mn3  1  0.470  0.317  0.867  1.0
  Mn  Mn4  1  0.025  0.694  0.632  1.0
  Mn  Mn5  1  0.993  0.317  0.367  1.0
  Mn  Mn6  1  0.001  0.012  0.010  1.0
  O  O7  1  0.871  0.456  0.623  1.0
  O  O8  1  0.834  0.106  0.300  1.0
  O  O9  1  0.679  0.095  0.818  1.0
  O  O10  1  0.693  0.780  0.465  1.0
  O  O11  1  0.695  0.439  0.139  1.0
  O  O12  1  0.305  0.570  0.874  1.0
  O  O13  1  0.321  0.246  0.542  1.0
  O  O14  1  0.296  0.907  0.218  1.0
  O  O15  1  0.144  0.240  0.061  1.0
  O  O16  1  0.154  0.918  0.741  1.0
  F  F17  1  0.838  0.762  0.985  1.0
  F  F18  1  0.170  0.558  0.320  1.0
[/CIF]
.