The compound described by MnOF crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(6), one O(7), one F(2), and one F(3) atom. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(8), one F(4), and one F(5) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(7), one F(6), and one F(8) atom. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), one O(4), one O(8), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(7)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(7)O2F4 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the sixth Mn site, Mn(6) is bonded to one O(7), one O(8), one F(1), one F(2), one F(5), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(8)O3F3 octahedra, and corners with two equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(6), one F(3), one F(4), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(8)O3F3 octahedra, and corners with two equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(3), one O(5), one F(3), one F(5), and one F(8) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(7)O2F4 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(7), and one Mn(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(3), 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(3), one Mn(4), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), 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(3), and one Mn(7) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Mn(2), one Mn(4), and one Mn(7) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(6), and one Mn(8) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(7) atom. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Mn(5) and one Mn(7) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(6), and one Mn(8) atom. is represented by the CIF file [CIF]
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.656
_cell_length_b   6.936
_cell_length_c   7.083
_cell_angle_alpha   93.475
_cell_angle_beta   91.919
_cell_angle_gamma   90.989
_symmetry_Int_Tables_number   1
_cell_volume   277.151
_cell_formula_units_Z   8
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
  Mn  Mn0  1  0.463  0.751  0.251  1.0
  Mn  Mn1  1  0.506  0.751  0.751  1.0
  Mn  Mn2  1  0.564  0.245  0.262  1.0
  Mn  Mn3  1  0.401  0.254  0.757  1.0
  Mn  Mn4  1  0.119  0.499  0.487  1.0
  Mn  Mn5  1  0.856  0.500  0.994  1.0
  Mn  Mn6  1  0.927  0.999  0.509  1.0
  Mn  Mn7  1  0.138  0.002  0.995  1.0
  O  O8  1  0.175  0.030  0.730  1.0
  O  O9  1  0.369  0.693  0.502  1.0
  O  O10  1  0.373  0.198  0.025  1.0
  O  O11  1  0.346  0.300  0.490  1.0
  O  O12  1  0.380  0.809  0.996  1.0
  O  O13  1  0.630  0.987  0.323  1.0
  O  O14  1  0.629  0.508  0.191  1.0
  O  O15  1  0.603  0.490  0.802  1.0
  F  F16  1  0.097  0.465  0.792  1.0
  F  F17  1  0.112  0.541  0.193  1.0
  F  F18  1  0.131  0.964  0.270  1.0
  F  F19  1  0.653  0.016  0.710  1.0
  F  F20  1  0.889  0.800  0.954  1.0
  F  F21  1  0.863  0.296  0.457  1.0
  F  F22  1  0.886  0.702  0.528  1.0
  F  F23  1  0.890  0.199  0.031  1.0
[/CIF]
.
The compound described by MnOF crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(6), one O(7), one F(2), and one F(3) atom. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), one O(8), one F(4), and one F(5) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(7), one F(6), and one F(8) atom. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), one O(4), one O(8), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(7)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra, and  an edgeedge with one Mn(8)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(7)O2F4 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the sixth Mn site, Mn(6) is bonded to one O(7), one O(8), one F(1), one F(2), one F(5), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(8)O3F3 octahedra, and corners with two equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(6), one F(3), one F(4), one F(6), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(8)O3F3 octahedra, and corners with two equivalent Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(3), one O(5), one F(3), one F(5), and one F(8) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(7)O2F4 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(7), and one Mn(8) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(3), 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(3), one Mn(4), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), 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(3), and one Mn(7) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(7), and one Mn(8) atom. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Mn(2), one Mn(4), and one Mn(7) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(6), and one Mn(8) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(7) atom. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Mn(5) and one Mn(7) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(6), and one Mn(8) atom. is represented by the CIF file [CIF]
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.656
_cell_length_b   6.936
_cell_length_c   7.083
_cell_angle_alpha   93.475
_cell_angle_beta   91.919
_cell_angle_gamma   90.989
_symmetry_Int_Tables_number   1
_cell_volume   277.151
_cell_formula_units_Z   8
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
  Mn  Mn0  1  0.463  0.751  0.251  1.0
  Mn  Mn1  1  0.506  0.751  0.751  1.0
  Mn  Mn2  1  0.564  0.245  0.262  1.0
  Mn  Mn3  1  0.401  0.254  0.757  1.0
  Mn  Mn4  1  0.119  0.499  0.487  1.0
  Mn  Mn5  1  0.856  0.500  0.994  1.0
  Mn  Mn6  1  0.927  0.999  0.509  1.0
  Mn  Mn7  1  0.138  0.002  0.995  1.0
  O  O8  1  0.175  0.030  0.730  1.0
  O  O9  1  0.369  0.693  0.502  1.0
  O  O10  1  0.373  0.198  0.025  1.0
  O  O11  1  0.346  0.300  0.490  1.0
  O  O12  1  0.380  0.809  0.996  1.0
  O  O13  1  0.630  0.987  0.323  1.0
  O  O14  1  0.629  0.508  0.191  1.0
  O  O15  1  0.603  0.490  0.802  1.0
  F  F16  1  0.097  0.465  0.792  1.0
  F  F17  1  0.112  0.541  0.193  1.0
  F  F18  1  0.131  0.964  0.270  1.0
  F  F19  1  0.653  0.016  0.710  1.0
  F  F20  1  0.889  0.800  0.954  1.0
  F  F21  1  0.863  0.296  0.457  1.0
  F  F22  1  0.886  0.702  0.528  1.0
  F  F23  1  0.890  0.199  0.031  1.0
[/CIF]
.