The compound described by Mn3OF8 crystallizes in the triclinic P1 space group. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one F(14), one F(19), one F(25), one F(28), and one F(5) atom to form MnOF5 octahedra that share corners with three equivalent Mn(10)F6 octahedra and corners with three equivalent Mn(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the second Mn site, Mn(2) is bonded to one O(3), one F(12), one F(2), one F(22), one F(23), and one F(31) atom to form MnOF5 octahedra that share corners with three equivalent Mn(12)F6 octahedra and corners with three equivalent Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. In the third Mn site, Mn(3) is bonded to one O(4), one F(1), one F(21), one F(24), one F(32), and one F(9) atom to form MnOF5 octahedra that share corners with three equivalent Mn(11)F6 octahedra and corners with three equivalent Mn(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-40°. In the fourth Mn site, Mn(4) is bonded to one O(1), one F(13), one F(20), one F(26), one F(27), and one F(8) atom to form MnOF5 octahedra that share corners with three equivalent Mn(9)F6 octahedra and corners with three equivalent Mn(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. In the fifth Mn site, Mn(5) is bonded to one O(4), one F(1), one F(17), one F(29), one F(6), and one F(9) atom to form MnOF5 octahedra that share corners with three equivalent Mn(9)F6 octahedra and corners with three equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. In the sixth Mn site, Mn(6) is bonded to one O(3), one F(12), one F(18), one F(2), one F(30), and one F(7) atom to form MnOF5 octahedra that share corners with three equivalent Mn(10)F6 octahedra and corners with three equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. In the seventh Mn site, Mn(7) is bonded to one O(1), one F(11), one F(16), one F(20), one F(4), and one F(8) atom to form MnOF5 octahedra that share corners with three equivalent Mn(12)F6 octahedra and corners with three equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. In the eighth Mn site, Mn(8) is bonded to one O(2), one F(10), one F(15), one F(19), one F(3), and one F(5) atom to form MnOF5 octahedra that share corners with three equivalent Mn(11)F6 octahedra and corners with three equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the ninth Mn site, Mn(9) is bonded to one F(13), one F(17), one F(26), one F(27), one F(29), and one F(6) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. In the tenth Mn site, Mn(10) is bonded to one F(14), one F(18), one F(25), one F(28), one F(30), and one F(7) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 29-34°. In the eleventh Mn site, Mn(11) is bonded to one F(10), one F(15), one F(21), one F(24), one F(3), and one F(32) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. In the twelfth Mn site, Mn(12) is bonded to one F(11), one F(16), one F(22), one F(23), one F(31), and one F(4) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(5) atom. There are thirty-two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(5) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(6) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(7) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(8) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(5) and one Mn(9) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mn(10) and one Mn(6) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(7) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(5) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(8) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(7) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(6) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(9) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(10) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(8) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(7) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one Mn(5) and one Mn(9) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one Mn(10) and one Mn(6) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(8) atom. In the twentieth F site, F(20) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(7) atom. In the twenty-first F site, F(21) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(3) atom. In the twenty-second F site, F(22) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(2) atom. In the twenty-third F site, F(23) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(2) atom. In the twenty-fourth F site, F(24) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(3) atom. In the twenty-fifth F site, F(25) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(10) atom. In the twenty-sixth F site, F(26) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(9) atom. In the twenty-seventh F site, F(27) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(9) atom. In the twenty-eighth F site, F(28) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(10) atom. In the twenty-ninth F site, F(29) is bonded in a bent 150 degrees geometry to one Mn(5) and one Mn(9) atom. In the thirtieth F site, F(30) is bonded in a bent 150 degrees geometry to one Mn(10) and one Mn(6) atom. In the thirty-first F site, F(31) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(2) atom. In the thirty-second F site, F(32) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn3OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.162
