The structure described by LiBaZr2F11 crystallizes in the tetragonal I4/m space group. Li(1) is bonded to four equivalent F(3) atoms to form LiF4 tetrahedra that share corners with four equivalent Ba(1)F12 cuboctahedra. Ba(1) is bonded to four equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms to form distorted BaF12 cuboctahedra that share corners with four equivalent Li(1)F4 tetrahedra and  a faceface with one Ba(1)F12 cuboctahedra. Zr(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), two equivalent F(3), and four equivalent F(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Zr(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Zr(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Ba(1), and one Zr(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLiZr2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.069
_cell_length_b   8.069
_cell_length_c   8.069
_cell_angle_alpha   119.049
_cell_angle_beta   119.049
_cell_angle_gamma   91.655
_symmetry_Int_Tables_number   1
_cell_volume   376.644
_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  0.195  0.195  0.000  1.0
  Ba  Ba1  1  0.805  0.805  0.000  1.0
  Li  Li2  1  0.750  0.250  0.500  1.0
  Li  Li3  1  0.250  0.750  0.500  1.0
  Zr  Zr4  1  0.638  0.214  0.852  1.0
  Zr  Zr5  1  0.786  0.638  0.423  1.0
  Zr  Zr6  1  0.362  0.786  0.148  1.0
  Zr  Zr7  1  0.214  0.362  0.577  1.0
  F  F8  1  0.811  0.532  0.133  1.0
  F  F9  1  0.811  0.882  0.693  1.0
  F  F10  1  0.055  0.839  0.564  1.0
  F  F11  1  0.161  0.725  0.216  1.0
  F  F12  1  0.532  0.399  0.721  1.0
  F  F13  1  0.678  0.811  0.279  1.0
  F  F14  1  0.491  0.055  0.216  1.0
  F  F15  1  0.601  0.322  0.133  1.0
  F  F16  1  0.509  0.945  0.784  1.0
  F  F17  1  0.118  0.811  0.930  1.0
  F  F18  1  0.500  0.000  0.500  1.0
  F  F19  1  0.882  0.189  0.070  1.0
  F  F20  1  0.945  0.161  0.436  1.0
  F  F21  1  0.468  0.601  0.279  1.0
  F  F22  1  0.399  0.678  0.867  1.0
  F  F23  1  0.189  0.468  0.867  1.0
  F  F24  1  0.322  0.189  0.721  1.0
  F  F25  1  0.839  0.275  0.784  1.0
  F  F26  1  0.000  0.500  0.500  1.0
  F  F27  1  0.725  0.509  0.564  1.0
  F  F28  1  0.189  0.118  0.307  1.0
  F  F29  1  0.275  0.491  0.436  1.0
[/CIF]
.
The structure described by LiBaZr2F11 crystallizes in the tetragonal I4/m space group. Li(1) is bonded to four equivalent F(3) atoms to form LiF4 tetrahedra that share corners with four equivalent Ba(1)F12 cuboctahedra. Ba(1) is bonded to four equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms to form distorted BaF12 cuboctahedra that share corners with four equivalent Li(1)F4 tetrahedra and  a faceface with one Ba(1)F12 cuboctahedra. Zr(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), two equivalent F(3), and four equivalent F(1) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1) and two equivalent Zr(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Zr(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Ba(1), and one Zr(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Zr(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaLiZr2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.069
_cell_length_b   8.069
_cell_length_c   8.069
_cell_angle_alpha   119.049
_cell_angle_beta   119.049
_cell_angle_gamma   91.655
_symmetry_Int_Tables_number   1
_cell_volume   376.644
_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  0.195  0.195  0.000  1.0
  Ba  Ba1  1  0.805  0.805  0.000  1.0
  Li  Li2  1  0.750  0.250  0.500  1.0
  Li  Li3  1  0.250  0.750  0.500  1.0
  Zr  Zr4  1  0.638  0.214  0.852  1.0
  Zr  Zr5  1  0.786  0.638  0.423  1.0
  Zr  Zr6  1  0.362  0.786  0.148  1.0
  Zr  Zr7  1  0.214  0.362  0.577  1.0
  F  F8  1  0.811  0.532  0.133  1.0
  F  F9  1  0.811  0.882  0.693  1.0
  F  F10  1  0.055  0.839  0.564  1.0
  F  F11  1  0.161  0.725  0.216  1.0
  F  F12  1  0.532  0.399  0.721  1.0
  F  F13  1  0.678  0.811  0.279  1.0
  F  F14  1  0.491  0.055  0.216  1.0
  F  F15  1  0.601  0.322  0.133  1.0
  F  F16  1  0.509  0.945  0.784  1.0
  F  F17  1  0.118  0.811  0.930  1.0
  F  F18  1  0.500  0.000  0.500  1.0
  F  F19  1  0.882  0.189  0.070  1.0
  F  F20  1  0.945  0.161  0.436  1.0
  F  F21  1  0.468  0.601  0.279  1.0
  F  F22  1  0.399  0.678  0.867  1.0
  F  F23  1  0.189  0.468  0.867  1.0
  F  F24  1  0.322  0.189  0.721  1.0
  F  F25  1  0.839  0.275  0.784  1.0
  F  F26  1  0.000  0.500  0.500  1.0
  F  F27  1  0.725  0.509  0.564  1.0
  F  F28  1  0.189  0.118  0.307  1.0
  F  F29  1  0.275  0.491  0.436  1.0
[/CIF]
.