The material structure described by LiBaCoF6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(6) atom to form distorted LiF5 trigonal bipyramids that share corners with three equivalent Co(1)F6 octahedra and  an edgeedge with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-55°. Ba(1) is bonded in a 10-coordinate geometry to one F(5), one F(6), two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Co(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 CoF6 octahedra that share corners with three equivalent Li(1)F5 trigonal bipyramids and  an edgeedge with one Li(1)F5 trigonal bipyramid. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ba(1), and one Co(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ba(1), and one Co(1) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Li(1), two equivalent Ba(1), and one Co(1) atom. In the fourth F site, F(4) is bonded to one Li(1), two equivalent Ba(1), and one Co(1) atom to form distorted corner-sharing FBa2LiCo tetrahedra. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Ba(1) and one Co(1) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Ba(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLiCoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.349
_cell_length_b   5.628
_cell_length_c   8.545
_cell_angle_alpha   88.758
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   497.618
_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  0.799  0.316  0.003  1.0
  Ba  Ba1  1  0.701  0.316  0.503  1.0
  Ba  Ba2  1  0.201  0.684  0.997  1.0
  Ba  Ba3  1  0.299  0.684  0.497  1.0
  Li  Li4  1  0.427  0.233  0.809  1.0
  Li  Li5  1  0.927  0.767  0.691  1.0
  Li  Li6  1  0.573  0.767  0.191  1.0
  Li  Li7  1  0.073  0.233  0.309  1.0
  Co  Co8  1  0.581  0.777  0.767  1.0
  Co  Co9  1  0.919  0.777  0.267  1.0
  Co  Co10  1  0.419  0.223  0.233  1.0
  Co  Co11  1  0.081  0.223  0.733  1.0
  F  F12  1  0.005  0.516  0.818  1.0
  F  F13  1  0.870  0.102  0.317  1.0
  F  F14  1  0.370  0.898  0.183  1.0
  F  F15  1  0.130  0.898  0.683  1.0
  F  F16  1  0.630  0.102  0.817  1.0
  F  F17  1  0.599  0.109  0.216  1.0
  F  F18  1  0.099  0.891  0.284  1.0
  F  F19  1  0.401  0.891  0.784  1.0
  F  F20  1  0.505  0.484  0.682  1.0
  F  F21  1  0.245  0.378  0.252  1.0
  F  F22  1  0.495  0.516  0.318  1.0
  F  F23  1  0.995  0.484  0.182  1.0
  F  F24  1  0.755  0.622  0.748  1.0
  F  F25  1  0.255  0.378  0.752  1.0
  F  F26  1  0.602  0.866  0.556  1.0
  F  F27  1  0.745  0.622  0.248  1.0
  F  F28  1  0.909  0.675  0.474  1.0
  F  F29  1  0.102  0.134  0.944  1.0
  F  F30  1  0.398  0.134  0.444  1.0
  F  F31  1  0.898  0.866  0.056  1.0
  F  F32  1  0.591  0.675  0.974  1.0
  F  F33  1  0.091  0.325  0.526  1.0
  F  F34  1  0.409  0.325  0.026  1.0
  F  F35  1  0.901  0.109  0.716  1.0
[/CIF]
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The material structure described by LiBaCoF6 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(6) atom to form distorted LiF5 trigonal bipyramids that share corners with three equivalent Co(1)F6 octahedra and  an edgeedge with one Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 35-55°. Ba(1) is bonded in a 10-coordinate geometry to one F(5), one F(6), two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. Co(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 CoF6 octahedra that share corners with three equivalent Li(1)F5 trigonal bipyramids and  an edgeedge with one Li(1)F5 trigonal bipyramid. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ba(1), and one Co(1) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ba(1), and one Co(1) atom. In the third F site, F(3) is bonded in a distorted water-like geometry to one Li(1), two equivalent Ba(1), and one Co(1) atom. In the fourth F site, F(4) is bonded to one Li(1), two equivalent Ba(1), and one Co(1) atom to form distorted corner-sharing FBa2LiCo tetrahedra. In the fifth F site, F(5) is bonded in a distorted single-bond geometry to one Ba(1) and one Co(1) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one Li(1), one Ba(1), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLiCoF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.349
_cell_length_b   5.628
_cell_length_c   8.545
_cell_angle_alpha   88.758
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   497.618
_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  0.799  0.316  0.003  1.0
  Ba  Ba1  1  0.701  0.316  0.503  1.0
  Ba  Ba2  1  0.201  0.684  0.997  1.0
  Ba  Ba3  1  0.299  0.684  0.497  1.0
  Li  Li4  1  0.427  0.233  0.809  1.0
  Li  Li5  1  0.927  0.767  0.691  1.0
  Li  Li6  1  0.573  0.767  0.191  1.0
  Li  Li7  1  0.073  0.233  0.309  1.0
  Co  Co8  1  0.581  0.777  0.767  1.0
  Co  Co9  1  0.919  0.777  0.267  1.0
  Co  Co10  1  0.419  0.223  0.233  1.0
  Co  Co11  1  0.081  0.223  0.733  1.0
  F  F12  1  0.005  0.516  0.818  1.0
  F  F13  1  0.870  0.102  0.317  1.0
  F  F14  1  0.370  0.898  0.183  1.0
  F  F15  1  0.130  0.898  0.683  1.0
  F  F16  1  0.630  0.102  0.817  1.0
  F  F17  1  0.599  0.109  0.216  1.0
  F  F18  1  0.099  0.891  0.284  1.0
  F  F19  1  0.401  0.891  0.784  1.0
  F  F20  1  0.505  0.484  0.682  1.0
  F  F21  1  0.245  0.378  0.252  1.0
  F  F22  1  0.495  0.516  0.318  1.0
  F  F23  1  0.995  0.484  0.182  1.0
  F  F24  1  0.755  0.622  0.748  1.0
  F  F25  1  0.255  0.378  0.752  1.0
  F  F26  1  0.602  0.866  0.556  1.0
  F  F27  1  0.745  0.622  0.248  1.0
  F  F28  1  0.909  0.675  0.474  1.0
  F  F29  1  0.102  0.134  0.944  1.0
  F  F30  1  0.398  0.134  0.444  1.0
  F  F31  1  0.898  0.866  0.056  1.0
  F  F32  1  0.591  0.675  0.974  1.0
  F  F33  1  0.091  0.325  0.526  1.0
  F  F34  1  0.409  0.325  0.026  1.0
  F  F35  1  0.901  0.109  0.716  1.0
[/CIF]
.