_cell_length_b   5.175
_cell_length_c   26.952
_cell_angle_alpha   89.120
_cell_angle_beta   88.989
_cell_angle_gamma   60.209
_symmetry_Int_Tables_number   1
_cell_volume   624.717
_cell_formula_units_Z   4
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  0.007  0.014  0.997  1.0
  Mn  Mn1  1  0.004  0.020  0.248  1.0
  Mn  Mn2  1  0.969  0.007  0.747  1.0
  Mn  Mn3  1  0.018  0.969  0.497  1.0
  Mn  Mn4  1  0.360  0.322  0.669  1.0
  Mn  Mn5  1  0.326  0.318  0.169  1.0
  Mn  Mn6  1  0.330  0.359  0.420  1.0
  Mn  Mn7  1  0.323  0.323  0.919  1.0
  Mn  Mn8  1  0.684  0.645  0.584  1.0
  Mn  Mn9  1  0.663  0.670  0.083  1.0
  Mn  Mn10  1  0.649  0.662  0.833  1.0
  Mn  Mn11  1  0.663  0.690  0.334  1.0
  O  O12  1  0.295  0.662  0.458  1.0
  O  O13  1  0.044  0.284  0.957  1.0
  O  O14  1  0.290  0.050  0.209  1.0
  O  O15  1  0.661  0.286  0.708  1.0
  F  F16  1  0.061  0.656  0.706  1.0
  F  F17  1  0.069  0.647  0.206  1.0
  F  F18  1  0.011  0.582  0.877  1.0
  F  F19  1  0.015  0.611  0.378  1.0
  F  F20  1  0.268  0.659  0.958  1.0
  F  F21  1  0.397  0.601  0.626  1.0
  F  F22  1  0.401  0.598  0.124  1.0
  F  F23  1  0.067  0.282  0.457  1.0
  F  F24  1  0.283  0.063  0.707  1.0
  F  F25  1  0.595  0.383  0.875  1.0
  F  F26  1  0.606  0.403  0.376  1.0
  F  F27  1  0.660  0.280  0.206  1.0
  F  F28  1  0.364  0.904  0.543  1.0
  F  F29  1  0.322  0.948  0.039  1.0
  F  F30  1  0.395  0.980  0.877  1.0
  F  F31  1  0.401  0.016  0.374  1.0
  F  F32  1  0.605  0.013  0.627  1.0
  F  F33  1  0.599  0.003  0.125  1.0
  F  F34  1  0.661  0.061  0.959  1.0
  F  F35  1  0.658  0.062  0.456  1.0
  F  F36  1  0.293  0.752  0.789  1.0
  F  F37  1  0.318  0.751  0.291  1.0
  F  F38  1  0.732  0.959  0.291  1.0
  F  F39  1  0.701  0.937  0.793  1.0
  F  F40  1  0.930  0.741  0.043  1.0
  F  F41  1  0.957  0.696  0.542  1.0
  F  F42  1  0.764  0.287  0.540  1.0
  F  F43  1  0.729  0.345  0.043  1.0
  F  F44  1  0.007  0.396  0.626  1.0
  F  F45  1  0.015  0.390  0.128  1.0
  F  F46  1  0.920  0.370  0.294  1.0
  F  F47  1  0.913  0.344  0.791  1.0
[/CIF]
.
The compound described by Mn3OF8 crystallizes in the triclinic P1 space group. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one F(14), one F(19), one F(25), one F(28), and one F(5) atom to form MnOF5 octahedra that share corners with three equivalent Mn(10)F6 octahedra and corners with three equivalent Mn(8)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the second Mn site, Mn(2) is bonded to one O(3), one F(12), one F(2), one F(22), one F(23), and one F(31) atom to form MnOF5 octahedra that share corners with three equivalent Mn(12)F6 octahedra and corners with three equivalent Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. In the third Mn site, Mn(3) is bonded to one O(4), one F(1), one F(21), one F(24), one F(32), and one F(9) atom to form MnOF5 octahedra that share corners with three equivalent Mn(11)F6 octahedra and corners with three equivalent Mn(5)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-40°. In the fourth Mn site, Mn(4) is bonded to one O(1), one F(13), one F(20), one F(26), one F(27), and one F(8) atom to form MnOF5 octahedra that share corners with three equivalent Mn(9)F6 octahedra and corners with three equivalent Mn(7)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. In the fifth Mn site, Mn(5) is bonded to one O(4), one F(1), one F(17), one F(29), one F(6), and one F(9) atom to form MnOF5 octahedra that share corners with three equivalent Mn(9)F6 octahedra and corners with three equivalent Mn(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. In the sixth Mn site, Mn(6) is bonded to one O(3), one F(12), one F(18), one F(2), one F(30), and one F(7) atom to form MnOF5 octahedra that share corners with three equivalent Mn(10)F6 octahedra and corners with three equivalent Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. In the seventh Mn site, Mn(7) is bonded to one O(1), one F(11), one F(16), one F(20), one F(4), and one F(8) atom to form MnOF5 octahedra that share corners with three equivalent Mn(12)F6 octahedra and corners with three equivalent Mn(4)OF5 octahedra. The corner-sharing octahedral tilt angles range from 29-40°. In the eighth Mn site, Mn(8) is bonded to one O(2), one F(10), one F(15), one F(19), one F(3), and one F(5) atom to form MnOF5 octahedra that share corners with three equivalent Mn(11)F6 octahedra and corners with three equivalent Mn(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the ninth Mn site, Mn(9) is bonded to one F(13), one F(17), one F(26), one F(27), one F(29), and one F(6) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 29-38°. In the tenth Mn site, Mn(10) is bonded to one F(14), one F(18), one F(25), one F(28), one F(30), and one