The structure described by KBe2BO3F2 crystallizes in the trigonal R-3c space group. K(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. Be(1) is bonded to three equivalent O(1) and one F(1) atom to form corner-sharing BeO3F tetrahedra. 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 distorted single-bond geometry to three equivalent K(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBe2BO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.421
_cell_length_b   4.421
_cell_length_c   12.411
_cell_angle_alpha   79.739
_cell_angle_beta   79.739
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   205.623
_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
  K  K0  1  0.500  0.500  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Be  Be2  1  0.901  0.901  0.297  1.0
  Be  Be3  1  0.401  0.401  0.797  1.0
  Be  Be4  1  0.099  0.099  0.703  1.0
  Be  Be5  1  0.599  0.599  0.203  1.0
  B  B6  1  0.250  0.250  0.250  1.0
  B  B7  1  0.750  0.750  0.750  1.0
  O  O8  1  0.940  0.250  0.250  1.0
  O  O9  1  0.250  0.560  0.250  1.0
  O  O10  1  0.560  0.940  0.250  1.0
  O  O11  1  0.440  0.060  0.750  1.0
  O  O12  1  0.060  0.750  0.750  1.0
  O  O13  1  0.750  0.440  0.750  1.0
  F  F14  1  0.859  0.859  0.422  1.0
  F  F15  1  0.359  0.359  0.922  1.0
  F  F16  1  0.141  0.141  0.578  1.0
  F  F17  1  0.641  0.641  0.078  1.0
[/CIF]
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The structure described by KBe2BO3F2 crystallizes in the trigonal R-3c space group. K(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. Be(1) is bonded to three equivalent O(1) and one F(1) atom to form corner-sharing BeO3F tetrahedra. 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 distorted single-bond geometry to three equivalent K(1) and one Be(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KBe2BO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.421
_cell_length_b   4.421
_cell_length_c   12.411
_cell_angle_alpha   79.739
_cell_angle_beta   79.739
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   205.623
_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
  K  K0  1  0.500  0.500  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Be  Be2  1  0.901  0.901  0.297  1.0
  Be  Be3  1  0.401  0.401  0.797  1.0
  Be  Be4  1  0.099  0.099  0.703  1.0
  Be  Be5  1  0.599  0.599  0.203  1.0
  B  B6  1  0.250  0.250  0.250  1.0
  B  B7  1  0.750  0.750  0.750  1.0
  O  O8  1  0.940  0.250  0.250  1.0
  O  O9  1  0.250  0.560  0.250  1.0
  O  O10  1  0.560  0.940  0.250  1.0
  O  O11  1  0.440  0.060  0.750  1.0
  O  O12  1  0.060  0.750  0.750  1.0
  O  O13  1  0.750  0.440  0.750  1.0
  F  F14  1  0.859  0.859  0.422  1.0
  F  F15  1  0.359  0.359  0.922  1.0
  F  F16  1  0.141  0.141  0.578  1.0
  F  F17  1  0.641  0.641  0.078  1.0
[/CIF]
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