The compound described by CsBe2F5 crystallizes in the cubic P4_132 space group. Cs(1) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Be(1)F4 tetrahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with two equivalent Be(1)F4 tetrahedra. Be(1) is bonded to one F(2) and three equivalent F(1) atoms to form BeF4 tetrahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Be(1)F4 tetrahedra, and  a faceface with one Cs(1)F12 cuboctahedra. There are two inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Be(1) atom. In the second F site, F(1) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_CsBe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.886
_cell_length_b   7.886
_cell_length_c   7.886
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.405
_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
  Cs  Cs0  1  0.875  0.125  0.625  1.0
  Cs  Cs1  1  0.125  0.625  0.875  1.0
  Cs  Cs2  1  0.625  0.875  0.125  1.0
  Cs  Cs3  1  0.375  0.375  0.375  1.0
  Be  Be4  1  0.104  0.104  0.104  1.0
  Be  Be5  1  0.646  0.646  0.646  1.0
  Be  Be6  1  0.896  0.604  0.396  1.0
  Be  Be7  1  0.604  0.396  0.896  1.0
  Be  Be8  1  0.396  0.896  0.604  1.0
  Be  Be9  1  0.354  0.146  0.854  1.0
  Be  Be10  1  0.854  0.354  0.146  1.0
  Be  Be11  1  0.146  0.854  0.354  1.0
  F  F12  1  0.625  0.458  0.708  1.0
  F  F13  1  0.792  0.375  0.958  1.0
  F  F14  1  0.708  0.625  0.458  1.0
  F  F15  1  0.542  0.208  0.875  1.0
  F  F16  1  0.995  0.995  0.995  1.0
  F  F17  1  0.245  0.255  0.745  1.0
  F  F18  1  0.745  0.245  0.255  1.0
  F  F19  1  0.255  0.745  0.245  1.0
  F  F20  1  0.505  0.005  0.495  1.0
  F  F21  1  0.495  0.505  0.005  1.0
  F  F22  1  0.005  0.495  0.505  1.0
  F  F23  1  0.755  0.755  0.755  1.0
  F  F24  1  0.125  0.042  0.292  1.0
  F  F25  1  0.375  0.958  0.792  1.0
  F  F26  1  0.875  0.542  0.208  1.0
  F  F27  1  0.042  0.292  0.125  1.0
  F  F28  1  0.958  0.792  0.375  1.0
  F  F29  1  0.208  0.875  0.542  1.0
  F  F30  1  0.292  0.125  0.042  1.0
  F  F31  1  0.458  0.708  0.625  1.0
[/CIF]
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The compound described by CsBe2F5 crystallizes in the cubic P4_132 space group. Cs(1) is bonded to six equivalent F(1) and six equivalent F(2) atoms to form CsF12 cuboctahedra that share corners with twelve equivalent Be(1)F4 tetrahedra, faces with six equivalent Cs(1)F12 cuboctahedra, and faces with two equivalent Be(1)F4 tetrahedra. Be(1) is bonded to one F(2) and three equivalent F(1) atoms to form BeF4 tetrahedra that share corners with six equivalent Cs(1)F12 cuboctahedra, corners with three equivalent Be(1)F4 tetrahedra, and  a faceface with one Cs(1)F12 cuboctahedra. There are two inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to three equivalent Cs(1) and one Be(1) atom. In the second F site, F(1) is bonded in a bent 120 degrees geometry to two equivalent Cs(1) and two equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_CsBe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.886
_cell_length_b   7.886
_cell_length_c   7.886
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.405
_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
  Cs  Cs0  1  0.875  0.125  0.625  1.0
  Cs  Cs1  1  0.125  0.625  0.875  1.0
  Cs  Cs2  1  0.625  0.875  0.125  1.0
  Cs  Cs3  1  0.375  0.375  0.375  1.0
  Be  Be4  1  0.104  0.104  0.104  1.0
  Be  Be5  1  0.646  0.646  0.646  1.0
  Be  Be6  1  0.896  0.604  0.396  1.0
  Be  Be7  1  0.604  0.396  0.896  1.0
  Be  Be8  1  0.396  0.896  0.604  1.0
  Be  Be9  1  0.354  0.146  0.854  1.0
  Be  Be10  1  0.854  0.354  0.146  1.0
  Be  Be11  1  0.146  0.854  0.354  1.0
  F  F12  1  0.625  0.458  0.708  1.0
  F  F13  1  0.792  0.375  0.958  1.0
  F  F14  1  0.708  0.625  0.458  1.0
  F  F15  1  0.542  0.208  0.875  1.0
  F  F16  1  0.995  0.995  0.995  1.0
  F  F17  1  0.245  0.255  0.745  1.0
  F  F18  1  0.745  0.245  0.255  1.0
  F  F19  1  0.255  0.745  0.245  1.0
  F  F20  1  0.505  0.005  0.495  1.0
  F  F21  1  0.495  0.505  0.005  1.0
  F  F22  1  0.005  0.495  0.505  1.0
  F  F23  1  0.755  0.755  0.755  1.0
  F  F24  1  0.125  0.042  0.292  1.0
  F  F25  1  0.375  0.958  0.792  1.0
  F  F26  1  0.875  0.542  0.208  1.0
  F  F27  1  0.042  0.292  0.125  1.0
  F  F28  1  0.958  0.792  0.375  1.0
  F  F29  1  0.208  0.875  0.542  1.0
  F  F30  1  0.292  0.125  0.042  1.0
  F  F31  1  0.458  0.708  0.625  1.0
[/CIF]
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