The material described by KBe3ZnF9 crystallizes in the hexagonal P-6c2 space group. K(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. Be(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form BeF4 tetrahedra that share corners with two equivalent Zn(1)F6 octahedra and corners with two equivalent Be(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. Zn(1) is bonded to six equivalent F(1) atoms to form ZnF6 octahedra that share corners with six equivalent Be(1)F4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one K(1), one Be(1), and one Zn(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_KBe3ZnF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.681
_cell_length_b   6.681
_cell_length_c   9.767
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.544
_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  0.667  0.333  0.000  1.0
  K  K1  1  0.667  0.333  0.500  1.0
  Be  Be2  1  0.217  0.941  0.250  1.0
  Be  Be3  1  0.217  0.276  0.750  1.0
  Be  Be4  1  0.724  0.941  0.750  1.0
  Be  Be5  1  0.059  0.783  0.750  1.0
  Be  Be6  1  0.059  0.276  0.250  1.0
  Be  Be7  1  0.724  0.783  0.250  1.0
  Zn  Zn8  1  0.333  0.667  0.000  1.0
  Zn  Zn9  1  0.333  0.667  0.500  1.0
  F  F10  1  0.076  0.663  0.619  1.0
  F  F11  1  0.587  0.924  0.619  1.0
  F  F12  1  0.337  0.413  0.619  1.0
  F  F13  1  0.337  0.924  0.381  1.0
  F  F14  1  0.241  0.191  0.250  1.0
  F  F15  1  0.950  0.759  0.250  1.0
  F  F16  1  0.809  0.050  0.250  1.0
  F  F17  1  0.809  0.759  0.750  1.0
  F  F18  1  0.950  0.191  0.750  1.0
  F  F19  1  0.241  0.050  0.750  1.0
  F  F20  1  0.337  0.924  0.119  1.0
  F  F21  1  0.587  0.663  0.381  1.0
  F  F22  1  0.076  0.413  0.381  1.0
  F  F23  1  0.076  0.413  0.119  1.0
  F  F24  1  0.587  0.663  0.119  1.0
  F  F25  1  0.076  0.663  0.881  1.0
  F  F26  1  0.587  0.924  0.881  1.0
  F  F27  1  0.337  0.413  0.881  1.0
[/CIF]
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The material described by KBe3ZnF9 crystallizes in the hexagonal P-6c2 space group. K(1) is bonded in a 6-coordinate geometry to six equivalent F(1) atoms. Be(1) is bonded to two equivalent F(1) and two equivalent F(2) atoms to form BeF4 tetrahedra that share corners with two equivalent Zn(1)F6 octahedra and corners with two equivalent Be(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. Zn(1) is bonded to six equivalent F(1) atoms to form ZnF6 octahedra that share corners with six equivalent Be(1)F4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one K(1), one Be(1), and one Zn(1) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent Be(1) atoms. is represented by the CIF file [CIF]
data_KBe3ZnF9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.681
_cell_length_b   6.681
_cell_length_c   9.767
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   377.544
_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  0.667  0.333  0.000  1.0
  K  K1  1  0.667  0.333  0.500  1.0
  Be  Be2  1  0.217  0.941  0.250  1.0
  Be  Be3  1  0.217  0.276  0.750  1.0
  Be  Be4  1  0.724  0.941  0.750  1.0
  Be  Be5  1  0.059  0.783  0.750  1.0
  Be  Be6  1  0.059  0.276  0.250  1.0
  Be  Be7  1  0.724  0.783  0.250  1.0
  Zn  Zn8  1  0.333  0.667  0.000  1.0
  Zn  Zn9  1  0.333  0.667  0.500  1.0
  F  F10  1  0.076  0.663  0.619  1.0
  F  F11  1  0.587  0.924  0.619  1.0
  F  F12  1  0.337  0.413  0.619  1.0
  F  F13  1  0.337  0.924  0.381  1.0
  F  F14  1  0.241  0.191  0.250  1.0
  F  F15  1  0.950  0.759  0.250  1.0
  F  F16  1  0.809  0.050  0.250  1.0
  F  F17  1  0.809  0.759  0.750  1.0
  F  F18  1  0.950  0.191  0.750  1.0
  F  F19  1  0.241  0.050  0.750  1.0
  F  F20  1  0.337  0.924  0.119  1.0
  F  F21  1  0.587  0.663  0.381  1.0
  F  F22  1  0.076  0.413  0.381  1.0
  F  F23  1  0.076  0.413  0.119  1.0
  F  F24  1  0.587  0.663  0.119  1.0
  F  F25  1  0.076  0.663  0.881  1.0
  F  F26  1  0.587  0.924  0.881  1.0
  F  F27  1  0.337  0.413  0.881  1.0
[/CIF]
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