The material structure described by CsBa2Zn2F9 crystallizes in the trigonal R3m space group. Cs(1) is bonded to three equivalent F(1), three equivalent F(3), and six equivalent F(2) atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Zn(1)F6 octahedra, faces with four equivalent Ba(1)F12 cuboctahedra,  a faceface with one Zn(1)F6 octahedra, and faces with three equivalent Zn(2)F6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent F(1), three equivalent F(2), and six equivalent F(3) atoms to form BaF12 cuboctahedra that share corners with six equivalent Ba(1)F12 cuboctahedra, faces with four equivalent Cs(1)F12 cuboctahedra, faces with three equivalent Zn(1)F6 octahedra, and faces with three equivalent Zn(2)F6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent F(2), three equivalent F(3), and six equivalent F(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent F(1) and three equivalent F(3) atoms to form ZnF6 octahedra that share corners with three equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Zn(2)F6 octahedra,  a faceface with one Cs(1)F12 cuboctahedra, and faces with three equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. In the second Zn site, Zn(2) is bonded to three equivalent F(2) and three equivalent F(3) atoms to form ZnF6 octahedra that share corners with three equivalent Zn(1)F6 octahedra, faces with three equivalent Cs(1)F12 cuboctahedra, and faces with three equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1), one Ba(1), two equivalent Ba(2), and one Zn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one Ba(1), one Ba(2), and one Zn(2) atom. In the third F site, F(3) is bonded in a distorted linear geometry to one Cs(1), one Ba(2), two equivalent Ba(1), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBa2Zn2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.962
_cell_length_b   7.962
_cell_length_c   7.962
_cell_angle_alpha   44.296
_cell_angle_beta   44.296
_cell_angle_gamma   44.296
_symmetry_Int_Tables_number   1
_cell_volume   223.724
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.215  0.215  0.215  1.0
  Ba  Ba1  1  0.999  0.999  0.999  1.0
  Ba  Ba2  1  0.792  0.792  0.792  1.0
  Zn  Zn3  1  0.391  0.391  0.391  1.0
  Zn  Zn4  1  0.604  0.604  0.604  1.0
  F  F5  1  0.265  0.772  0.265  1.0
  F  F6  1  0.772  0.265  0.265  1.0
  F  F7  1  0.265  0.265  0.772  1.0
  F  F8  1  0.735  0.218  0.735  1.0
  F  F9  1  0.218  0.735  0.735  1.0
  F  F10  1  0.735  0.735  0.218  1.0
  F  F11  1  0.988  0.510  0.510  1.0
  F  F12  1  0.510  0.510  0.988  1.0
  F  F13  1  0.510  0.988  0.510  1.0
[/CIF]
.
The material structure described by CsBa2Zn2F9 crystallizes in the trigonal R3m space group. Cs(1) is bonded to three equivalent F(1), three equivalent F(3), and six equivalent F(2) atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Zn(1)F6 octahedra, faces with four equivalent Ba(1)F12 cuboctahedra,  a faceface with one Zn(1)F6 octahedra, and faces with three equivalent Zn(2)F6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent F(1), three equivalent F(2), and six equivalent F(3) atoms to form BaF12 cuboctahedra that share corners with six equivalent Ba(1)F12 cuboctahedra, faces with four equivalent Cs(1)F12 cuboctahedra, faces with three equivalent Zn(1)F6 octahedra, and faces with three equivalent Zn(2)F6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent F(2), three equivalent F(3), and six equivalent F(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to three equivalent F(1) and three equivalent F(3) atoms to form ZnF6 octahedra that share corners with three equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Zn(2)F6 octahedra,  a faceface with one Cs(1)F12 cuboctahedra, and faces with three equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. In the second Zn site, Zn(2) is bonded to three equivalent F(2) and three equivalent F(3) atoms to form ZnF6 octahedra that share corners with three equivalent Zn(1)F6 octahedra, faces with three equivalent Cs(1)F12 cuboctahedra, and faces with three equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to one Cs(1), one Ba(1), two equivalent Ba(2), and one Zn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one Ba(1), one Ba(2), and one Zn(2) atom. In the third F site, F(3) is bonded in a distorted linear geometry to one Cs(1), one Ba(2), two equivalent Ba(1), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBa2Zn2F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.962
_cell_length_b   7.962
_cell_length_c   7.962
_cell_angle_alpha   44.296
_cell_angle_beta   44.296
_cell_angle_gamma   44.296
_symmetry_Int_Tables_number   1
_cell_volume   223.724
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.215  0.215  0.215  1.0
  Ba  Ba1  1  0.999  0.999  0.999  1.0
  Ba  Ba2  1  0.792  0.792  0.792  1.0
  Zn  Zn3  1  0.391  0.391  0.391  1.0
  Zn  Zn4  1  0.604  0.604  0.604  1.0
  F  F5  1  0.265  0.772  0.265  1.0
  F  F6  1  0.772  0.265  0.265  1.0
  F  F7  1  0.265  0.265  0.772  1.0
  F  F8  1  0.735  0.218  0.735  1.0
  F  F9  1  0.218  0.735  0.735  1.0
  F  F10  1  0.735  0.735  0.218  1.0
  F  F11  1  0.988  0.510  0.510  1.0
  F  F12  1  0.510  0.510  0.988  1.0
  F  F13  1  0.510  0.988  0.510  1.0
[/CIF]
.