The material structure described by CsBe2BO3F2 crystallizes in the trigonal R32 space group. Cs(1) is bonded to six equivalent F(1) atoms to form CsF6 octahedra that share corners with six equivalent Be(1)O3F tetrahedra and edges with six equivalent Cs(1)F6 octahedra. Be(1) is bonded to three equivalent O(1) and one F(1) atom to form BeO3F tetrahedra that share corners with three equivalent Cs(1)F6 octahedra and corners with three equivalent Be(1)O3F tetrahedra. The corner-sharing octahedral tilt angles are 59°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to two equivalent Be(1) and one B(1) atom. F(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBe2BO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.813
_cell_length_b   7.813
_cell_length_c   7.813
_cell_angle_alpha   33.341
_cell_angle_beta   33.341
_cell_angle_gamma   33.341
_symmetry_Int_Tables_number   1
_cell_volume   128.278
_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
  Be  Be1  1  0.192  0.192  0.192  1.0
  Be  Be2  1  0.808  0.808  0.808  1.0
  B  B3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.500  0.191  0.809  1.0
  O  O5  1  0.191  0.809  0.500  1.0
  O  O6  1  0.809  0.500  0.191  1.0
  F  F7  1  0.262  0.262  0.262  1.0
  F  F8  1  0.738  0.738  0.738  1.0
[/CIF]
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The material structure described by CsBe2BO3F2 crystallizes in the trigonal R32 space group. Cs(1) is bonded to six equivalent F(1) atoms to form CsF6 octahedra that share corners with six equivalent Be(1)O3F tetrahedra and edges with six equivalent Cs(1)F6 octahedra. Be(1) is bonded to three equivalent O(1) and one F(1) atom to form BeO3F tetrahedra that share corners with three equivalent Cs(1)F6 octahedra and corners with three equivalent Be(1)O3F tetrahedra. The corner-sharing octahedral tilt angles are 59°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. O(1) is bonded in a trigonal planar geometry to two equivalent Be(1) and one B(1) atom. F(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBe2BO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.813
_cell_length_b   7.813
_cell_length_c   7.813
_cell_angle_alpha   33.341
_cell_angle_beta   33.341
_cell_angle_gamma   33.341
_symmetry_Int_Tables_number   1
_cell_volume   128.278
_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
  Be  Be1  1  0.192  0.192  0.192  1.0
  Be  Be2  1  0.808  0.808  0.808  1.0
  B  B3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.500  0.191  0.809  1.0
  O  O5  1  0.191  0.809  0.500  1.0
  O  O6  1  0.809  0.500  0.191  1.0
  F  F7  1  0.262  0.262  0.262  1.0
  F  F8  1  0.738  0.738  0.738  1.0
[/CIF]
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