The material structure described by Mn2OF2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one F(13), one F(14), one F(6), and one F(8) atom. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to one F(10), one F(12), one F(14), one F(3), and one F(9) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one F(1), one F(13), and one F(16) atom. In the fourth Mn site, Mn(4) is bonded in a distorted rectangular see-saw-like geometry to one O(7), one O(8), one F(5), and one F(6) atom. In the fifth Mn site, Mn(5) is bonded in a distorted L-shaped geometry to one F(1) and one F(15) atom. In the sixth Mn site, Mn(6) is bonded in a 1-coordinate geometry to one O(7), one F(11), one F(12), one F(13), one F(4), one F(5), and one F(7) atom. In the seventh Mn site, Mn(7) is bonded in a 3-coordinate geometry to one F(13), one F(15), and one F(6) atom. In the eighth Mn site, Mn(8) is bonded in a 5-coordinate geometry to one O(5), one O(8), one F(1), one F(11), and one F(2) atom. In the ninth Mn site, Mn(9) is bonded in a 3-coordinate geometry to one F(3), one F(5), and one F(7) atom. In the tenth Mn site, Mn(10) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(6), one O(8), and one F(9) atom. In the eleventh Mn site, Mn(11) is bonded in a 1-coordinate geometry to one F(16), one F(5), and one F(6) atom. In the twelfth Mn site, Mn(12) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(7) atom. In the thirteenth Mn site, Mn(13) is bonded in a distorted trigonal bipyramidal geometry to one O(6), one F(15), one F(4), one F(7), and one F(8) atom. In the fourteenth Mn site, Mn(14) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(6), one O(8), one F(2), one F(6), and one F(8) atom. In the fifteenth Mn site, Mn(15) is bonded in a 5-coordinate geometry to one O(1), one O(5), one F(14), one F(16), and one F(9) atom. In the sixteenth Mn site, Mn(16) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(7), one F(10), and one F(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(10), one Mn(12), one Mn(15), and one Mn(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Mn(16) and one F(10) atom. In the third O site, O(3) is bonded to one Mn(12), one Mn(14), one Mn(16), and one Mn(3) atom to form distorted edge-sharing OMn4 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(14) and one Mn(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mn(15), one Mn(8), and one F(14) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Mn(10), one Mn(13), and one Mn(14) atom. In the seventh O site, O(7) is bonded to one Mn(12), one Mn(16), one Mn(4), and one Mn(6) atom to form distorted edge-sharing OMn4 tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mn(10), one Mn(14), one Mn(4), and one Mn(8) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one Mn(8) atom. In the second F site, F(2) is bonded in a 1-coordinate geometry to one Mn(14) and one Mn(8) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Mn(2) and one Mn(9) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mn(13), one Mn(16), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Mn(11), one Mn(4), one Mn(6), and one Mn(9) atom. In the sixth F site, F(6) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(11), one Mn(14), one Mn(4), and one Mn(7) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Mn(13), one Mn(6), and one Mn(9) atom. In the eighth F site, F(8) is bonded in a 1-coordinate geometry to one Mn(1), one Mn(13), and one Mn(14) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(15), and one Mn(2) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Mn(16), one Mn(2), and one O(2) atom. In the eleventh F site, F(11) is bonded in a distorted single-bond geometry to one Mn(6) and one Mn(8) atom. In the twelfth F site, F(12) is bonded in a bent 120 degrees geometry to one Mn(2) and one Mn(6) atom. In the thirteenth F site, F(13) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Mn(6), and one Mn(7) atom. In the fourteenth F site, F(14) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(15), one Mn(2), and one O(5) atom. In the fifteenth F site, F(15) is bonded in a 3-coordinate geometry to one Mn(13), one Mn(5), and one Mn(7) atom. In the sixteenth F site, F(16) is bonded in a distorted T-shaped geometry to one Mn(11), one Mn(15), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.910
