The structure described by Ba2CaFe2CoF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(2), one F(4), one F(5), two equivalent F(1), two equivalent F(6), two equivalent F(7), and three equivalent F(3) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. Fe(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form FeF6 octahedra that share corners with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Co(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form CoF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Fe(1) atom. In the second F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Co(1) atom. In the third F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Fe(1) atom. In the fourth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Fe(1) atom. In the fifth F site, F(7) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Co(1) atom. In the sixth F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Ca(1), and one Fe(1) atom. In the seventh F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_Ba2CaFe2CoF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.473
_cell_length_b   7.473
_cell_length_c   15.075
_cell_angle_alpha   88.805
_cell_angle_beta   88.805
_cell_angle_gamma   42.630
_symmetry_Int_Tables_number   1
_cell_volume   570.010
_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  0.739  0.880  1.0
  Ba  Ba1  1  0.355  0.261  0.120  1.0
  Ba  Ba2  1  0.261  0.355  0.620  1.0
  Ba  Ba3  1  0.739  0.645  0.380  1.0
  Ca  Ca4  1  0.942  0.058  0.750  1.0
  Ca  Ca5  1  0.058  0.942  0.250  1.0
  Fe  Fe6  1  0.611  0.624  0.623  1.0
  Fe  Fe7  1  0.389  0.376  0.377  1.0
  Fe  Fe8  1  0.376  0.389  0.877  1.0
  Fe  Fe9  1  0.624  0.611  0.123  1.0
  Co  Co10  1  0.000  0.000  0.500  1.0
  Co  Co11  1  0.000  0.000  0.000  1.0
  F  F12  1  0.339  0.911  0.703  1.0
  F  F13  1  0.661  0.089  0.297  1.0
  F  F14  1  0.089  0.661  0.797  1.0
  F  F15  1  0.911  0.339  0.203  1.0
  F  F16  1  0.395  0.769  0.516  1.0
  F  F17  1  0.605  0.231  0.484  1.0
  F  F18  1  0.231  0.605  0.984  1.0
  F  F19  1  0.769  0.395  0.016  1.0
  F  F20  1  0.694  0.807  0.586  1.0
  F  F21  1  0.306  0.193  0.414  1.0
  F  F22  1  0.193  0.306  0.914  1.0
  F  F23  1  0.807  0.694  0.086  1.0
  F  F24  1  0.862  0.026  0.119  1.0
  F  F25  1  0.138  0.974  0.881  1.0
  F  F26  1  0.974  0.138  0.381  1.0
  F  F27  1  0.026  0.862  0.619  1.0
  F  F28  1  0.577  0.401  0.658  1.0
  F  F29  1  0.423  0.599  0.342  1.0
  F  F30  1  0.599  0.423  0.842  1.0
  F  F31  1  0.401  0.577  0.158  1.0
  F  F32  1  0.547  0.129  0.778  1.0
  F  F33  1  0.453  0.871  0.222  1.0
  F  F34  1  0.871  0.453  0.722  1.0
  F  F35  1  0.129  0.547  0.278  1.0
  F  F36  1  0.671  0.079  0.952  1.0
  F  F37  1  0.329  0.921  0.048  1.0
  F  F38  1  0.921  0.329  0.548  1.0
  F  F39  1  0.079  0.671  0.452  1.0
[/CIF]
.
The structure described by Ba2CaFe2CoF14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(2), one F(4), one F(5), two equivalent F(1), two equivalent F(6), two equivalent F(7), and three equivalent F(3) atoms. Ca(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. Fe(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form FeF6 octahedra that share corners with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Co(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form CoF6 octahedra that share corners with four equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Fe(1) atom. In the second F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ca(1), and one Co(1) atom. In the third F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ca(1), and one Fe(1) atom. In the fourth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Ca(1), and one Fe(1) atom. In the fifth F site, F(7) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Fe(1), and one Co(1) atom. In the sixth F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Ca(1), and one Fe(1) atom. In the seventh F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1), one Fe(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_Ba2CaFe2CoF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.473
_cell_length_b   7.473
_cell_length_c   15.075
_cell_angle_alpha   88.805
_cell_angle_beta   88.805
_cell_angle_gamma   42.630
_symmetry_Int_Tables_number   1
_cell_volume   570.010
_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  0.739  0.880  1.0
  Ba  Ba1  1  0.355  0.261  0.120  1.0
  Ba  Ba2  1  0.261  0.355  0.620  1.0
  Ba  Ba3  1  0.739  0.645  0.380  1.0
  Ca  Ca4  1  0.942  0.058  0.750  1.0
  Ca  Ca5  1  0.058  0.942  0.250  1.0
  Fe  Fe6  1  0.611  0.624  0.623  1.0
  Fe  Fe7  1  0.389  0.376  0.377  1.0
  Fe  Fe8  1  0.376  0.389  0.877  1.0
  Fe  Fe9  1  0.624  0.611  0.123  1.0
  Co  Co10  1  0.000  0.000  0.500  1.0
  Co  Co11  1  0.000  0.000  0.000  1.0
  F  F12  1  0.339  0.911  0.703  1.0
  F  F13  1  0.661  0.089  0.297  1.0
  F  F14  1  0.089  0.661  0.797  1.0
  F  F15  1  0.911  0.339  0.203  1.0
  F  F16  1  0.395  0.769  0.516  1.0
  F  F17  1  0.605  0.231  0.484  1.0
  F  F18  1  0.231  0.605  0.984  1.0
  F  F19  1  0.769  0.395  0.016  1.0
  F  F20  1  0.694  0.807  0.586  1.0
  F  F21  1  0.306  0.193  0.414  1.0
  F  F22  1  0.193  0.306  0.914  1.0
  F  F23  1  0.807  0.694  0.086  1.0
  F  F24  1  0.862  0.026  0.119  1.0
  F  F25  1  0.138  0.974  0.881  1.0
  F  F26  1  0.974  0.138  0.381  1.0
  F  F27  1  0.026  0.862  0.619  1.0
  F  F28  1  0.577  0.401  0.658  1.0
  F  F29  1  0.423  0.599  0.342  1.0
  F  F30  1  0.599  0.423  0.842  1.0
  F  F31  1  0.401  0.577  0.158  1.0
  F  F32  1  0.547  0.129  0.778  1.0
  F  F33  1  0.453  0.871  0.222  1.0
  F  F34  1  0.871  0.453  0.722  1.0
  F  F35  1  0.129  0.547  0.278  1.0
  F  F36  1  0.671  0.079  0.952  1.0
  F  F37  1  0.329  0.921  0.048  1.0
  F  F38  1  0.921  0.329  0.548  1.0
  F  F39  1  0.079  0.671  0.452  1.0
[/CIF]
.