The compound described by BaMnFeF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(2), one F(5), one F(6), two equivalent F(3), two equivalent F(4), two equivalent F(7), and three equivalent F(1) atoms. Mn(1) is bonded to one F(2), one F(3), one F(5), one F(7), and two equivalent F(6) atoms to form MnF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra and  an edgeedge with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. Fe(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form FeF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are seven inequivalent F sites. In the first F site, F(6) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Mn(1) atoms. In the second F site, F(7) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mn(1), and one Fe(1) atom. In the third F site, F(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Fe(1) atom. In the fourth F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mn(1), and one Fe(1) atom. In the fifth F site, F(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Mn(1), and one Fe(1) atom. In the sixth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Fe(1) atom. In the seventh F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one Fe(1) atom. is represented by the CIF card [CIF]
data_BaMnFeF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.136
_cell_length_b   5.658
_cell_length_c   9.354
_cell_angle_alpha   85.267
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.353
_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
  Ba  Ba0  1  0.669  0.235  0.460  1.0
  Ba  Ba1  1  0.169  0.765  0.040  1.0
  Ba  Ba2  1  0.331  0.765  0.540  1.0
  Ba  Ba3  1  0.831  0.235  0.960  1.0
  Mn  Mn4  1  0.436  0.184  0.881  1.0
  Mn  Mn5  1  0.936  0.816  0.619  1.0
  Mn  Mn6  1  0.064  0.184  0.381  1.0
  Mn  Mn7  1  0.564  0.816  0.119  1.0
  Fe  Fe8  1  0.620  0.691  0.735  1.0
  Fe  Fe9  1  0.380  0.309  0.265  1.0
  Fe  Fe10  1  0.120  0.309  0.765  1.0
  Fe  Fe11  1  0.880  0.691  0.235  1.0
  F  F12  1  0.905  0.706  0.027  1.0
  F  F13  1  0.405  0.294  0.473  1.0
  F  F14  1  0.095  0.294  0.973  1.0
  F  F15  1  0.595  0.706  0.527  1.0
  F  F16  1  0.146  0.345  0.559  1.0
  F  F17  1  0.646  0.655  0.941  1.0
  F  F18  1  0.854  0.655  0.441  1.0
  F  F19  1  0.354  0.345  0.059  1.0
  F  F20  1  0.238  0.104  0.289  1.0
  F  F21  1  0.738  0.896  0.211  1.0
  F  F22  1  0.762  0.896  0.711  1.0
  F  F23  1  0.262  0.104  0.789  1.0
  F  F24  1  0.713  0.406  0.718  1.0
  F  F25  1  0.213  0.594  0.782  1.0
  F  F26  1  0.287  0.594  0.282  1.0
  F  F27  1  0.787  0.406  0.218  1.0
  F  F28  1  0.970  0.496  0.746  1.0
  F  F29  1  0.470  0.504  0.754  1.0
  F  F30  1  0.030  0.504  0.254  1.0
  F  F31  1  0.530  0.496  0.246  1.0
  F  F32  1  0.602  0.138  0.990  1.0
  F  F33  1  0.102  0.862  0.510  1.0
  F  F34  1  0.398  0.862  0.010  1.0
  F  F35  1  0.898  0.138  0.490  1.0
  F  F36  1  0.515  0.977  0.718  1.0
  F  F37  1  0.015  0.023  0.782  1.0
  F  F38  1  0.485  0.023  0.282  1.0
  F  F39  1  0.985  0.977  0.218  1.0
[/CIF]
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The compound described by BaMnFeF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(2), one F(5), one F(6), two equivalent F(3), two equivalent F(4), two equivalent F(7), and three equivalent F(1) atoms. Mn(1) is bonded to one F(2), one F(3), one F(5), one F(7), and two equivalent F(6) atoms to form MnF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra and  an edgeedge with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. Fe(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form FeF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are seven inequivalent F sites. In the first F site, F(6) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Mn(1) atoms. In the second F site, F(7) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mn(1), and one Fe(1) atom. In the third F site, F(1) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Fe(1) atom. In the fourth F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mn(1), and one Fe(1) atom. In the fifth F site, F(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Mn(1), and one Fe(1) atom. In the sixth F site, F(4) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Fe(1) atom. In the seventh F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one Fe(1) atom. is represented by the CIF card [CIF]
data_BaMnFeF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.136
_cell_length_b   5.658
_cell_length_c   9.354
_cell_angle_alpha   85.267
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   587.353
_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
  Ba  Ba0  1  0.669  0.235  0.460  1.0
  Ba  Ba1  1  0.169  0.765  0.040  1.0
  Ba  Ba2  1  0.331  0.765  0.540  1.0
  Ba  Ba3  1  0.831  0.235  0.960  1.0
  Mn  Mn4  1  0.436  0.184  0.881  1.0
  Mn  Mn5  1  0.936  0.816  0.619  1.0
  Mn  Mn6  1  0.064  0.184  0.381  1.0
  Mn  Mn7  1  0.564  0.816  0.119  1.0
  Fe  Fe8  1  0.620  0.691  0.735  1.0
  Fe  Fe9  1  0.380  0.309  0.265  1.0
  Fe  Fe10  1  0.120  0.309  0.765  1.0
  Fe  Fe11  1  0.880  0.691  0.235  1.0
  F  F12  1  0.905  0.706  0.027  1.0
  F  F13  1  0.405  0.294  0.473  1.0
  F  F14  1  0.095  0.294  0.973  1.0
  F  F15  1  0.595  0.706  0.527  1.0
  F  F16  1  0.146  0.345  0.559  1.0
  F  F17  1  0.646  0.655  0.941  1.0
  F  F18  1  0.854  0.655  0.441  1.0
  F  F19  1  0.354  0.345  0.059  1.0
  F  F20  1  0.238  0.104  0.289  1.0
  F  F21  1  0.738  0.896  0.211  1.0
  F  F22  1  0.762  0.896  0.711  1.0
  F  F23  1  0.262  0.104  0.789  1.0
  F  F24  1  0.713  0.406  0.718  1.0
  F  F25  1  0.213  0.594  0.782  1.0
  F  F26  1  0.287  0.594  0.282  1.0
  F  F27  1  0.787  0.406  0.218  1.0
  F  F28  1  0.970  0.496  0.746  1.0
  F  F29  1  0.470  0.504  0.754  1.0
  F  F30  1  0.030  0.504  0.254  1.0
  F  F31  1  0.530  0.496  0.246  1.0
  F  F32  1  0.602  0.138  0.990  1.0
  F  F33  1  0.102  0.862  0.510  1.0
  F  F34  1  0.398  0.862  0.010  1.0
  F  F35  1  0.898  0.138  0.490  1.0
  F  F36  1  0.515  0.977  0.718  1.0
  F  F37  1  0.015  0.023  0.782  1.0
  F  F38  1  0.485  0.023  0.282  1.0
  F  F39  1  0.985  0.977  0.218  1.0
[/CIF]
.