_cell_length_b   8.835
_cell_length_c   8.922
_cell_angle_alpha   109.414
_cell_angle_beta   109.552
_cell_angle_gamma   109.195
_symmetry_Int_Tables_number   1
_cell_volume   542.353
_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  0.720  0.182  0.045  1.0
  Mn  Mn1  1  0.960  0.956  0.039  1.0
  Mn  Mn2  1  0.535  0.029  0.491  1.0
  Mn  Mn3  1  0.490  0.517  0.997  1.0
  Mn  Mn4  1  0.996  0.751  0.264  1.0
  Mn  Mn5  1  0.458  0.706  0.750  1.0
  Mn  Mn6  1  0.361  0.087  0.689  1.0
  Mn  Mn7  1  0.288  0.498  0.232  1.0
  Mn  Mn8  1  0.265  0.217  0.503  1.0
  Mn  Mn9  1  0.770  0.802  0.474  1.0
  Mn  Mn10  1  0.649  0.429  0.808  1.0
  Mn  Mn11  1  0.686  0.980  0.269  1.0
  Mn  Mn12  1  0.012  0.551  0.482  1.0
  Mn  Mn13  1  0.529  0.281  0.248  1.0
  Mn  Mn14  1  0.939  0.191  0.765  1.0
  Mn  Mn15  1  0.283  0.814  0.979  1.0
  O  O16  1  0.787  0.042  0.479  1.0
  O  O17  1  0.196  0.952  0.044  1.0
  O  O18  1  0.462  0.008  0.269  1.0
  O  O19  1  0.559  0.296  0.464  1.0
  O  O20  1  0.995  0.221  0.024  1.0
  O  O21  1  0.772  0.554  0.492  1.0
  O  O22  1  0.454  0.727  0.009  1.0
  O  O23  1  0.487  0.485  0.267  1.0
  F  F24  1  0.236  0.697  0.261  1.0
  F  F25  1  0.301  0.242  0.228  1.0
  F  F26  1  0.001  0.057  0.219  1.0
  F  F27  1  0.169  0.694  0.779  1.0
  F  F28  1  0.511  0.479  0.733  1.0
  F  F29  1  0.565  0.304  0.991  1.0
  F  F30  1  0.225  0.449  0.502  1.0
  F  F31  1  0.814  0.306  0.233  1.0
  F  F32  1  0.994  0.959  0.778  1.0
  F  F33  1  0.047  0.802  0.954  1.0
  F  F34  1  0.404  0.673  0.544  1.0
  F  F35  1  0.716  0.756  0.755  1.0
  F  F36  1  0.553  0.003  0.731  1.0
  F  F37  1  0.845  0.091  0.940  1.0
  F  F38  1  0.160  0.873  0.557  1.0
  F  F39  1  0.803  0.339  0.714  1.0
[/CIF]
.
The material structure described by Mn2OF2 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to one F(13), one F(14), one F(6), and one F(8) atom. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to one F(10), one F(12), one F(14), one F(3), and one F(9) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one F(1), one F(13), and one F(16) atom. In the fourth Mn site, Mn(4) is bonded in a distorted rectangular see-saw-like geometry to one O(7), one O(8), one F(5), and one F(6) atom. In the fifth Mn site, Mn(5) is bonded in a distorted L-shaped geometry to one F(1) and one F(15) atom. In the sixth Mn site, Mn(6) is bonded in a 1-coordinate geometry to one O(7), one F(11), one F(12), one F(13), one F(4), one F(5), and one F(7) atom. In the seventh Mn site, Mn(7) is bonded in a 3-coordinate geometry to one F(13), one F(15), and one F(6) atom. In the eighth Mn site, Mn(8) is bonded in a 5-coordinate geometry to one O(5), one O(8), one F(1), one F(11), and one F(2) atom. In the ninth Mn site, Mn(9) is bonded in a 3-coordinate geometry to one F(3), one F(5), and one F(7) atom. In the tenth Mn site, Mn(10) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(6), one O(8), and one F(9) atom. In the eleventh Mn site, Mn(11) is bonded in a 1-coordinate geometry to one F(16), one F(5), and one F(6) atom. In the twelfth Mn site, Mn(12) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(7) atom. In the thirteenth Mn site, Mn(13) is bonded in a distorted trigonal bipyramidal geometry to one O(6), one F(15), one F(4), one F(7), and one F(8) atom. In the fourteenth Mn site, Mn(14) is bonded in a 7-coordinate geometry to one O(3), one O(4), one O(6), one O(8), one F(2), one F(6), and one F(8) atom. In the fifteenth Mn site, Mn(15) is bonded in a 5-coordinate geometry to one O(1), one O(5), one F(14), one F(16), and one F(9) atom. In the sixteenth Mn site, Mn(16) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(7), one F(10), and one F(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(10), one Mn(12), one Mn(15), and one Mn(3) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Mn(16) and one F(10) atom. In the third O site, O(3) is bonded to one Mn(12), one Mn(14), one Mn(16), and one Mn(3) atom to form distorted edge-sharing OMn4 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(14) and one Mn(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Mn(15), one Mn(8), and one F(14) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Mn(10), one Mn(13), and one Mn(14) atom. In the seventh O site, O(7) is bonded to one Mn(12), one Mn(16), one Mn(4), and one Mn(6) atom to form distorted edge-sharing OMn4 tetrahedra. