The material described by Ba2Mn2F11 crystallizes in the trigonal P3_2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one F(10), one F(11), one F(2), one F(3), one F(6), one F(7), one F(8), two equivalent F(4), and two equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(7) atom to form distorted corner-sharing MnF5 square pyramids. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form corner-sharing MnF6 octahedra. There are eleven inequivalent F sites. In the first F site, F(11) is bonded in a distorted single-bond geometry to one Ba(1) and one Mn(2) atom. In the second F site, F(1) is bonded in a bent 120 degrees geometry to one Ba(2), one Mn(1), and one Mn(2) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Mn(1) atom. In the fourth F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Mn(1) atom. In the fifth F site, F(4) is bonded in a single-bond geometry to one Ba(2), two equivalent Ba(1), and one Mn(1) atom. In the sixth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and two equivalent Ba(1) atoms. In the seventh F site, F(6) is bonded in a single-bond geometry to one Ba(1) and one Mn(2) atom. In the eighth F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Mn(1) atom. In the ninth F site, F(8) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one Mn(2) atom. In the tenth F site, F(9) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and one Mn(2) atom. In the eleventh F site, F(10) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Ba2Mn2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.736
_cell_length_b   7.736
_cell_length_c   14.088
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   730.138
_cell_formula_units_Z   3
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
  Ba  Ba0  1  0.538  0.164  0.663  1.0
  Ba  Ba1  1  0.149  0.413  0.815  1.0
  Ba  Ba2  1  0.625  0.462  0.996  1.0
  Ba  Ba3  1  0.587  0.736  0.482  1.0
  Ba  Ba4  1  0.264  0.851  0.149  1.0
  Ba  Ba5  1  0.836  0.375  0.330  1.0
  Mn  Mn6  1  0.540  0.961  0.907  1.0
  Mn  Mn7  1  0.850  0.804  0.722  1.0
  Mn  Mn8  1  0.196  0.046  0.389  1.0
  Mn  Mn9  1  0.421  0.460  0.240  1.0
  Mn  Mn10  1  0.954  0.150  0.055  1.0
  Mn  Mn11  1  0.039  0.579  0.574  1.0
  F  F12  1  0.678  0.046  0.031  1.0
  F  F13  1  0.441  0.697  0.946  1.0
  F  F14  1  0.369  0.322  0.364  1.0
  F  F15  1  0.135  0.516  0.467  1.0
  F  F16  1  0.522  0.301  0.191  1.0
  F  F17  1  0.926  0.577  0.176  1.0
  F  F18  1  0.484  0.619  0.134  1.0
  F  F19  1  0.423  0.349  0.843  1.0
  F  F20  1  0.779  0.478  0.525  1.0
  F  F21  1  0.219  0.256  0.079  1.0
  F  F22  1  0.381  0.865  0.800  1.0
  F  F23  1  0.954  0.631  0.698  1.0
  F  F24  1  0.360  0.024  0.985  1.0
  F  F25  1  0.996  0.400  0.014  1.0
  F  F26  1  0.665  0.640  0.318  1.0
  F  F27  1  0.303  0.743  0.612  1.0
  F  F28  1  0.976  0.101  0.930  1.0
  F  F29  1  0.037  0.781  0.413  1.0
  F  F30  1  0.991  0.092  0.414  1.0
  F  F31  1  0.976  0.335  0.651  1.0
  F  F32  1  0.101  0.009  0.748  1.0
  F  F33  1  0.600  0.596  0.681  1.0
  F  F34  1  0.404  0.004  0.348  1.0
  F  F35  1  0.126  0.024  0.263  1.0
  F  F36  1  0.744  0.963  0.746  1.0
  F  F37  1  0.699  0.221  0.858  1.0
  F  F38  1  0.257  0.559  0.279  1.0
  F  F39  1  0.811  0.711  0.845  1.0
  F  F40  1  0.900  0.189  0.178  1.0
  F  F41  1  0.908  0.899  0.081  1.0
  F  F42  1  0.651  0.074  0.510  1.0
  F  F43  1  0.899  0.874  0.597  1.0
  F  F44  1  0.289  0.100  0.511  1.0
[/CIF]
.
