The structure described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to two equivalent O(3), two equivalent O(4), one F(1), and one F(5) atom to form distorted MgO4F2 octahedra that share corners with two equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mg(1)O4F2 octahedra, edges with four equivalent Mn(2)O2F4 octahedra, and  a faceface with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-38°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(6), one F(3), and one F(4) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(6)O3F3 octahedra and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent F(1), and two equivalent F(5) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mn(2)O2F4 octahedra, and edges with four equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the third Mn site, Mn(3) is bonded to one O(2), one O(5), two equivalent F(2), and two equivalent F(6) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(6)O3F3 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(4), and two equivalent F(3) atoms. In the fifth Mn site, Mn(5) is bonded to two equivalent O(3), two equivalent O(5), one F(2), and one F(5) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(3)O2F4 octahedra, edges with two equivalent Mn(5)O4F2 octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-56°. In the sixth Mn site, Mn(6) is bonded to one O(1), two equivalent O(2), one F(6), and two equivalent F(4) atoms to form MnO3F3 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(5) atoms to form a mixture of distorted corner and edge-sharing OMg2Mn3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(4) 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(3) and two equivalent Mn(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(5) and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(4) atoms. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(6) atoms. In the fifth F site, F(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(5), and two equivalent Mn(2) atoms. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(6) and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.260
_cell_length_b   14.572
_cell_length_c   3.043
_cell_angle_alpha   89.541
_cell_angle_beta   89.800
_cell_angle_gamma   94.826
_symmetry_Int_Tables_number   1
_cell_volume   232.392
_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  0.526  0.331  0.550  1.0
  Mn  Mn1  1  0.043  0.990  0.998  1.0
  Mn  Mn2  1  0.020  0.342  0.043  1.0
  Mn  Mn3  1  0.951  0.673  0.003  1.0
  Mn  Mn4  1  0.634  0.142  0.504  1.0
  Mn  Mn5  1  0.481  0.522  0.520  1.0
  Mn  Mn6  1  0.418  0.828  0.498  1.0
  O  O7  1  0.176  0.925  0.499  1.0
  O  O8  1  0.256  0.762  0.999  1.0
  O  O9  1  0.371  0.426  0.030  1.0
  O  O10  1  0.675  0.258  0.047  1.0
  O  O11  1  0.645  0.585  0.015  1.0
  O  O12  1  0.902  0.055  0.497  1.0
  F  F13  1  0.187  0.265  0.545  1.0
  F  F14  1  0.129  0.599  0.508  1.0
  F  F15  1  0.398  0.086  0.000  1.0
  F  F16  1  0.629  0.888  0.998  1.0
  F  F17  1  0.840  0.418  0.539  1.0
  F  F18  1  0.775  0.741  0.501  1.0
[/CIF]
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The structure described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to two equivalent O(3), two equivalent O(4), one F(1), and one F(5) atom to form distorted MgO4F2 octahedra that share corners with two equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mg(1)O4F2 octahedra, edges with four equivalent Mn(2)O2F4 octahedra, and  a faceface with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-38°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(6), one F(3), and one F(4) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(6)O3F3 octahedra and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent F(1), and two equivalent F(5) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mn(2)O2F4 octahedra, and edges with four equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. In the third Mn site, Mn(3) is bonded to one O(2), one O(5), two equivalent F(2), and two equivalent F(6) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(6)O3F3 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(4), and two equivalent F(3) atoms. In the fifth Mn site, Mn(5) is bonded to two equivalent O(3), two equivalent O(5), one F(2), and one F(5) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(3)O2F4 octahedra, edges with two equivalent Mn(5)O4F2 octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-56°. In the sixth Mn site, Mn(6) is bonded to one O(1), two equivalent O(2), one F(6), and two equivalent F(4) atoms to form MnO3F3 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(5) atoms to form a mixture of distorted corner and edge-sharing OMg2Mn3 trigonal bipyramids. In the fourth O site, O(4) is bonded to two equivalent Mg(1), one Mn(2), and two equivalent Mn(4) 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(3) and two equivalent Mn(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(5) and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(4) atoms. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(6) atoms. In the fifth F site, F(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(5), and two equivalent Mn(2) atoms. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(6) and two equivalent Mn(3) atoms. is represented by the CIF card [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.260
_cell_length_b   14.572
_cell_length_c   3.043
_cell_angle_alpha   89.541
_cell_angle_beta   89.800
_cell_angle_gamma   94.826
_symmetry_Int_Tables_number   1
_cell_volume   232.392
_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  0.526  0.331  0.550  1.0
  Mn  Mn1  1  0.043  0.990  0.998  1.0
  Mn  Mn2  1  0.020  0.342  0.043  1.0
  Mn  Mn3  1  0.951  0.673  0.003  1.0
  Mn  Mn4  1  0.634  0.142  0.504  1.0
  Mn  Mn5  1  0.481  0.522  0.520  1.0
  Mn  Mn6  1  0.418  0.828  0.498  1.0
  O  O7  1  0.176  0.925  0.499  1.0
  O  O8  1  0.256  0.762  0.999  1.0
  O  O9  1  0.371  0.426  0.030  1.0
  O  O10  1  0.675  0.258  0.047  1.0
  O  O11  1  0.645  0.585  0.015  1.0
  O  O12  1  0.902  0.055  0.497  1.0
  F  F13  1  0.187  0.265  0.545  1.0
  F  F14  1  0.129  0.599  0.508  1.0
  F  F15  1  0.398  0.086  0.000  1.0
  F  F16  1  0.629  0.888  0.998  1.0
  F  F17  1  0.840  0.418  0.539  1.0
  F  F18  1  0.775  0.741  0.501  1.0
[/CIF]
.