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mn(10), one Mn(14), one Mn(4), and one Mn(8) atom. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one Mn(8) atom. In the second F site, F(2) is bonded in a 1-coordinate geometry to one Mn(14) and one Mn(8) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Mn(2) and one Mn(9) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mn(13), one Mn(16), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Mn(11), one Mn(4), one Mn(6), and one Mn(9) atom. In the sixth F site, F(6) is bonded in a 5-coordinate geometry to one Mn(1), one Mn(11), one Mn(14), one Mn(4), and one Mn(7) atom. In the seventh F site, F(7) is bonded in a 3-coordinate geometry to one Mn(13), one Mn(6), and one Mn(9) atom. In the eighth F site, F(8) is bonded in a 1-coordinate geometry to one Mn(1), one Mn(13), and one Mn(14) atom. In the ninth F site, F(9) is bonded in a 3-coordinate geometry to one Mn(10), one Mn(15), and one Mn(2) atom. In the tenth F site, F(10) is bonded in a 3-coordinate geometry to one Mn(16), one Mn(2), and one O(2) atom. In the eleventh F site, F(11) is bonded in a distorted single-bond geometry to one Mn(6) and one Mn(8) atom. In the twelfth F site, F(12) is bonded in a bent 120 degrees geometry to one Mn(2) and one Mn(6) atom. In the thirteenth F site, F(13) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(3), one Mn(6), and one Mn(7) atom. In the fourteenth F site, F(14) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(15), one Mn(2), and one O(5) atom. In the fifteenth F site, F(15) is bonded in a 3-coordinate geometry to one Mn(13), one Mn(5), and one Mn(7) atom. In the sixteenth F site, F(16) is bonded in a distorted T-shaped geometry to one Mn(11), one Mn(15), and one Mn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2OF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.910
_cell_length_b   8.835
_cell_length_c   8.922
_cell_angle_alpha   109.414
_cell_angle_beta   109.552
_cell_angle_gamma   109.195
_symmetry_Int_Tables_number   1
_cell_volume   542.353
_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  0.720  0.182  0.045  1.0
  Mn  Mn1  1  0.960  0.956  0.039  1.0
  Mn  Mn2  1  0.535  0.029  0.491  1.0
  Mn  Mn3  1  0.490  0.517  0.997  1.0
  Mn  Mn4  1  0.996  0.751  0.264  1.0
  Mn  Mn5  1  0.458  0.706  0.750  1.0
  Mn  Mn6  1  0.361  0.087  0.689  1.0
  Mn  Mn7  1  0.288  0.498  0.232  1.0
  Mn  Mn8  1  0.265  0.217  0.503  1.0
  Mn  Mn9  1  0.770  0.802  0.474  1.0
  Mn  Mn10  1  0.649  0.429  0.808  1.0
  Mn  Mn11  1  0.686  0.980  0.269  1.0
  Mn  Mn12  1  0.012  0.551  0.482  1.0
  Mn  Mn13  1  0.529  0.281  0.248  1.0
  Mn  Mn14  1  0.939  0.191  0.765  1.0
  Mn  Mn15  1  0.283  0.814  0.979  1.0
  O  O16  1  0.787  0.042  0.479  1.0
  O  O17  1  0.196  0.952  0.044  1.0
  O  O18  1  0.462  0.008  0.269  1.0
  O  O19  1  0.559  0.296  0.464  1.0
  O  O20  1  0.995  0.221  0.024  1.0
  O  O21  1  0.772  0.554  0.492  1.0
  O  O22  1  0.454  0.727  0.009  1.0
  O  O23  1  0.487  0.485  0.267  1.0
  F  F24  1  0.236  0.697  0.261  1.0
  F  F25  1  0.301  0.242  0.228  1.0
  F  F26  1  0.001  0.057  0.219  1.0
  F  F27  1  0.169  0.694  0.779  1.0
  F  F28  1  0.511  0.479  0.733  1.0
  F  F29  1  0.565  0.304  0.991  1.0
  F  F30  1  0.225  0.449  0.502  1.0
  F  F31  1  0.814  0.306  0.233  1.0
  F  F32  1  0.994  0.959  0.778  1.0
  F  F33  1  0.047  0.802  0.954  1.0
  F  F34  1  0.404  0.673  0.544  1.0
  F  F35  1  0.716  0.756  0.755  1.0
  F  F36  1  0.553  0.003  0.731  1.0
  F  F37  1  0.845  0.091  0.940  1.0
  F  F38  1  0.160  0.873  0.557  1.0
  F  F39  1  0.803  0.339  0.714  1.0
[/CIF]
.