The compound described by KLiBeF4 crystallizes in the hexagonal P6_3 space group. K(1) is bonded in a distorted q6 geometry to three equivalent F(2) and six equivalent F(1) atoms. Li(1) is bonded to one F(2) and three equivalent F(1) atoms to form LiF4 tetrahedra that share corners with four 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 four equivalent Li(1)F4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one Be(1) atom. In the second F site, F(2) is bonded in a linear geometry to three equivalent K(1), one Li(1), and one Be(1) atom. is represented by the CIF card [CIF]
data_KLiBeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   5.015
_cell_length_c   8.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   186.656
_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  0.000  0.000  0.498  1.0
  K  K1  1  0.000  0.000  0.998  1.0
  Li  Li2  1  0.667  0.333  0.303  1.0
  Li  Li3  1  0.333  0.667  0.803  1.0
  Be  Be4  1  0.333  0.667  0.196  1.0
  Be  Be5  1  0.667  0.333  0.696  1.0
  F  F6  1  0.627  0.666  0.252  1.0
  F  F7  1  0.666  0.039  0.752  1.0
  F  F8  1  0.333  0.667  0.015  1.0
  F  F9  1  0.667  0.333  0.515  1.0
  F  F10  1  0.334  0.961  0.252  1.0
  F  F11  1  0.373  0.334  0.752  1.0
  F  F12  1  0.961  0.627  0.752  1.0
  F  F13  1  0.039  0.373  0.252  1.0
[/CIF]
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The compound described by KLiBeF4 crystallizes in the hexagonal P6_3 space group. K(1) is bonded in a distorted q6 geometry to three equivalent F(2) and six equivalent F(1) atoms. Li(1) is bonded to one F(2) and three equivalent F(1) atoms to form LiF4 tetrahedra that share corners with four 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 four equivalent Li(1)F4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1), one Li(1), and one Be(1) atom. In the second F site, F(2) is bonded in a linear geometry to three equivalent K(1), one Li(1), and one Be(1) atom. is represented by the CIF card [CIF]
data_KLiBeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.015
_cell_length_b   5.015
_cell_length_c   8.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   186.656
_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  0.000  0.000  0.498  1.0
  K  K1  1  0.000  0.000  0.998  1.0
  Li  Li2  1  0.667  0.333  0.303  1.0
  Li  Li3  1  0.333  0.667  0.803  1.0
  Be  Be4  1  0.333  0.667  0.196  1.0
  Be  Be5  1  0.667  0.333  0.696  1.0
  F  F6  1  0.627  0.666  0.252  1.0
  F  F7  1  0.666  0.039  0.752  1.0
  F  F8  1  0.333  0.667  0.015  1.0
  F  F9  1  0.667  0.333  0.515  1.0
  F  F10  1  0.334  0.961  0.252  1.0
  F  F11  1  0.373  0.334  0.752  1.0
  F  F12  1  0.961  0.627  0.752  1.0
  F  F13  1  0.039  0.373  0.252  1.0
[/CIF]
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