The material described by KBeHoF6 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 12-coordinate geometry to one F(4), three equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms. Be(1) is bonded in a tetrahedral geometry to one F(1), one F(4), and two equivalent F(2) atoms. Ho(1) is bonded in a 8-coordinate geometry to one F(1), one F(4), two equivalent F(2), and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent K(1), one Be(1), and one Ho(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to two equivalent K(1), one Be(1), and one Ho(1) atom. In the third F site, F(3) is bonded to two equivalent K(1) and two equivalent Ho(1) atoms to form a mixture of distorted corner and edge-sharing FK2Ho2 tetrahedra. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one K(1), one Be(1), and one Ho(1) atom. is represented by the CIF file [CIF]
data_KHoBeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.842
_cell_length_b   6.424
_cell_length_c   7.086
_cell_angle_alpha   66.989
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.767
_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  0.250  0.571  0.795  1.0
  K  K1  1  0.750  0.429  0.205  1.0
  Ho  Ho2  1  0.250  0.888  0.180  1.0
  Ho  Ho3  1  0.750  0.112  0.820  1.0
  Be  Be4  1  0.250  0.267  0.464  1.0
  Be  Be5  1  0.750  0.733  0.536  1.0
  F  F6  1  0.250  0.489  0.263  1.0
  F  F7  1  0.534  0.733  0.405  1.0
  F  F8  1  0.466  0.267  0.595  1.0
  F  F9  1  0.502  0.822  0.965  1.0
  F  F10  1  0.498  0.178  0.035  1.0
  F  F11  1  0.002  0.178  0.035  1.0
  F  F12  1  0.998  0.822  0.965  1.0
  F  F13  1  0.750  0.943  0.591  1.0
  F  F14  1  0.966  0.733  0.405  1.0
  F  F15  1  0.034  0.267  0.595  1.0
  F  F16  1  0.250  0.057  0.409  1.0
  F  F17  1  0.750  0.511  0.737  1.0
[/CIF]
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The material described by KBeHoF6 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 12-coordinate geometry to one F(4), three equivalent F(1), four equivalent F(2), and four equivalent F(3) atoms. Be(1) is bonded in a tetrahedral geometry to one F(1), one F(4), and two equivalent F(2) atoms. Ho(1) is bonded in a 8-coordinate geometry to one F(1), one F(4), two equivalent F(2), and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to three equivalent K(1), one Be(1), and one Ho(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to two equivalent K(1), one Be(1), and one Ho(1) atom. In the third F site, F(3) is bonded to two equivalent K(1) and two equivalent Ho(1) atoms to form a mixture of distorted corner and edge-sharing FK2Ho2 tetrahedra. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one K(1), one Be(1), and one Ho(1) atom. is represented by the CIF file [CIF]
data_KHoBeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.842
_cell_length_b   6.424
_cell_length_c   7.086
_cell_angle_alpha   66.989
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.767
_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  0.250  0.571  0.795  1.0
  K  K1  1  0.750  0.429  0.205  1.0
  Ho  Ho2  1  0.250  0.888  0.180  1.0
  Ho  Ho3  1  0.750  0.112  0.820  1.0
  Be  Be4  1  0.250  0.267  0.464  1.0
  Be  Be5  1  0.750  0.733  0.536  1.0
  F  F6  1  0.250  0.489  0.263  1.0
  F  F7  1  0.534  0.733  0.405  1.0
  F  F8  1  0.466  0.267  0.595  1.0
  F  F9  1  0.502  0.822  0.965  1.0
  F  F10  1  0.498  0.178  0.035  1.0
  F  F11  1  0.002  0.178  0.035  1.0
  F  F12  1  0.998  0.822  0.965  1.0
  F  F13  1  0.750  0.943  0.591  1.0
  F  F14  1  0.966  0.733  0.405  1.0
  F  F15  1  0.034  0.267  0.595  1.0
  F  F16  1  0.250  0.057  0.409  1.0
  F  F17  1  0.750  0.511  0.737  1.0
[/CIF]
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