The compound described by BaVMnF7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(4), one F(5), one F(7), two equivalent F(2), two equivalent F(3), and two equivalent F(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(6), and two equivalent F(7) atoms to form VF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent F(3), two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form MnF6 octahedra that share corners with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one V(2), and one Mn(1) atom. In the second F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one V(2), and one Mn(1) atom. In the third F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(2), and one Mn(1) atom. In the fourth F site, F(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one V(1), and one Mn(1) atom. In the fifth F site, F(7) is bonded in a distorted trigonal planar geometry to one Ba(1), one V(1), and one V(2) atom. In the sixth F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one Mn(1) atom. In the seventh F site, F(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_BaMnVF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.493
_cell_length_b   7.493
_cell_length_c   15.209
_cell_angle_alpha   89.986
_cell_angle_beta   89.986
_cell_angle_gamma   41.619
_symmetry_Int_Tables_number   1
_cell_volume   567.099
_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  0.351  0.261  0.377  1.0
  Ba  Ba1  1  0.649  0.739  0.623  1.0
  Ba  Ba2  1  0.739  0.649  0.123  1.0
  Ba  Ba3  1  0.261  0.351  0.877  1.0
  Mn  Mn4  1  0.629  0.598  0.373  1.0
  Mn  Mn5  1  0.371  0.402  0.627  1.0
  Mn  Mn6  1  0.402  0.371  0.127  1.0
  Mn  Mn7  1  0.598  0.629  0.873  1.0
  V  V8  1  0.000  0.000  0.000  1.0
  V  V9  1  0.000  0.000  0.500  1.0
  V  V10  1  0.056  0.944  0.250  1.0
  V  V11  1  0.944  0.056  0.750  1.0
  F  F12  1  0.618  0.235  0.006  1.0
  F  F13  1  0.382  0.765  0.994  1.0
  F  F14  1  0.765  0.382  0.494  1.0
  F  F15  1  0.235  0.618  0.506  1.0
  F  F16  1  0.316  0.180  0.086  1.0
  F  F17  1  0.684  0.820  0.914  1.0
  F  F18  1  0.820  0.684  0.414  1.0
  F  F19  1  0.180  0.316  0.586  1.0
  F  F20  1  0.445  0.890  0.274  1.0
  F  F21  1  0.555  0.110  0.726  1.0
  F  F22  1  0.110  0.555  0.226  1.0
  F  F23  1  0.890  0.445  0.774  1.0
  F  F24  1  0.364  0.669  0.167  1.0
  F  F25  1  0.636  0.331  0.833  1.0
  F  F26  1  0.331  0.636  0.333  1.0
  F  F27  1  0.669  0.364  0.667  1.0
  F  F28  1  0.711  0.079  0.220  1.0
  F  F29  1  0.289  0.921  0.780  1.0
  F  F30  1  0.921  0.289  0.280  1.0
  F  F31  1  0.079  0.711  0.720  1.0
  F  F32  1  0.298  0.933  0.462  1.0
  F  F33  1  0.702  0.067  0.538  1.0
  F  F34  1  0.067  0.702  0.038  1.0
  F  F35  1  0.933  0.298  0.962  1.0
  F  F36  1  0.139  0.944  0.625  1.0
  F  F37  1  0.861  0.056  0.375  1.0
  F  F38  1  0.056  0.861  0.875  1.0
  F  F39  1  0.944  0.139  0.125  1.0
[/CIF]
.
The compound described by BaVMnF7 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(4), one F(5), one F(7), two equivalent F(2), two equivalent F(3), and two equivalent F(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent F(1), two equivalent F(6), and two equivalent F(7) atoms to form VF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second V site, V(2) is bonded in a 6-coordinate geometry to two equivalent F(3), two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form MnF6 octahedra that share corners with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one V(2), and one Mn(1) atom. In the second F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one V(2), and one Mn(1) atom. In the third F site, F(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(2), and one Mn(1) atom. In the fourth F site, F(6) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one V(1), and one Mn(1) atom. In the fifth F site, F(7) is bonded in a distorted trigonal planar geometry to one Ba(1), one V(1), and one V(2) atom. In the sixth F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one Mn(1) atom. In the seventh F site, F(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_BaMnVF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.493
_cell_length_b   7.493
_cell_length_c   15.209
_cell_angle_alpha   89.986
_cell_angle_beta   89.986
_cell_angle_gamma   41.619
_symmetry_Int_Tables_number   1
_cell_volume   567.099
_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  0.351  0.261  0.377  1.0
  Ba  Ba1  1  0.649  0.739  0.623  1.0
  Ba  Ba2  1  0.739  0.649  0.123  1.0
  Ba  Ba3  1  0.261  0.351  0.877  1.0
  Mn  Mn4  1  0.629  0.598  0.373  1.0
  Mn  Mn5  1  0.371  0.402  0.627  1.0
  Mn  Mn6  1  0.402  0.371  0.127  1.0
  Mn  Mn7  1  0.598  0.629  0.873  1.0
  V  V8  1  0.000  0.000  0.000  1.0
  V  V9  1  0.000  0.000  0.500  1.0
  V  V10  1  0.056  0.944  0.250  1.0
  V  V11  1  0.944  0.056  0.750  1.0
  F  F12  1  0.618  0.235  0.006  1.0
  F  F13  1  0.382  0.765  0.994  1.0
  F  F14  1  0.765  0.382  0.494  1.0
  F  F15  1  0.235  0.618  0.506  1.0
  F  F16  1  0.316  0.180  0.086  1.0
  F  F17  1  0.684  0.820  0.914  1.0
  F  F18  1  0.820  0.684  0.414  1.0
  F  F19  1  0.180  0.316  0.586  1.0
  F  F20  1  0.445  0.890  0.274  1.0
  F  F21  1  0.555  0.110  0.726  1.0
  F  F22  1  0.110  0.555  0.226  1.0
  F  F23  1  0.890  0.445  0.774  1.0
  F  F24  1  0.364  0.669  0.167  1.0
  F  F25  1  0.636  0.331  0.833  1.0
  F  F26  1  0.331  0.636  0.333  1.0
  F  F27  1  0.669  0.364  0.667  1.0
  F  F28  1  0.711  0.079  0.220  1.0
  F  F29  1  0.289  0.921  0.780  1.0
  F  F30  1  0.921  0.289  0.280  1.0
  F  F31  1  0.079  0.711  0.720  1.0
  F  F32  1  0.298  0.933  0.462  1.0
  F  F33  1  0.702  0.067  0.538  1.0
  F  F34  1  0.067  0.702  0.038  1.0
  F  F35  1  0.933  0.298  0.962  1.0
  F  F36  1  0.139  0.944  0.625  1.0
  F  F37  1  0.861  0.056  0.375  1.0
  F  F38  1  0.056  0.861  0.875  1.0
  F  F39  1  0.944  0.139  0.125  1.0
[/CIF]
.