The material described by KLiDyF5 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Li(1) is bonded to one F(2), one F(4), one F(5), and two equivalent F(1) atoms to form distorted corner-sharing LiF5 trigonal pyramids. Dy(1) is bonded in a 8-coordinate geometry to one F(1), one F(5), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Li(1), and one Dy(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to two equivalent K(1), one Li(1), and two equivalent Dy(1) atoms. In the third F site, F(3) is bonded to two equivalent K(1) and two equivalent Dy(1) atoms to form distorted FK2Dy2 tetrahedra that share corners with four equivalent F(5)K2LiDy tetrahedra,  an edgeedge with one F(5)K2LiDy tetrahedra, and edges with two equivalent F(3)K2Dy2 tetrahedra. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one K(1), one Li(1), and two equivalent Dy(1) atoms. In the fifth F site, F(5) is bonded to two equivalent K(1), one Li(1), and one Dy(1) atom to form distorted FK2LiDy tetrahedra that share corners with two equivalent F(5)K2LiDy tetrahedra, corners with four equivalent F(3)K2Dy2 tetrahedra, and  an edgeedge with one F(3)K2Dy2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLiDyF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.435
_cell_length_b   6.263
_cell_length_c   11.661
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.582
_symmetry_Int_Tables_number   1
_cell_volume   430.706
_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  0.947  0.963  0.349  1.0
  K  K1  1  0.053  0.037  0.651  1.0
  K  K2  1  0.053  0.537  0.849  1.0
  K  K3  1  0.947  0.463  0.151  1.0
  Li  Li4  1  0.559  0.961  0.745  1.0
  Li  Li5  1  0.441  0.039  0.255  1.0
  Li  Li6  1  0.441  0.539  0.245  1.0
  Li  Li7  1  0.559  0.461  0.755  1.0
  Dy  Dy8  1  0.682  0.820  0.997  1.0
  Dy  Dy9  1  0.318  0.180  0.003  1.0
  Dy  Dy10  1  0.318  0.680  0.497  1.0
  Dy  Dy11  1  0.682  0.320  0.503  1.0
  F  F12  1  0.721  0.777  0.803  1.0
  F  F13  1  0.279  0.223  0.197  1.0
  F  F14  1  0.279  0.723  0.303  1.0
  F  F15  1  0.721  0.277  0.697  1.0
  F  F16  1  0.666  0.951  0.532  1.0
  F  F17  1  0.334  0.049  0.468  1.0
  F  F18  1  0.334  0.549  0.032  1.0
  F  F19  1  0.666  0.451  0.968  1.0
  F  F20  1  0.956  0.675  0.507  1.0
  F  F21  1  0.044  0.325  0.493  1.0
  F  F22  1  0.044  0.825  0.007  1.0
  F  F23  1  0.956  0.175  0.993  1.0
  F  F24  1  0.463  0.965  0.894  1.0
  F  F25  1  0.537  0.035  0.106  1.0
  F  F26  1  0.537  0.535  0.394  1.0
  F  F27  1  0.463  0.465  0.606  1.0
  F  F28  1  0.289  0.781  0.675  1.0
  F  F29  1  0.711  0.219  0.325  1.0
  F  F30  1  0.711  0.719  0.175  1.0
  F  F31  1  0.289  0.281  0.825  1.0
[/CIF]
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The material described by KLiDyF5 crystallizes in the monoclinic P2_1/c space group. K(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Li(1) is bonded to one F(2), one F(4), one F(5), and two equivalent F(1) atoms to form distorted corner-sharing LiF5 trigonal pyramids. Dy(1) is bonded in a 8-coordinate geometry to one F(1), one F(5), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Li(1), and one Dy(1) atom. In the second F site, F(2) is bonded in a 5-coordinate geometry to two equivalent K(1), one Li(1), and two equivalent Dy(1) atoms. In the third F site, F(3) is bonded to two equivalent K(1) and two equivalent Dy(1) atoms to form distorted FK2Dy2 tetrahedra that share corners with four equivalent F(5)K2LiDy tetrahedra,  an edgeedge with one F(5)K2LiDy tetrahedra, and edges with two equivalent F(3)K2Dy2 tetrahedra. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one K(1), one Li(1), and two equivalent Dy(1) atoms. In the fifth F site, F(5) is bonded to two equivalent K(1), one Li(1), and one Dy(1) atom to form distorted FK2LiDy tetrahedra that share corners with two equivalent F(5)K2LiDy tetrahedra, corners with four equivalent F(3)K2Dy2 tetrahedra, and  an edgeedge with one F(3)K2Dy2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLiDyF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.435
_cell_length_b   6.263
_cell_length_c   11.661
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   113.582
_symmetry_Int_Tables_number   1
_cell_volume   430.706
_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  0.947  0.963  0.349  1.0
  K  K1  1  0.053  0.037  0.651  1.0
  K  K2  1  0.053  0.537  0.849  1.0
  K  K3  1  0.947  0.463  0.151  1.0
  Li  Li4  1  0.559  0.961  0.745  1.0
  Li  Li5  1  0.441  0.039  0.255  1.0
  Li  Li6  1  0.441  0.539  0.245  1.0
  Li  Li7  1  0.559  0.461  0.755  1.0
  Dy  Dy8  1  0.682  0.820  0.997  1.0
  Dy  Dy9  1  0.318  0.180  0.003  1.0
  Dy  Dy10  1  0.318  0.680  0.497  1.0
  Dy  Dy11  1  0.682  0.320  0.503  1.0
  F  F12  1  0.721  0.777  0.803  1.0
  F  F13  1  0.279  0.223  0.197  1.0
  F  F14  1  0.279  0.723  0.303  1.0
  F  F15  1  0.721  0.277  0.697  1.0
  F  F16  1  0.666  0.951  0.532  1.0
  F  F17  1  0.334  0.049  0.468  1.0
  F  F18  1  0.334  0.549  0.032  1.0
  F  F19  1  0.666  0.451  0.968  1.0
  F  F20  1  0.956  0.675  0.507  1.0
  F  F21  1  0.044  0.325  0.493  1.0
  F  F22  1  0.044  0.825  0.007  1.0
  F  F23  1  0.956  0.175  0.993  1.0
  F  F24  1  0.463  0.965  0.894  1.0
  F  F25  1  0.537  0.035  0.106  1.0
  F  F26  1  0.537  0.535  0.394  1.0
  F  F27  1  0.463  0.465  0.606  1.0
  F  F28  1  0.289  0.781  0.675  1.0
  F  F29  1  0.711  0.219  0.325  1.0
  F  F30  1  0.711  0.719  0.175  1.0
  F  F31  1  0.289  0.281  0.825  1.0
[/CIF]
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