The crystal structure described by MgMn8(OF)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(7), one F(3), one F(6), and one F(7) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Mn(2)O3F3 octahedra, corners with two equivalent Mn(4)O3F3 octahedra, edges with two equivalent Mn(5)O3F3 octahedra, edges with two equivalent Mn(7)O3F3 octahedra, and faces with two equivalent Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-53°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(6), one O(8), one F(1), one F(2), and one F(8) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(8), one F(1), one F(4), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(6)O3F3 octahedra, corners with four equivalent Mn(7)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-62°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(7), one F(3), one F(6), and one F(7) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(5)O3F3 octahedra, corners with four equivalent Mn(7)O3F3 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(4)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(5), one F(5), one F(7), and one F(8) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(5)O3F3 octahedra, corners with four equivalent Mn(8)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-70°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(5), one O(7), one F(3), one F(5), and one F(7) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(4)O3F3 octahedra,  an edgeedge with one Mn(7)O3F3 octahedra,  an edgeedge with one Mn(8)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-70°. In the sixth Mn site, Mn(6) is bonded to one O(4), one O(6), one O(8), one F(1), one F(2), and one F(4) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(4), one O(7), one F(3), one F(4), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the eighth Mn site, Mn(8) is bonded to one O(3), one O(5), one O(6), one F(2), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(7) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) 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(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(6), and one Mn(7) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(6), and one Mn(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(7) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(6), and one Mn(8) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(7) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(6), and one Mn(7) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(7) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Mn(8) atom. is represented by the CIF card [CIF]
data_MgMn8(OF)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.779
_cell_length_b   4.937
_cell_length_c   12.509
_cell_angle_alpha   89.915
_cell_angle_beta   89.833
_cell_angle_gamma   90.489
_symmetry_Int_Tables_number   1
_cell_volume   295.113
_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  0.985  0.504  0.499  1.0
  Mn  Mn1  1  0.986  0.943  0.001  1.0
  Mn  Mn2  1  0.040  0.004  0.244  1.0
  Mn  Mn3  1  0.946  0.984  0.499  1.0
  Mn  Mn4  1  0.058  0.007  0.756  1.0
  Mn  Mn5  1  0.470  0.548  0.635  1.0
  Mn  Mn6  1  0.541  0.442  0.122  1.0
  Mn  Mn7  1  0.466  0.537  0.363  1.0
  Mn  Mn8  1  0.485  0.509  0.880  1.0
  O  O9  1  0.148  0.778  0.376  1.0
  O  O10  1  0.139  0.765  0.614  1.0
  O  O11  1  0.188  0.787  0.885  1.0
  O  O12  1  0.344  0.287  0.249  1.0
  O  O13  1  0.325  0.337  0.752  1.0
  O  O14  1  0.688  0.654  0.004  1.0
  O  O15  1  0.631  0.701  0.496  1.0
  O  O16  1  0.834  0.156  0.124  1.0
  F  F17  1  0.229  0.744  0.128  1.0
  F  F18  1  0.294  0.244  0.002  1.0
  F  F19  1  0.298  0.267  0.497  1.0
  F  F20  1  0.719  0.719  0.246  1.0
  F  F21  1  0.686  0.759  0.752  1.0
  F  F22  1  0.815  0.265  0.383  1.0
  F  F23  1  0.809  0.266  0.614  1.0
  F  F24  1  0.793  0.212  0.876  1.0
[/CIF]
.
The crystal structure described by MgMn8(OF)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(7), one F(3), one F(6), and one F(7) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Mn(2)O3F3 octahedra, corners with two equivalent Mn(4)O3F3 octahedra, edges with two equivalent Mn(5)O3F3 octahedra, edges with two equivalent Mn(7)O3F3 octahedra, and faces with two equivalent Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-53°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(6), one O(8), one F(1), one F(2), and one F(8) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(8), one F(1), one F(4), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(6)O3F3 octahedra, corners with four equivalent Mn(7)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-62°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(7), one F(3), one F(6), and one F(7) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(5)O3F3 octahedra, corners with four equivalent Mn(7)O3F3 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(4)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(5), one F(5), one F(7), and one F(8) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(5)O3F3 octahedra, corners with four equivalent Mn(8)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-70°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(5), one O(7), one F(3), one F(5), and one F(7) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(3)O3F3 octahedra, corners with four equivalent Mn(4)O3F3 octahedra,  an edgeedge with one Mn(7)O3F3 octahedra,  an edgeedge with one Mn(8)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-70°. In the sixth Mn site, Mn(6) is bonded to one O(4), one O(6), one O(8), one F(1), one F(2), and one F(4) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(4), one O(7), one F(3), one F(4), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the eighth Mn site, Mn(8) is bonded to one O(3), one O(5), one O(6), one F(2), one F(5), and one F(8) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(7) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) 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(8) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(6), and one Mn(7) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(6), and one Mn(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(7) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(6), and one Mn(8) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(7) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(6), and one Mn(7) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(7) atom. In the seventh F site, F(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Mn(8) atom. is represented by the CIF card [CIF]
data_MgMn8(OF)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.779
_cell_length_b   4.937
_cell_length_c   12.509
_cell_angle_alpha   89.915
_cell_angle_beta   89.833
_cell_angle_gamma   90.489
_symmetry_Int_Tables_number   1
_cell_volume   295.113
_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  0.985  0.504  0.499  1.0
  Mn  Mn1  1  0.986  0.943  0.001  1.0
  Mn  Mn2  1  0.040  0.004  0.244  1.0
  Mn  Mn3  1  0.946  0.984  0.499  1.0
  Mn  Mn4  1  0.058  0.007  0.756  1.0
  Mn  Mn5  1  0.470  0.548  0.635  1.0
  Mn  Mn6  1  0.541  0.442  0.122  1.0
  Mn  Mn7  1  0.466  0.537  0.363  1.0
  Mn  Mn8  1  0.485  0.509  0.880  1.0
  O  O9  1  0.148  0.778  0.376  1.0
  O  O10  1  0.139  0.765  0.614  1.0
  O  O11  1  0.188  0.787  0.885  1.0
  O  O12  1  0.344  0.287  0.249  1.0
  O  O13  1  0.325  0.337  0.752  1.0
  O  O14  1  0.688  0.654  0.004  1.0
  O  O15  1  0.631  0.701  0.496  1.0
  O  O16  1  0.834  0.156  0.124  1.0
  F  F17  1  0.229  0.744  0.128  1.0
  F  F18  1  0.294  0.244  0.002  1.0
  F  F19  1  0.298  0.267  0.497  1.0
  F  F20  1  0.719  0.719  0.246  1.0
  F  F21  1  0.686  0.759  0.752  1.0
  F  F22  1  0.815  0.265  0.383  1.0
  F  F23  1  0.809  0.266  0.614  1.0
  F  F24  1  0.793  0.212  0.876  1.0
[/CIF]
.