The material described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(5), two equivalent F(1), and two equivalent F(4) atoms to form MgO2F4 octahedra that share  a cornercorner with one Mn(2)O2F2 tetrahedra,  a cornercorner with one Mn(1)O3F tetrahedra, edges with two equivalent Mg(1)O2F4 octahedra, and edges with four equivalent Mn(4)O4F2 octahedra. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and one F(3) atom to form MnO3F tetrahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O3F3 octahedra, and corners with two equivalent Mn(1)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), and two equivalent F(5) atoms to form MnO2F2 tetrahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and corners with two equivalent Mn(2)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the third Mn site, Mn(3) is bonded to one O(3), one O(6), 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 49-52°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(5), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O2F2 tetrahedra, corners with two equivalent Mn(1)O3F tetrahedra, edges with two equivalent Mn(4)O4F2 octahedra, and edges with four equivalent Mg(1)O2F4 octahedra. In the fifth Mn site, Mn(5) is bonded to two equivalent O(4), two equivalent O(6), one F(2), and one F(5) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(2)O2F2 tetrahedra, and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the sixth Mn site, Mn(6) is bonded to one O(1), two equivalent O(3), one F(6), and two equivalent F(3) atoms to form MnO3F3 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(1)O3F tetrahedra, and edges with two equivalent Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. 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 to one Mg(1), one Mn(1), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing OMgMn3 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing OMgMn3 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar 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(6) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(6) and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.310
_cell_length_b   15.274
_cell_length_c   3.103
_cell_angle_alpha   89.992
_cell_angle_beta   90.010
_cell_angle_gamma   106.359
_symmetry_Int_Tables_number   1
_cell_volume   241.453
_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  0.010  0.164  0.014  1.0
  Mn  Mn1  1  0.195  0.958  0.009  1.0
  Mn  Mn2  1  0.876  0.373  0.009  1.0
  Mn  Mn3  1  0.980  0.668  0.008  1.0
  Mn  Mn4  1  0.512  0.165  0.513  1.0
  Mn  Mn5  1  0.441  0.516  0.508  1.0
  Mn  Mn6  1  0.527  0.817  0.508  1.0
  O  O7  1  0.332  0.916  0.509  1.0
  O  O8  1  0.299  0.097  0.013  1.0
  O  O9  1  0.325  0.754  0.008  1.0
  O  O10  1  0.236  0.452  0.008  1.0
  O  O11  1  0.724  0.233  0.013  1.0
  O  O12  1  0.641  0.580  0.008  1.0
  F  F13  1  0.206  0.237  0.514  1.0
  F  F14  1  0.104  0.603  0.507  1.0
  F  F15  1  0.788  0.890  0.008  1.0
  F  F16  1  0.814  0.091  0.514  1.0
  F  F17  1  0.675  0.409  0.509  1.0
  F  F18  1  0.845  0.738  0.509  1.0
[/CIF]
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The material described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(5), two equivalent F(1), and two equivalent F(4) atoms to form MgO2F4 octahedra that share  a cornercorner with one Mn(2)O2F2 tetrahedra,  a cornercorner with one Mn(1)O3F tetrahedra, edges with two equivalent Mg(1)O2F4 octahedra, and edges with four equivalent Mn(4)O4F2 octahedra. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and one F(3) atom to form MnO3F tetrahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O3F3 octahedra, and corners with two equivalent Mn(1)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), and two equivalent F(5) atoms to form MnO2F2 tetrahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and corners with two equivalent Mn(2)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 52-67°. In the third Mn site, Mn(3) is bonded to one O(3), one O(6), 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 49-52°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(5), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O2F2 tetrahedra, corners with two equivalent Mn(1)O3F tetrahedra, edges with two equivalent Mn(4)O4F2 octahedra, and edges with four equivalent Mg(1)O2F4 octahedra. In the fifth Mn site, Mn(5) is bonded to two equivalent O(4), two equivalent O(6), one F(2), and one F(5) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(2)O2F2 tetrahedra, and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the sixth Mn site, Mn(6) is bonded to one O(1), two equivalent O(3), one F(6), and two equivalent F(3) atoms to form MnO3F3 octahedra that share corners with four equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(1)O3F tetrahedra, and edges with two equivalent Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. 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 to one Mg(1), one Mn(1), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing OMgMn3 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(4) atoms to form a mixture of corner and edge-sharing OMgMn3 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted trigonal planar 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(6) atoms. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(6) and two equivalent Mn(3) atoms. is represented by the CIF file [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.310
_cell_length_b   15.274
_cell_length_c   3.103
_cell_angle_alpha   89.992
_cell_angle_beta   90.010
_cell_angle_gamma   106.359
_symmetry_Int_Tables_number   1
_cell_volume   241.453
_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  0.010  0.164  0.014  1.0
  Mn  Mn1  1  0.195  0.958  0.009  1.0
  Mn  Mn2  1  0.876  0.373  0.009  1.0
  Mn  Mn3  1  0.980  0.668  0.008  1.0
  Mn  Mn4  1  0.512  0.165  0.513  1.0
  Mn  Mn5  1  0.441  0.516  0.508  1.0
  Mn  Mn6  1  0.527  0.817  0.508  1.0
  O  O7  1  0.332  0.916  0.509  1.0
  O  O8  1  0.299  0.097  0.013  1.0
  O  O9  1  0.325  0.754  0.008  1.0
  O  O10  1  0.236  0.452  0.008  1.0
  O  O11  1  0.724  0.233  0.013  1.0
  O  O12  1  0.641  0.580  0.008  1.0
  F  F13  1  0.206  0.237  0.514  1.0
  F  F14  1  0.104  0.603  0.507  1.0
  F  F15  1  0.788  0.890  0.008  1.0
  F  F16  1  0.814  0.091  0.514  1.0
  F  F17  1  0.675  0.409  0.509  1.0
  F  F18  1  0.845  0.738  0.509  1.0
[/CIF]
.