The material structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(8), two equivalent O(2), two equivalent O(4), and one F(2) atom to form MgO5F octahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(3)O5 square pyramid, and  an edgeedge with one Mn(6)O5 square pyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent F(2) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent O(10), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the third Mn site, Mn(3) is bonded to one O(6), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with four equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Mn(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 36-58°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(9), two equivalent O(5), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(6)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fifth Mn site, Mn(5) is bonded to one O(10), two equivalent O(6), two equivalent O(7), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, and edges with two equivalent Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the sixth Mn site, Mn(6) is bonded to one O(7), two equivalent O(4), and two equivalent O(9) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with four equivalent Mn(4)O6 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 29-58°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMg2Mn3 trigonal bipyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Mn(4), and two equivalent Mn(6) atoms to form a mixture of distorted corner and edge-sharing OMg2Mn3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(4) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(5) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.130
_cell_length_b   6.778
_cell_length_c   2.964
_cell_angle_alpha   89.991
_cell_angle_beta   90.019
_cell_angle_gamma   108.788
_symmetry_Int_Tables_number   1
_cell_volume   211.671
_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  0.829  0.164  0.493  1.0
  Mn  Mn1  1  0.044  0.016  0.991  1.0
  Mn  Mn2  1  0.341  0.155  0.490  1.0
  Mn  Mn3  1  0.024  0.530  0.489  1.0
  Mn  Mn4  1  0.641  0.334  0.987  1.0
  Mn  Mn5  1  0.327  0.681  0.989  1.0
  Mn  Mn6  1  0.629  0.795  0.485  1.0
  O  O7  1  0.158  0.101  0.491  1.0
  O  O8  1  0.972  0.306  0.990  1.0
  O  O9  1  0.028  0.710  0.989  1.0
  O  O10  1  0.693  0.016  0.987  1.0
  O  O11  1  0.525  0.233  0.487  1.0
  O  O12  1  0.210  0.589  0.489  1.0
  O  O13  1  0.444  0.742  0.488  1.0
  O  O14  1  0.761  0.399  0.488  1.0
  O  O15  1  0.628  0.614  0.986  1.0
  O  O16  1  0.325  0.968  0.990  1.0
  F  F17  1  0.348  0.368  0.991  1.0
  F  F18  1  0.902  0.936  0.491  1.0
[/CIF]
.
The material structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(8), two equivalent O(2), two equivalent O(4), and one F(2) atom to form MgO5F octahedra that share corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(1)O4F2 octahedra, edges with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Mn(3)O5 square pyramid, and  an edgeedge with one Mn(6)O5 square pyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent F(2) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent O(10), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the third Mn site, Mn(3) is bonded to one O(6), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with four equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Mn(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 36-58°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(9), two equivalent O(5), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(6)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fifth Mn site, Mn(5) is bonded to one O(10), two equivalent O(6), two equivalent O(7), and one F(1) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, and edges with two equivalent Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the sixth Mn site, Mn(6) is bonded to one O(7), two equivalent O(4), and two equivalent O(9) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with four equivalent Mn(4)O6 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and edges with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 29-58°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form a mixture of distorted corner and edge-sharing OMg2Mn3 trigonal bipyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Mn(4), and two equivalent Mn(6) atoms to form a mixture of distorted corner and edge-sharing OMg2Mn3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(4) atoms. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(5) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.130
_cell_length_b   6.778
_cell_length_c   2.964
_cell_angle_alpha   89.991
_cell_angle_beta   90.019
_cell_angle_gamma   108.788
_symmetry_Int_Tables_number   1
_cell_volume   211.671
_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  0.829  0.164  0.493  1.0
  Mn  Mn1  1  0.044  0.016  0.991  1.0
  Mn  Mn2  1  0.341  0.155  0.490  1.0
  Mn  Mn3  1  0.024  0.530  0.489  1.0
  Mn  Mn4  1  0.641  0.334  0.987  1.0
  Mn  Mn5  1  0.327  0.681  0.989  1.0
  Mn  Mn6  1  0.629  0.795  0.485  1.0
  O  O7  1  0.158  0.101  0.491  1.0
  O  O8  1  0.972  0.306  0.990  1.0
  O  O9  1  0.028  0.710  0.989  1.0
  O  O10  1  0.693  0.016  0.987  1.0
  O  O11  1  0.525  0.233  0.487  1.0
  O  O12  1  0.210  0.589  0.489  1.0
  O  O13  1  0.444  0.742  0.488  1.0
  O  O14  1  0.761  0.399  0.488  1.0
  O  O15  1  0.628  0.614  0.986  1.0
  O  O16  1  0.325  0.968  0.990  1.0
  F  F17  1  0.348  0.368  0.991  1.0
  F  F18  1  0.902  0.936  0.491  1.0
[/CIF]
.