The crystal structure described by CsBa2Cr2F11 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent F(2) atoms. Ba(1) is bonded to four equivalent F(3) and eight equivalent F(2) atoms to form BaF12 cuboctahedra that share corners with four equivalent Ba(1)F12 cuboctahedra, faces with four equivalent Ba(1)F12 cuboctahedra, and faces with four equivalent Cr(1)F6 octahedra. Cr(1) is bonded to one F(1), one F(3), and four equivalent F(2) atoms to form CrF6 octahedra that share  a cornercorner with one Cr(1)F6 octahedra and faces with four equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Ba(1), and one Cr(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to four equivalent Ba(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBa2Cr2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.901
_cell_length_b   8.901
_cell_length_c   8.901
_cell_angle_alpha   139.843
_cell_angle_beta   139.843
_cell_angle_gamma   58.091
_symmetry_Int_Tables_number   1
_cell_volume   290.668
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Ba  Ba2  1  0.750  0.250  0.500  1.0
  Cr  Cr3  1  0.375  0.375  0.000  1.0
  Cr  Cr4  1  0.625  0.625  0.000  1.0
  F  F5  1  0.500  0.500  0.000  1.0
  F  F6  1  0.142  0.142  0.550  1.0
  F  F7  1  0.591  0.142  0.000  1.0
  F  F8  1  0.142  0.591  0.000  1.0
  F  F9  1  0.591  0.591  0.450  1.0
  F  F10  1  0.750  0.750  0.000  1.0
  F  F11  1  0.250  0.250  0.000  1.0
  F  F12  1  0.409  0.409  0.550  1.0
  F  F13  1  0.858  0.409  0.000  1.0
  F  F14  1  0.409  0.858  0.000  1.0
  F  F15  1  0.858  0.858  0.450  1.0
[/CIF]
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The crystal structure described by CsBa2Cr2F11 crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a body-centered cubic geometry to eight equivalent F(2) atoms. Ba(1) is bonded to four equivalent F(3) and eight equivalent F(2) atoms to form BaF12 cuboctahedra that share corners with four equivalent Ba(1)F12 cuboctahedra, faces with four equivalent Ba(1)F12 cuboctahedra, and faces with four equivalent Cr(1)F6 octahedra. Cr(1) is bonded to one F(1), one F(3), and four equivalent F(2) atoms to form CrF6 octahedra that share  a cornercorner with one Cr(1)F6 octahedra and faces with four equivalent Ba(1)F12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Cr(1) atoms. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Ba(1), and one Cr(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to four equivalent Ba(1) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBa2Cr2F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.901
_cell_length_b   8.901
_cell_length_c   8.901
_cell_angle_alpha   139.843
_cell_angle_beta   139.843
_cell_angle_gamma   58.091
_symmetry_Int_Tables_number   1
_cell_volume   290.668
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.250  0.750  0.500  1.0
  Ba  Ba2  1  0.750  0.250  0.500  1.0
  Cr  Cr3  1  0.375  0.375  0.000  1.0
  Cr  Cr4  1  0.625  0.625  0.000  1.0
  F  F5  1  0.500  0.500  0.000  1.0
  F  F6  1  0.142  0.142  0.550  1.0
  F  F7  1  0.591  0.142  0.000  1.0
  F  F8  1  0.142  0.591  0.000  1.0
  F  F9  1  0.591  0.591  0.450  1.0
  F  F10  1  0.750  0.750  0.000  1.0
  F  F11  1  0.250  0.250  0.000  1.0
  F  F12  1  0.409  0.409  0.550  1.0
  F  F13  1  0.858  0.409  0.000  1.0
  F  F14  1  0.409  0.858  0.000  1.0
  F  F15  1  0.858  0.858  0.450  1.0
[/CIF]
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