F(7) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 29-34°. In the eleventh Mn site, Mn(11) is bonded to one F(10), one F(15), one F(21), one F(24), one F(3), and one F(32) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 28-34°. In the twelfth Mn site, Mn(12) is bonded to one F(11), one F(16), one F(22), one F(23), one F(31), and one F(4) atom to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(8) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(5) atom. There are thirty-two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(5) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(6) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(7) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(8) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mn(5) and one Mn(9) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mn(10) and one Mn(6) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(7) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one Mn(3) and one Mn(5) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(8) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(7) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one Mn(2) and one Mn(6) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(9) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(10) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(8) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(7) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one Mn(5) and one Mn(9) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one Mn(10) and one Mn(6) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(8) atom. In the twentieth F site, F(20) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(7) atom. In the twenty-first F site, F(21) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(3) atom. In the twenty-second F site, F(22) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(2) atom. In the twenty-third F site, F(23) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(2) atom. In the twenty-fourth F site, F(24) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(3) atom. In the twenty-fifth F site, F(25) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(10) atom. In the twenty-sixth F site, F(26) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(9) atom. In the twenty-seventh F site, F(27) is bonded in a bent 150 degrees geometry to one Mn(4) and one Mn(9) atom. In the twenty-eighth F site, F(28) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(10) atom. In the twenty-ninth F site, F(29) is bonded in a bent 150 degrees geometry to one Mn(5) and one Mn(9) atom. In the thirtieth F site, F(30) is bonded in a bent 150 degrees geometry to one Mn(10) and one Mn(6) atom. In the thirty-first F site, F(31) is bonded in a bent 150 degrees geometry to one Mn(12) and one Mn(2) atom. In the thirty-second F site, F(32) is bonded in a bent 150 degrees geometry to one Mn(11) and one Mn(3) atom. is represented by the CIF card [CIF]
data_Mn3OF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.162
_cell_length_b   5.175
_cell_length_c   26.952
_cell_angle_alpha   89.120
_cell_angle_beta   88.989
_cell_angle_gamma   60.209
_symmetry_Int_Tables_number   1
_cell_volume   624.717
_cell_formula_units_Z   4
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  0.007  0.014  0.997  1.0
  Mn  Mn1  1  0.004  0.020  0.248  1.0
  Mn  Mn2  1  0.969  0.007  0.747  1.0
  Mn  Mn3  1  0.018  0.969  0.497  1.0
  Mn  Mn4  1  0.360  0.322  0.669  1.0
  Mn  Mn5  1  0.326  0.318  0.169  1.0
  Mn  Mn6  1  0.330  0.359  0.420  1.0
  Mn  Mn7  1  0.323  0.323  0.919  1.0
  Mn  Mn8  1  0.684  0.645  0.584  1.0
  Mn  Mn9  1  0.663  0.670  0.083  1.0
  Mn  Mn10  1  0.649  0.662  0.833  1.0
  Mn  Mn11  1  0.663  0.690  0.334  1.0
  O  O12  1  0.295  0.662  0.458  1.0
  O  O13  1  0.044  0.284  0.957  1.0
  O  O14  1  0.290  0.050  0.209  1.0
  O  O15  1  0.661  0.286  0.708  1.0
  F  F16  1  0.061  0.656  0.706  1.0
  F  F17  1  0.069  0.647  0.206  1.0
  F  F18  1  0.011  0.582  0.877  1.0
  F  F19  1  0.015  0.611  0.378  1.0
  F  F20  1  0.268  0.659  0.958  1.0
  F  F21  1  0.397  0.601  0.626  1.0
  F  F22  1  0.401  0.598  0.124  1.0
  F  F23  1  0.067  0.282  0.457  1.0
  F  F24  1  0.283  0.063  0.707  1.0
  F  F25  1  0.595  0.383  0.875  1.0
  F  F26  1  0.606  0.403  0.376  1.0
  F  F27  1  0.660  0.280  0.206  1.0
  F  F28  1  0.364  0.904  0.543  1.0
  F  F29  1  0.322  0.948  0.039  1.0
  F  F30  1  0.395  0.980  0.877  1.0
  F  F31  1  0.401  0.016  0.374  1.0
  F  F32  1  0.605  0.013  0.627  1.0
  F  F33  1  0.599  0.003  0.125  1.0
  F  F34  1  0.661  0.061  0.959  1.0
  F  F35  1  0.658  0.062  0.456  1.0
  F  F36  1  0.293  0.752  0.789  1.0
  F  F37  1  0.318  0.751  0.291  1.0
  F  F38  1  0.732  0.959  0.291  1.0
  F  F39  1  0.701  0.937  0.793  1.0
  F  F40  1  0.930  0.741  0.043  1.0
  F  F41  1  0.957  0.696  0.542  1.0
  F  F42  1  0.764  0.287  0.540  1.0
  F  F43  1  0.729  0.345  0.043  1.0
  F  F44  1  0.007  0.396  0.626  1.0
  F  F45  1  0.015  0.390  0.128  1.0
  F  F46  1  0.920  0.370  0.294  1.0
  F  F47  1  0.913  0.344  0.791  1.0
[/CIF]
.