The material described by Ba2Mn2F11 crystallizes in the trigonal P3_2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one F(10), one F(11), one F(2), one F(3), one F(6), one F(7), one F(8), two equivalent F(4), and two equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(2), one F(3), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(7) atom to form distorted corner-sharing MnF5 square pyramids. The corner-sharing octahedral tilt angles are 53°. In the second Mn site, Mn(2) is bonded to one F(1), one F(10), one F(11), one F(6), one F(8), and one F(9) atom to form corner-sharing MnF6 octahedra. There are eleven inequivalent F sites. In the first F site, F(11) is bonded in a distorted single-bond geometry to one Ba(1) and one Mn(2) atom. In the second F site, F(1) is bonded in a bent 120 degrees geometry to one Ba(2), one Mn(1), and one Mn(2) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Mn(1) atom. In the fourth F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Mn(1) atom. In the fifth F site, F(4) is bonded in a single-bond geometry to one Ba(2), two equivalent Ba(1), and one Mn(1) atom. In the sixth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and two equivalent Ba(1) atoms. In the seventh F site, F(6) is bonded in a single-bond geometry to one Ba(1) and one Mn(2) atom. In the eighth F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Mn(1) atom. In the ninth F site, F(8) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one Mn(2) atom. In the tenth F site, F(9) is bonded in a distorted bent 120 degrees geometry to one Ba(2) and one Mn(2) atom. In the eleventh F site, F(10) is bonded in a single-bond geometry to one Ba(1), one Ba(2), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Ba2Mn2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.736
_cell_length_b   7.736
_cell_length_c   14.088
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   730.138
_cell_formula_units_Z   3
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
  Ba  Ba0  1  0.538  0.164  0.663  1.0
  Ba  Ba1  1  0.149  0.413  0.815  1.0
  Ba  Ba2  1  0.625  0.462  0.996  1.0
  Ba  Ba3  1  0.587  0.736  0.482  1.0
  Ba  Ba4  1  0.264  0.851  0.149  1.0
  Ba  Ba5  1  0.836  0.375  0.330  1.0
  Mn  Mn6  1  0.540  0.961  0.907  1.0
  Mn  Mn7  1  0.850  0.804  0.722  1.0
  Mn  Mn8  1  0.196  0.046  0.389  1.0
  Mn  Mn9  1  0.421  0.460  0.240  1.0
  Mn  Mn10  1  0.954  0.150  0.055  1.0
  Mn  Mn11  1  0.039  0.579  0.574  1.0
  F  F12  1  0.678  0.046  0.031  1.0
  F  F13  1  0.441  0.697  0.946  1.0
  F  F14  1  0.369  0.322  0.364  1.0
  F  F15  1  0.135  0.516  0.467  1.0
  F  F16  1  0.522  0.301  0.191  1.0
  F  F17  1  0.926  0.577  0.176  1.0
  F  F18  1  0.484  0.619  0.134  1.0
  F  F19  1  0.423  0.349  0.843  1.0
  F  F20  1  0.779  0.478  0.525  1.0
  F  F21  1  0.219  0.256  0.079  1.0
  F  F22  1  0.381  0.865  0.800  1.0
  F  F23  1  0.954  0.631  0.698  1.0
  F  F24  1  0.360  0.024  0.985  1.0
  F  F25  1  0.996  0.400  0.014  1.0
  F  F26  1  0.665  0.640  0.318  1.0
  F  F27  1  0.303  0.743  0.612  1.0
  F  F28  1  0.976  0.101  0.930  1.0
  F  F29  1  0.037  0.781  0.413  1.0
  F  F30  1  0.991  0.092  0.414  1.0
  F  F31  1  0.976  0.335  0.651  1.0
  F  F32  1  0.101  0.009  0.748  1.0
  F  F33  1  0.600  0.596  0.681  1.0
  F  F34  1  0.404  0.004  0.348  1.0
  F  F35  1  0.126  0.024  0.263  1.0
  F  F36  1  0.744  0.963  0.746  1.0
  F  F37  1  0.699  0.221  0.858  1.0
  F  F38  1  0.257  0.559  0.279  1.0
  F  F39  1  0.811  0.711  0.845  1.0
  F  F40  1  0.900  0.189  0.178  1.0
  F  F41  1  0.908  0.899  0.081  1.0
  F  F42  1  0.651  0.074  0.510  1.0
  F  F43  1  0.899  0.874  0.597  1.0
  F  F44  1  0.289  0.100  0.511  1.0
[/CIF]
.