The crystal structure described by KBeTmF6 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 12-coordinate geometry to one F(2), three equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms. Be(1) is bonded in a tetrahedral geometry to one F(2), one F(4), and two equivalent F(1) atoms. Tm(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), two equivalent F(1), and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Be(1), and one Tm(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Be(1), and one Tm(1) atom. In the third F site, F(3) is bonded to two equivalent K(1) and two equivalent Tm(1) atoms to form a mixture of distorted edge and corner-sharing FK2Tm2 tetrahedra. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to three equivalent K(1), one Be(1), and one Tm(1) atom. is represented by the CIF file [CIF]
data_KTmBeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.767
_cell_length_b   6.405
_cell_length_c   7.034
_cell_angle_alpha   113.137
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.882
_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  0.750  0.071  0.203  1.0
  K  K1  1  0.250  0.929  0.797  1.0
  Tm  Tm2  1  0.750  0.390  0.821  1.0
  Tm  Tm3  1  0.250  0.610  0.179  1.0
  Be  Be4  1  0.750  0.766  0.536  1.0
  Be  Be5  1  0.250  0.234  0.464  1.0
  F  F6  1  0.968  0.766  0.403  1.0
  F  F7  1  0.032  0.234  0.597  1.0
  F  F8  1  0.468  0.234  0.597  1.0
  F  F9  1  0.532  0.766  0.403  1.0
  F  F10  1  0.750  0.558  0.594  1.0
  F  F11  1  0.250  0.442  0.406  1.0
  F  F12  1  0.999  0.677  0.966  1.0
  F  F13  1  0.001  0.323  0.034  1.0
  F  F14  1  0.499  0.323  0.034  1.0
  F  F15  1  0.501  0.677  0.966  1.0
  F  F16  1  0.750  0.990  0.738  1.0
  F  F17  1  0.250  0.010  0.262  1.0
[/CIF]
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The crystal structure described by KBeTmF6 crystallizes in the monoclinic P2_1/m space group. K(1) is bonded in a 12-coordinate geometry to one F(2), three equivalent F(4), four equivalent F(1), and four equivalent F(3) atoms. Be(1) is bonded in a tetrahedral geometry to one F(2), one F(4), and two equivalent F(1) atoms. Tm(1) is bonded in a 8-coordinate geometry to one F(2), one F(4), two equivalent F(1), and four equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Be(1), and one Tm(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Be(1), and one Tm(1) atom. In the third F site, F(3) is bonded to two equivalent K(1) and two equivalent Tm(1) atoms to form a mixture of distorted edge and corner-sharing FK2Tm2 tetrahedra. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to three equivalent K(1), one Be(1), and one Tm(1) atom. is represented by the CIF file [CIF]
data_KTmBeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.767
_cell_length_b   6.405
_cell_length_c   7.034
_cell_angle_alpha   113.137
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   238.882
_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  0.750  0.071  0.203  1.0
  K  K1  1  0.250  0.929  0.797  1.0
  Tm  Tm2  1  0.750  0.390  0.821  1.0
  Tm  Tm3  1  0.250  0.610  0.179  1.0
  Be  Be4  1  0.750  0.766  0.536  1.0
  Be  Be5  1  0.250  0.234  0.464  1.0
  F  F6  1  0.968  0.766  0.403  1.0
  F  F7  1  0.032  0.234  0.597  1.0
  F  F8  1  0.468  0.234  0.597  1.0
  F  F9  1  0.532  0.766  0.403  1.0
  F  F10  1  0.750  0.558  0.594  1.0
  F  F11  1  0.250  0.442  0.406  1.0
  F  F12  1  0.999  0.677  0.966  1.0
  F  F13  1  0.001  0.323  0.034  1.0
  F  F14  1  0.499  0.323  0.034  1.0
  F  F15  1  0.501  0.677  0.966  1.0
  F  F16  1  0.750  0.990  0.738  1.0
  F  F17  1  0.250  0.010  0.262  1.0
[/CIF]
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