The material described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(4), one O(5), one O(7), one O(8), and one F(1) atom to form distorted MgO5F octahedra that share corners with two equivalent Mn(5)O5 square pyramids, edges with two equivalent Mn(3)O4F2 octahedra, edges with two equivalent Mn(2)O5F octahedra,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  a faceface with one Mn(6)O5 trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with three equivalent Mn(5)O5 square pyramids,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(2)O5F octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(4), one O(7), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(5)O5 square pyramids, corners with three equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(3)O4F2 octahedra,  an edgeedge with one Mn(1)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. In the third Mn site, Mn(3) is bonded to one O(10), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(8), and one F(2) atom. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with three equivalent Mn(1)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-60°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share corners with three equivalent Mn(3)O4F2 octahedra, corners with three equivalent Mn(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(5)O5 square pyramid, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(1) and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), 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(1), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted L-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. is represented by the CIF file [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.969
_cell_length_b   5.017
_cell_length_c   8.758
_cell_angle_alpha   90.003
_cell_angle_beta   90.068
_cell_angle_gamma   99.750
_symmetry_Int_Tables_number   1
_cell_volume   215.192
_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  0.490  0.967  0.498  1.0
  Mn  Mn1  1  0.995  0.000  0.009  1.0
  Mn  Mn2  1  0.993  0.013  0.324  1.0
  Mn  Mn3  1  0.997  0.012  0.681  1.0
  Mn  Mn4  1  0.461  0.528  0.838  1.0
  Mn  Mn5  1  0.530  0.475  0.168  1.0
  Mn  Mn6  1  0.570  0.470  0.506  1.0
  O  O7  1  0.128  0.822  0.168  1.0
  O  O8  1  0.131  0.819  0.841  1.0
  O  O9  1  0.329  0.286  0.002  1.0
  O  O10  1  0.364  0.245  0.345  1.0
  O  O11  1  0.363  0.256  0.663  1.0
  O  O12  1  0.650  0.733  0.008  1.0
  O  O13  1  0.658  0.731  0.342  1.0
  O  O14  1  0.642  0.742  0.665  1.0
  O  O15  1  0.855  0.203  0.174  1.0
  O  O16  1  0.856  0.191  0.503  1.0
  F  F17  1  0.130  0.769  0.489  1.0
  F  F18  1  0.843  0.224  0.855  1.0
[/CIF]
.
The material described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(4), one O(5), one O(7), one O(8), and one F(1) atom to form distorted MgO5F octahedra that share corners with two equivalent Mn(5)O5 square pyramids, edges with two equivalent Mn(3)O4F2 octahedra, edges with two equivalent Mn(2)O5F octahedra,  an edgeedge with one Mn(6)O5 trigonal bipyramid, and  a faceface with one Mn(6)O5 trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with three equivalent Mn(5)O5 square pyramids,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(2)O5F octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(4), one O(7), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(5)O5 square pyramids, corners with three equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(3)O4F2 octahedra,  an edgeedge with one Mn(1)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. In the third Mn site, Mn(3) is bonded to one O(10), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(6)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one O(8), and one F(2) atom. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form distorted MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with three equivalent Mn(1)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra, and  an edgeedge with one Mn(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-60°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(4), one O(5), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share corners with three equivalent Mn(3)O4F2 octahedra, corners with three equivalent Mn(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(5)O5 square pyramid, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(1) and one Mn(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), 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(1), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted L-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. is represented by the CIF file [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.969
_cell_length_b   5.017
_cell_length_c   8.758
_cell_angle_alpha   90.003
_cell_angle_beta   90.068
_cell_angle_gamma   99.750
_symmetry_Int_Tables_number   1
_cell_volume   215.192
_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  0.490  0.967  0.498  1.0
  Mn  Mn1  1  0.995  0.000  0.009  1.0
  Mn  Mn2  1  0.993  0.013  0.324  1.0
  Mn  Mn3  1  0.997  0.012  0.681  1.0
  Mn  Mn4  1  0.461  0.528  0.838  1.0
  Mn  Mn5  1  0.530  0.475  0.168  1.0
  Mn  Mn6  1  0.570  0.470  0.506  1.0
  O  O7  1  0.128  0.822  0.168  1.0
  O  O8  1  0.131  0.819  0.841  1.0
  O  O9  1  0.329  0.286  0.002  1.0
  O  O10  1  0.364  0.245  0.345  1.0
  O  O11  1  0.363  0.256  0.663  1.0
  O  O12  1  0.650  0.733  0.008  1.0
  O  O13  1  0.658  0.731  0.342  1.0
  O  O14  1  0.642  0.742  0.665  1.0
  O  O15  1  0.855  0.203  0.174  1.0
  O  O16  1  0.856  0.191  0.503  1.0
  F  F17  1  0.130  0.769  0.489  1.0
  F  F18  1  0.843  0.224  0.855  1.0
[/CIF]
.