The material structure described by MnOF is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(6), one F(3), 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 47-59°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(5), one F(4), one F(5), and one F(7) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-61°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(7), one F(2), one F(4), and one F(6) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the fourth Mn site, Mn(4) is bonded to one O(6), one O(7), one O(8), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(8), one F(2), one F(4), and one F(8) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(4), one O(8), one F(1), one F(5), and one F(6) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-61°. In the seventh Mn site, Mn(7) is bonded to one O(3), one O(5), one O(6), one F(1), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(3), one O(7), one F(3), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), 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(5), and one Mn(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3), one Mn(7), 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(3), and one Mn(6) 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(7) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(7) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(6), and one Mn(7) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(8) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Mn(3), one Mn(6), and one Mn(7) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.571
_cell_length_b   7.483
_cell_length_c   7.532
_cell_angle_alpha   84.764
_cell_angle_beta   88.598
_cell_angle_gamma   89.488
_symmetry_Int_Tables_number   1
_cell_volume   256.439
_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  0.484  0.690  0.943  1.0
  Mn  Mn1  1  0.435  0.294  0.057  1.0
  Mn  Mn2  1  0.485  0.209  0.468  1.0
  Mn  Mn3  1  0.569  0.804  0.551  1.0
  Mn  Mn4  1  0.014  0.943  0.195  1.0
  Mn  Mn5  1  0.032  0.556  0.290  1.0
  Mn  Mn6  1  0.012  0.463  0.711  1.0
  Mn  Mn7  1  0.991  0.061  0.791  1.0
  O  O8  1  0.199  0.101  0.013  1.0
  O  O9  1  0.236  0.734  0.138  1.0
  O  O10  1  0.206  0.244  0.658  1.0
  O  O11  1  0.265  0.342  0.275  1.0
  O  O12  1  0.253  0.484  0.909  1.0
  O  O13  1  0.738  0.657  0.735  1.0
  O  O14  1  0.731  0.024  0.600  1.0
  O  O15  1  0.810  0.764  0.348  1.0
  F  F16  1  0.292  0.606  0.517  1.0
  F  F17  1  0.301  0.962  0.405  1.0
  F  F18  1  0.260  0.850  0.748  1.0
  F  F19  1  0.721  0.138  0.235  1.0
  F  F20  1  0.718  0.487  0.104  1.0
  F  F21  1  0.792  0.418  0.484  1.0
  F  F22  1  0.713  0.268  0.857  1.0
  F  F23  1  0.742  0.900  0.969  1.0
[/CIF]
.
The material structure described by MnOF is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(6), one F(3), 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 47-59°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(5), one F(4), one F(5), and one F(7) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-61°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(7), one F(2), one F(4), and one F(6) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the fourth Mn site, Mn(4) is bonded to one O(6), one O(7), one O(8), one F(1), one F(2), and one F(3) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-54°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(8), one F(2), one F(4), and one F(8) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(4), one O(8), one F(1), one F(5), and one F(6) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-61°. In the seventh Mn site, Mn(7) is bonded to one O(3), one O(5), one O(6), one F(1), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(3), one O(7), one F(3), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), 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(5), and one Mn(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3), one Mn(7), 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(3), and one Mn(6) 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(7) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(7) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(8) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(6), and one Mn(7) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(8) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Mn(3), one Mn(6), and one Mn(7) atom. In the seventh F site, F(7) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(7), and one Mn(8) atom. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(8) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.571
_cell_length_b   7.483
_cell_length_c   7.532
_cell_angle_alpha   84.764
_cell_angle_beta   88.598
_cell_angle_gamma   89.488
_symmetry_Int_Tables_number   1
_cell_volume   256.439
_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  0.484  0.690  0.943  1.0
  Mn  Mn1  1  0.435  0.294  0.057  1.0
  Mn  Mn2  1  0.485  0.209  0.468  1.0
  Mn  Mn3  1  0.569  0.804  0.551  1.0
  Mn  Mn4  1  0.014  0.943  0.195  1.0
  Mn  Mn5  1  0.032  0.556  0.290  1.0
  Mn  Mn6  1  0.012  0.463  0.711  1.0
  Mn  Mn7  1  0.991  0.061  0.791  1.0
  O  O8  1  0.199  0.101  0.013  1.0
  O  O9  1  0.236  0.734  0.138  1.0
  O  O10  1  0.206  0.244  0.658  1.0
  O  O11  1  0.265  0.342  0.275  1.0
  O  O12  1  0.253  0.484  0.909  1.0
  O  O13  1  0.738  0.657  0.735  1.0
  O  O14  1  0.731  0.024  0.600  1.0
  O  O15  1  0.810  0.764  0.348  1.0
  F  F16  1  0.292  0.606  0.517  1.0
  F  F17  1  0.301  0.962  0.405  1.0
  F  F18  1  0.260  0.850  0.748  1.0
  F  F19  1  0.721  0.138  0.235  1.0
  F  F20  1  0.718  0.487  0.104  1.0
  F  F21  1  0.792  0.418  0.484  1.0
  F  F22  1  0.713  0.268  0.857  1.0
  F  F23  1  0.742  0.900  0.969  1.0
[/CIF]
.