The material structure described by KBeF3 crystallizes in the orthorhombic P2_12_12_1 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(3), three equivalent F(1), and three equivalent F(2) atoms. Be(1) is bonded to one F(1), one F(2), and two equivalent F(3) atoms to form corner-sharing BeF4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Be(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Be(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and two equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_KBeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.454
_cell_length_b   5.416
_cell_length_c   11.987
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.144
_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
  K  K0  1  0.278  0.317  0.360  1.0
  K  K1  1  0.222  0.683  0.860  1.0
  K  K2  1  0.722  0.817  0.140  1.0
  K  K3  1  0.778  0.183  0.640  1.0
  Be  Be4  1  0.157  0.300  0.071  1.0
  Be  Be5  1  0.343  0.700  0.571  1.0
  Be  Be6  1  0.843  0.800  0.429  1.0
  Be  Be7  1  0.657  0.200  0.929  1.0
  F  F8  1  0.230  0.119  0.163  1.0
  F  F9  1  0.270  0.881  0.663  1.0
  F  F10  1  0.770  0.619  0.337  1.0
  F  F11  1  0.730  0.381  0.837  1.0
  F  F12  1  0.232  0.569  0.091  1.0
  F  F13  1  0.268  0.431  0.591  1.0
  F  F14  1  0.768  0.069  0.409  1.0
  F  F15  1  0.732  0.931  0.909  1.0
  F  F16  1  0.806  0.285  0.044  1.0
  F  F17  1  0.694  0.715  0.544  1.0
  F  F18  1  0.194  0.785  0.456  1.0
  F  F19  1  0.306  0.215  0.956  1.0
[/CIF]
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The material structure described by KBeF3 crystallizes in the orthorhombic P2_12_12_1 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(3), three equivalent F(1), and three equivalent F(2) atoms. Be(1) is bonded to one F(1), one F(2), and two equivalent F(3) atoms to form corner-sharing BeF4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Be(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Be(1) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to two equivalent K(1) and two equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_KBeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.454
_cell_length_b   5.416
_cell_length_c   11.987
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.144
_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
  K  K0  1  0.278  0.317  0.360  1.0
  K  K1  1  0.222  0.683  0.860  1.0
  K  K2  1  0.722  0.817  0.140  1.0
  K  K3  1  0.778  0.183  0.640  1.0
  Be  Be4  1  0.157  0.300  0.071  1.0
  Be  Be5  1  0.343  0.700  0.571  1.0
  Be  Be6  1  0.843  0.800  0.429  1.0
  Be  Be7  1  0.657  0.200  0.929  1.0
  F  F8  1  0.230  0.119  0.163  1.0
  F  F9  1  0.270  0.881  0.663  1.0
  F  F10  1  0.770  0.619  0.337  1.0
  F  F11  1  0.730  0.381  0.837  1.0
  F  F12  1  0.232  0.569  0.091  1.0
  F  F13  1  0.268  0.431  0.591  1.0
  F  F14  1  0.768  0.069  0.409  1.0
  F  F15  1  0.732  0.931  0.909  1.0
  F  F16  1  0.806  0.285  0.044  1.0
  F  F17  1  0.694  0.715  0.544  1.0
  F  F18  1  0.194  0.785  0.456  1.0
  F  F19  1  0.306  0.215  0.956  1.0
[/CIF]
.