The crystal structure described by K3DyF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form KF6 octahedra that share corners with six equivalent Dy(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-42°. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent F(1), two equivalent F(2), and three equivalent F(3) atoms. Dy(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form DyF6 octahedra that share corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-42°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Dy(1) atom. In the second F site, F(2) is bonded to one K(1), two equivalent K(2), and one Dy(1) atom to form distorted corner-sharing FK3Dy tetrahedra. In the third F site, F(3) is bonded in a 5-coordinate geometry to one K(1), three equivalent K(2), and one Dy(1) atom. is represented by the CIF card [CIF]
data_K3DyF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.568
_cell_length_b   6.267
_cell_length_c   10.790
_cell_angle_alpha   55.930
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   367.903
_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  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.059  0.725  0.755  1.0
  K  K3  1  0.941  0.275  0.245  1.0
  K  K4  1  0.559  0.275  0.745  1.0
  K  K5  1  0.441  0.725  0.255  1.0
  Dy  Dy6  1  0.500  0.000  0.500  1.0
  Dy  Dy7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.772  0.759  0.574  1.0
  F  F9  1  0.228  0.241  0.426  1.0
  F  F10  1  0.272  0.241  0.926  1.0
  F  F11  1  0.728  0.759  0.074  1.0
  F  F12  1  0.439  0.894  0.726  1.0
  F  F13  1  0.561  0.106  0.274  1.0
  F  F14  1  0.939  0.106  0.774  1.0
  F  F15  1  0.061  0.894  0.226  1.0
  F  F16  1  0.325  0.666  0.551  1.0
  F  F17  1  0.675  0.334  0.449  1.0
  F  F18  1  0.825  0.334  0.949  1.0
  F  F19  1  0.175  0.666  0.051  1.0
[/CIF]
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The crystal structure described by K3DyF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form KF6 octahedra that share corners with six equivalent Dy(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-42°. In the second K site, K(2) is bonded in a 7-coordinate geometry to two equivalent F(1), two equivalent F(2), and three equivalent F(3) atoms. Dy(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form DyF6 octahedra that share corners with six equivalent K(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-42°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Dy(1) atom. In the second F site, F(2) is bonded to one K(1), two equivalent K(2), and one Dy(1) atom to form distorted corner-sharing FK3Dy tetrahedra. In the third F site, F(3) is bonded in a 5-coordinate geometry to one K(1), three equivalent K(2), and one Dy(1) atom. is represented by the CIF card [CIF]
data_K3DyF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.568
_cell_length_b   6.267
_cell_length_c   10.790
_cell_angle_alpha   55.930
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   367.903
_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  0.500  0.500  0.000  1.0
  K  K1  1  0.000  0.500  0.500  1.0
  K  K2  1  0.059  0.725  0.755  1.0
  K  K3  1  0.941  0.275  0.245  1.0
  K  K4  1  0.559  0.275  0.745  1.0
  K  K5  1  0.441  0.725  0.255  1.0
  Dy  Dy6  1  0.500  0.000  0.500  1.0
  Dy  Dy7  1  0.000  0.000  0.000  1.0
  F  F8  1  0.772  0.759  0.574  1.0
  F  F9  1  0.228  0.241  0.426  1.0
  F  F10  1  0.272  0.241  0.926  1.0
  F  F11  1  0.728  0.759  0.074  1.0
  F  F12  1  0.439  0.894  0.726  1.0
  F  F13  1  0.561  0.106  0.274  1.0
  F  F14  1  0.939  0.106  0.774  1.0
  F  F15  1  0.061  0.894  0.226  1.0
  F  F16  1  0.325  0.666  0.551  1.0
  F  F17  1  0.675  0.334  0.449  1.0
  F  F18  1  0.825  0.334  0.949  1.0
  F  F19  1  0.175  0.666  0.051  1.0
[/CIF]
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