The structure described by Ba2CaV2FeF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to one F(3), one F(4), one F(6), two equivalent F(1), two equivalent F(2), two equivalent F(5), and two equivalent F(7) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(4), and two equivalent F(6) atoms. V(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 VF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. Fe(1) is bonded to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms to form FeF6 octahedra that share corners with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and one Fe(1) atom. In the second F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one V(1) atom. In the third F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one V(1), and one Fe(1) atom. In the fourth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Fe(1) atom. In the fifth F site, F(7) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the sixth F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ca(1), and one V(1) atom. In the seventh F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one V(1) atom. is represented by the CIF file [CIF]
data_Ba2CaV2FeF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.479
_cell_length_b   7.479
_cell_length_c   15.243
_cell_angle_alpha   88.702
_cell_angle_beta   88.702
_cell_angle_gamma   42.785
_symmetry_Int_Tables_number   1
_cell_volume   579.007
_cell_formula_units_Z   2
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  0.645  0.736  0.878  1.0
  Ba  Ba1  1  0.355  0.264  0.122  1.0
  Ba  Ba2  1  0.264  0.355  0.622  1.0
  Ba  Ba3  1  0.736  0.645  0.378  1.0
  Ca  Ca4  1  0.946  0.054  0.750  1.0
  Ca  Ca5  1  0.054  0.946  0.250  1.0
  V  V6  1  0.620  0.620  0.624  1.0
  V  V7  1  0.380  0.380  0.376  1.0
  V  V8  1  0.380  0.380  0.876  1.0
  V  V9  1  0.620  0.620  0.124  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.000  0.000  0.000  1.0
  F  F12  1  0.341  0.908  0.704  1.0
  F  F13  1  0.659  0.092  0.296  1.0
  F  F14  1  0.092  0.659  0.796  1.0
  F  F15  1  0.908  0.341  0.204  1.0
  F  F16  1  0.552  0.125  0.777  1.0
  F  F17  1  0.448  0.875  0.223  1.0
  F  F18  1  0.875  0.448  0.723  1.0
  F  F19  1  0.125  0.552  0.277  1.0
  F  F20  1  0.400  0.770  0.516  1.0
  F  F21  1  0.600  0.230  0.484  1.0
  F  F22  1  0.230  0.600  0.984  1.0
  F  F23  1  0.770  0.400  0.016  1.0
  F  F24  1  0.582  0.397  0.658  1.0
  F  F25  1  0.418  0.603  0.342  1.0
  F  F26  1  0.603  0.418  0.842  1.0
  F  F27  1  0.397  0.582  0.158  1.0
  F  F28  1  0.669  0.074  0.953  1.0
  F  F29  1  0.331  0.926  0.047  1.0
  F  F30  1  0.926  0.331  0.547  1.0
  F  F31  1  0.074  0.669  0.453  1.0
  F  F32  1  0.857  0.034  0.120  1.0
  F  F33  1  0.143  0.966  0.880  1.0
  F  F34  1  0.966  0.143  0.380  1.0
  F  F35  1  0.034  0.857  0.620  1.0
  F  F36  1  0.694  0.812  0.590  1.0
  F  F37  1  0.306  0.188  0.410  1.0
  F  F38  1  0.188  0.306  0.910  1.0
  F  F39  1  0.812  0.694  0.090  1.0
[/CIF]
.
The structure described by Ba2CaV2FeF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 11-coordinate geometry to one F(3), one F(4), one F(6), two equivalent F(1), two equivalent F(2), two equivalent F(5), and two equivalent F(7) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(4), and two equivalent F(6) atoms. V(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 VF6 octahedra that share corners with two equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. Fe(1) is bonded to two equivalent F(3), two equivalent F(5), and two equivalent F(6) atoms to form FeF6 octahedra that share corners with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a 3-coordinate geometry to one Ba(1), one V(1), and one Fe(1) atom. In the second F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one V(1) atom. In the third F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one V(1), and one Fe(1) atom. In the fourth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Fe(1) atom. In the fifth F site, F(7) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one V(1) atom. In the sixth F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Ca(1), and one V(1) atom. In the seventh F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one V(1) atom. is represented by the CIF file [CIF]
data_Ba2CaV2FeF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.479
_cell_length_b   7.479
_cell_length_c   15.243
_cell_angle_alpha   88.702
_cell_angle_beta   88.702
_cell_angle_gamma   42.785
_symmetry_Int_Tables_number   1
_cell_volume   579.007
_cell_formula_units_Z   2
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  0.645  0.736  0.878  1.0
  Ba  Ba1  1  0.355  0.264  0.122  1.0
  Ba  Ba2  1  0.264  0.355  0.622  1.0
  Ba  Ba3  1  0.736  0.645  0.378  1.0
  Ca  Ca4  1  0.946  0.054  0.750  1.0
  Ca  Ca5  1  0.054  0.946  0.250  1.0
  V  V6  1  0.620  0.620  0.624  1.0
  V  V7  1  0.380  0.380  0.376  1.0
  V  V8  1  0.380  0.380  0.876  1.0
  V  V9  1  0.620  0.620  0.124  1.0
  Fe  Fe10  1  0.000  0.000  0.500  1.0
  Fe  Fe11  1  0.000  0.000  0.000  1.0
  F  F12  1  0.341  0.908  0.704  1.0
  F  F13  1  0.659  0.092  0.296  1.0
  F  F14  1  0.092  0.659  0.796  1.0
  F  F15  1  0.908  0.341  0.204  1.0
  F  F16  1  0.552  0.125  0.777  1.0
  F  F17  1  0.448  0.875  0.223  1.0
  F  F18  1  0.875  0.448  0.723  1.0
  F  F19  1  0.125  0.552  0.277  1.0
  F  F20  1  0.400  0.770  0.516  1.0
  F  F21  1  0.600  0.230  0.484  1.0
  F  F22  1  0.230  0.600  0.984  1.0
  F  F23  1  0.770  0.400  0.016  1.0
  F  F24  1  0.582  0.397  0.658  1.0
  F  F25  1  0.418  0.603  0.342  1.0
  F  F26  1  0.603  0.418  0.842  1.0
  F  F27  1  0.397  0.582  0.158  1.0
  F  F28  1  0.669  0.074  0.953  1.0
  F  F29  1  0.331  0.926  0.047  1.0
  F  F30  1  0.926  0.331  0.547  1.0
  F  F31  1  0.074  0.669  0.453  1.0
  F  F32  1  0.857  0.034  0.120  1.0
  F  F33  1  0.143  0.966  0.880  1.0
  F  F34  1  0.966  0.143  0.380  1.0
  F  F35  1  0.034  0.857  0.620  1.0
  F  F36  1  0.694  0.812  0.590  1.0
  F  F37  1  0.306  0.188  0.410  1.0
  F  F38  1  0.188  0.306  0.910  1.0
  F  F39  1  0.812  0.694  0.090  1.0
[/CIF]
.