The compound described by Ba7MnFe6F34 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(3), one F(6), one F(7), one F(8), one F(9), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(4), two equivalent F(6), two equivalent F(7), and two equivalent F(8) atoms. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to two equivalent F(2), four equivalent F(7), and four equivalent F(9) atoms. Mn(1) is bonded to two equivalent F(1) and four equivalent F(10) atoms to form MnF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form FeF6 octahedra that share  a cornercorner with one Mn(1)F6 octahedra and  a cornercorner with one Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles are 37°. In the second Fe site, Fe(2) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are ten inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Fe(2) atom. In the second F site, F(4) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Fe(2) atom. In the third F site, F(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the fourth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Fe(1) atom. In the fifth F site, F(7) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one Fe(1) atom. In the sixth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Fe(1) atom. In the seventh F site, F(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Fe(1) atom. In the eighth F site, F(10) is bonded in a 2-coordinate geometry to one Ba(1), one Mn(1), and one Fe(1) atom. In the ninth F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Mn(1) atom. In the tenth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(3) and one Fe(2) atom. is represented by the CIF card [CIF]
data_Ba7MnFe6F34
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.427
_cell_length_b   10.427
_cell_length_c   7.847
_cell_angle_alpha   79.893
_cell_angle_beta   79.893
_cell_angle_gamma   67.541
_symmetry_Int_Tables_number   1
_cell_volume   770.628
_cell_formula_units_Z   1
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  0.160  0.555  0.296  1.0
  Ba  Ba1  1  0.445  0.840  0.704  1.0
  Ba  Ba2  1  0.840  0.445  0.704  1.0
  Ba  Ba3  1  0.555  0.160  0.296  1.0
  Ba  Ba4  1  0.262  0.262  0.875  1.0
  Ba  Ba5  1  0.738  0.738  0.125  1.0
  Ba  Ba6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.500  0.500  0.500  1.0
  Fe  Fe8  1  0.353  0.866  0.201  1.0
  Fe  Fe9  1  0.866  0.353  0.201  1.0
  Fe  Fe10  1  0.647  0.134  0.799  1.0
  Fe  Fe11  1  0.172  0.172  0.460  1.0
  Fe  Fe12  1  0.828  0.828  0.540  1.0
  Fe  Fe13  1  0.134  0.647  0.799  1.0
  F  F14  1  0.432  0.432  0.314  1.0
  F  F15  1  0.568  0.568  0.686  1.0
  F  F16  1  0.108  0.108  0.694  1.0
  F  F17  1  0.892  0.892  0.306  1.0
  F  F18  1  0.251  0.251  0.240  1.0
  F  F19  1  0.749  0.749  0.760  1.0
  F  F20  1  0.882  0.647  0.455  1.0
  F  F21  1  0.353  0.118  0.545  1.0
  F  F22  1  0.118  0.353  0.545  1.0
  F  F23  1  0.647  0.882  0.455  1.0
  F  F24  1  0.014  0.770  0.617  1.0
  F  F25  1  0.230  0.986  0.383  1.0
  F  F26  1  0.986  0.230  0.383  1.0
  F  F27  1  0.770  0.014  0.617  1.0
  F  F28  1  0.490  0.753  0.033  1.0
  F  F29  1  0.247  0.510  0.967  1.0
  F  F30  1  0.510  0.247  0.967  1.0
  F  F31  1  0.753  0.490  0.033  1.0
  F  F32  1  0.736  0.998  0.994  1.0
  F  F33  1  0.002  0.264  0.006  1.0
  F  F34  1  0.264  0.002  0.006  1.0
  F  F35  1  0.998  0.736  0.994  1.0
  F  F36  1  0.483  0.959  0.196  1.0
  F  F37  1  0.041  0.517  0.804  1.0
  F  F38  1  0.517  0.041  0.804  1.0
  F  F39  1  0.959  0.483  0.196  1.0
  F  F40  1  0.789  0.210  0.797  1.0
  F  F41  1  0.790  0.211  0.203  1.0
  F  F42  1  0.211  0.790  0.203  1.0
  F  F43  1  0.210  0.789  0.797  1.0
  F  F44  1  0.447  0.724  0.389  1.0
  F  F45  1  0.276  0.553  0.611  1.0
  F  F46  1  0.553  0.276  0.611  1.0
  F  F47  1  0.724  0.447  0.389  1.0
[/CIF]
.
