The compound described by MgMn6O11F crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(10), two equivalent O(5), two equivalent O(7), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(6)O3F2 square pyramids, corners with two equivalent Mn(2)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra,  a faceface with one Mn(4)O5F octahedra, and  a faceface with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-32°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(11) atoms to form MnO6 octahedra that share corners with four equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(6)O3F2 square pyramids, corners with two equivalent Mn(2)O5 square pyramids, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(10), and two equivalent O(3) atoms to form MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 50-60°. In the third Mn site, Mn(3) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourth Mn site, Mn(4) is bonded to one O(9), two equivalent O(5), two equivalent O(8), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(6)O3F2 square pyramids, edges with two equivalent Mn(4)O5F octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 20-52°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(2)O5 square pyramids, edges with two equivalent Mn(5)O6 octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 32-52°. In the sixth Mn site, Mn(6) is bonded to one O(11), two equivalent O(9), and two equivalent F(1) atoms to form MnO3F2 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(6)O3F2 square pyramids. The corner-sharing octahedral tilt angles range from 51-59°. There are eleven 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 in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) 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 distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(3) 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 4-coordinate geometry to one Mg(1), one Mn(5), and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(1) atoms. F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(4), and two equivalent Mn(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.986
_cell_length_b   6.643
_cell_length_c   2.921
_cell_angle_alpha   89.999
_cell_angle_beta   89.990
_cell_angle_gamma   110.350
_symmetry_Int_Tables_number   1
_cell_volume   218.088
_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  0.493  0.015  0.011  1.0
  Mn  Mn1  1  0.001  0.004  0.011  1.0
  Mn  Mn2  1  0.287  0.210  0.510  1.0
  Mn  Mn3  1  0.002  0.503  0.511  1.0
  Mn  Mn4  1  0.720  0.308  0.011  1.0
  Mn  Mn5  1  0.285  0.692  0.010  1.0
  Mn  Mn6  1  0.719  0.776  0.512  1.0
  O  O7  1  0.111  0.063  0.511  1.0
  O  O8  1  0.017  0.322  0.011  1.0
  O  O9  1  0.297  0.407  0.010  1.0
  O  O10  1  0.986  0.685  0.011  1.0
  O  O11  1  0.598  0.208  0.511  1.0
  O  O12  1  0.176  0.654  0.510  1.0
  O  O13  1  0.406  0.785  0.510  1.0
  O  O14  1  0.828  0.347  0.511  1.0
  O  O15  1  0.705  0.590  0.012  1.0
  O  O16  1  0.328  0.050  0.010  1.0
  O  O17  1  0.888  0.947  0.511  1.0
  F  F18  1  0.660  0.934  0.012  1.0
[/CIF]
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The compound described by MgMn6O11F crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(10), two equivalent O(5), two equivalent O(7), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(6)O3F2 square pyramids, corners with two equivalent Mn(2)O5 square pyramids, edges with two equivalent Mg(1)O5F octahedra,  a faceface with one Mn(4)O5F octahedra, and  a faceface with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-32°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(11) atoms to form MnO6 octahedra that share corners with four equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(6)O3F2 square pyramids, corners with two equivalent Mn(2)O5 square pyramids, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(10), and two equivalent O(3) atoms to form MnO5 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(5)O6 octahedra, and edges with two equivalent Mn(2)O5 square pyramids. The corner-sharing octahedral tilt angles range from 50-60°. In the third Mn site, Mn(3) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O5F octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the fourth Mn site, Mn(4) is bonded to one O(9), two equivalent O(5), two equivalent O(8), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(6)O3F2 square pyramids, edges with two equivalent Mn(4)O5F octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 20-52°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(2)O5 square pyramids, edges with two equivalent Mn(5)O6 octahedra, and  a faceface with one Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 32-52°. In the sixth Mn site, Mn(6) is bonded to one O(11), two equivalent O(9), and two equivalent F(1) atoms to form MnO3F2 square pyramids that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(6)O3F2 square pyramids. The corner-sharing octahedral tilt angles range from 51-59°. There are eleven 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 in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) 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 distorted rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(3) 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 4-coordinate geometry to one Mg(1), one Mn(5), and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(1) atoms. F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(4), and two equivalent Mn(6) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6O11F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.986
_cell_length_b   6.643
_cell_length_c   2.921
_cell_angle_alpha   89.999
_cell_angle_beta   89.990
_cell_angle_gamma   110.350
_symmetry_Int_Tables_number   1
_cell_volume   218.088
_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  0.493  0.015  0.011  1.0
  Mn  Mn1  1  0.001  0.004  0.011  1.0
  Mn  Mn2  1  0.287  0.210  0.510  1.0
  Mn  Mn3  1  0.002  0.503  0.511  1.0
  Mn  Mn4  1  0.720  0.308  0.011  1.0
  Mn  Mn5  1  0.285  0.692  0.010  1.0
  Mn  Mn6  1  0.719  0.776  0.512  1.0
  O  O7  1  0.111  0.063  0.511  1.0
  O  O8  1  0.017  0.322  0.011  1.0
  O  O9  1  0.297  0.407  0.010  1.0
  O  O10  1  0.986  0.685  0.011  1.0
  O  O11  1  0.598  0.208  0.511  1.0
  O  O12  1  0.176  0.654  0.510  1.0
  O  O13  1  0.406  0.785  0.510  1.0
  O  O14  1  0.828  0.347  0.511  1.0
  O  O15  1  0.705  0.590  0.012  1.0
  O  O16  1  0.328  0.050  0.010  1.0
  O  O17  1  0.888  0.947  0.511  1.0
  F  F18  1  0.660  0.934  0.012  1.0
[/CIF]
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