The compound described by Ba7MnFe6F34 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one F(1), one F(10), one F(3), one F(6), one F(7), one F(8), one F(9), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one F(3), two equivalent F(4), two equivalent F(6), two equivalent F(7), and two equivalent F(8) atoms. In the third Ba site, Ba(3) is bonded in a distorted q6 geometry to two equivalent F(2), four equivalent F(7), and four equivalent F(9) atoms. Mn(1) is bonded to two equivalent F(1) and four equivalent F(10) atoms to form MnF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one F(10), one F(5), one F(6), one F(7), one F(8), and one F(9) atom to form FeF6 octahedra that share  a cornercorner with one Mn(1)F6 octahedra and  a cornercorner with one Fe(2)F6 octahedra. The corner-sharing octahedral tilt angles are 37°. In the second Fe site, Fe(2) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are ten inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one Fe(2) atom. In the second F site, F(4) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Fe(2) atom. In the third F site, F(5) is bonded in a bent 150 degrees geometry to one Fe(1) and one Fe(2) atom. In the fourth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Fe(1) atom. In the fifth F site, F(7) is bonded in a 1-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), and one Fe(1) atom. In the sixth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Fe(1) atom. In the seventh F site, F(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), and one Fe(1) atom. In the eighth F site, F(10) is bonded in a 2-coordinate geometry to one Ba(1), one Mn(1), and one Fe(1) atom. In the ninth F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Mn(1) atom. In the tenth F site, F(2) is bonded in a distorted single-bond geometry to one Ba(3) and one Fe(2) atom. is represented by the CIF card [CIF]
data_Ba7MnFe6F34
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.427
_cell_length_b   10.427
_cell_length_c   7.847
_cell_angle_alpha   79.893
_cell_angle_beta   79.893
_cell_angle_gamma   67.541
_symmetry_Int_Tables_number   1
_cell_volume   770.628
_cell_formula_units_Z   1
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  0.160  0.555  0.296  1.0
  Ba  Ba1  1  0.445  0.840  0.704  1.0
  Ba  Ba2  1  0.840  0.445  0.704  1.0
  Ba  Ba3  1  0.555  0.160  0.296  1.0
  Ba  Ba4  1  0.262  0.262  0.875  1.0
  Ba  Ba5  1  0.738  0.738  0.125  1.0
  Ba  Ba6  1  0.000  0.000  0.000  1.0
  Mn  Mn7  1  0.500  0.500  0.500  1.0
  Fe  Fe8  1  0.353  0.866  0.201  1.0
  Fe  Fe9  1  0.866  0.353  0.201  1.0
  Fe  Fe10  1  0.647  0.134  0.799  1.0
  Fe  Fe11  1  0.172  0.172  0.460  1.0
  Fe  Fe12  1  0.828  0.828  0.540  1.0
  Fe  Fe13  1  0.134  0.647  0.799  1.0
  F  F14  1  0.432  0.432  0.314  1.0
  F  F15  1  0.568  0.568  0.686  1.0
  F  F16  1  0.108  0.108  0.694  1.0
  F  F17  1  0.892  0.892  0.306  1.0
  F  F18  1  0.251  0.251  0.240  1.0
  F  F19  1  0.749  0.749  0.760  1.0
  F  F20  1  0.882  0.647  0.455  1.0
  F  F21  1  0.353  0.118  0.545  1.0
  F  F22  1  0.118  0.353  0.545  1.0
  F  F23  1  0.647  0.882  0.455  1.0
  F  F24  1  0.014  0.770  0.617  1.0
  F  F25  1  0.230  0.986  0.383  1.0
  F  F26  1  0.986  0.230  0.383  1.0
  F  F27  1  0.770  0.014  0.617  1.0
  F  F28  1  0.490  0.753  0.033  1.0
  F  F29  1  0.247  0.510  0.967  1.0
  F  F30  1  0.510  0.247  0.967  1.0
  F  F31  1  0.753  0.490  0.033  1.0
  F  F32  1  0.736  0.998  0.994  1.0
  F  F33  1  0.002  0.264  0.006  1.0
  F  F34  1  0.264  0.002  0.006  1.0
  F  F35  1  0.998  0.736  0.994  1.0
  F  F36  1  0.483  0.959  0.196  1.0
  F  F37  1  0.041  0.517  0.804  1.0
  F  F38  1  0.517  0.041  0.804  1.0
  F  F39  1  0.959  0.483  0.196  1.0
  F  F40  1  0.789  0.210  0.797  1.0
  F  F41  1  0.790  0.211  0.203  1.0
  F  F42  1  0.211  0.790  0.203  1.0
  F  F43  1  0.210  0.789  0.797  1.0
  F  F44  1  0.447  0.724  0.389  1.0
  F  F45  1  0.276  0.553  0.611  1.0
  F  F46  1  0.553  0.276  0.611  1.0
  F  F47  1  0.724  0.447  0.389  1.0
[/CIF]
.