The structure described by KLaF4 crystallizes in the monoclinic Cm space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one F(2), one F(3), one F(5), two equivalent F(7), two equivalent F(8), and two equivalent F(9) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one F(1), one F(4), one F(6), two equivalent F(7), two equivalent F(8), and two equivalent F(9) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to one F(1), one F(3), one F(5), two equivalent F(7), two equivalent F(8), and two equivalent F(9) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one F(2), one F(4), one F(6), two equivalent F(7), two equivalent F(8), and two equivalent F(9) atoms. There are nine inequivalent F sites. In the first F site, F(1) is bonded to one K(2), one K(3), and two equivalent La(1) atoms to form FK2La2 tetrahedra that share  a cornercorner with one F(5)K2La2 tetrahedra,  a cornercorner with one F(4)KLa3 tetrahedra, corners with two equivalent F(2)KLa3 tetrahedra, corners with three equivalent F(3)K2La2 tetrahedra, corners with three equivalent F(6)KLa3 tetrahedra,  an edgeedge with one F(5)K2La2 tetrahedra, and  an edgeedge with one F(4)KLa3 tetrahedra. In the second F site, F(2) is bonded to one K(1), one La(2), and two equivalent La(1) atoms to form FKLa3 tetrahedra that share  a cornercorner with one F(3)K2La2 tetrahedra,  a cornercorner with one F(6)KLa3 tetrahedra, corners with two equivalent F(1)K2La2 tetrahedra, corners with three equivalent F(5)K2La2 tetrahedra, corners with three equivalent F(4)KLa3 tetrahedra,  an edgeedge with one F(3)K2La2 tetrahedra, and  an edgeedge with one F(6)KLa3 tetrahedra. In the third F site, F(3) is bonded to one K(1), one K(3), and two equivalent La(1) atoms to form FK2La2 tetrahedra that share  a cornercorner with one F(2)KLa3 tetrahedra, corners with two equivalent F(4)KLa3 tetrahedra, corners with three equivalent F(1)K2La2 tetrahedra, corners with four equivalent F(5)K2La2 tetrahedra,  an edgeedge with one F(2)KLa3 tetrahedra, and  an edgeedge with one F(6)KLa3 tetrahedra. In the fourth F site, F(4) is bonded to one K(2), one La(2), and two equivalent La(1) atoms to form FKLa3 tetrahedra that share  a cornercorner with one F(1)K2La2 tetrahedra, corners with two equivalent F(3)K2La2 tetrahedra, corners with three equivalent F(2)KLa3 tetrahedra, corners with four equivalent F(6)KLa3 tetrahedra,  an edgeedge with one F(1)K2La2 tetrahedra, and  an edgeedge with one F(5)K2La2 tetrahedra. In the fifth F site, F(5) is bonded to one K(1), one K(3), and two equivalent La(1) atoms to form FK2La2 tetrahedra that share  a cornercorner with one F(1)K2La2 tetrahedra, corners with two equivalent F(6)KLa3 tetrahedra, corners with three equivalent F(2)KLa3 tetrahedra, corners with four equivalent F(3)K2La2 tetrahedra,  an edgeedge with one F(1)K2La2 tetrahedra, and  an edgeedge with one F(4)KLa3 tetrahedra. In the sixth F site, F(6) is bonded to one K(2), one La(2), and two equivalent La(1) atoms to form FKLa3 tetrahedra that share  a cornercorner with one F(2)KLa3 tetrahedra, corners with two equivalent F(5)K2La2 tetrahedra, corners with three equivalent F(1)K2La2 tetrahedra, corners with four equivalent F(4)KLa3 tetrahedra,  an edgeedge with one F(3)K2La2 tetrahedra, and  an edgeedge with one F(2)KLa3 tetrahedra. In the seventh F site, F(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one La(1), and one La(2) atom. In the eighth F site, F(8) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one La(1), and one La(2) atom. In the ninth F site, F(9) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one La(1), and one La(2) atom. is represented by the CIF card [CIF]
data_KLaF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.526
_cell_length_b   7.500
_cell_length_c   7.500
_cell_angle_alpha   60.482
_cell_angle_beta   115.658
_cell_angle_gamma   115.658
_symmetry_Int_Tables_number   1
_cell_volume   276.428
_cell_formula_units_Z   3
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  0.340  0.076  0.576  1.0
  K  K1  1  0.335  0.592  0.092  1.0
  K  K2  1  0.668  0.917  0.417  1.0
  La  La3  1  0.000  0.000  0.000  1.0
  La  La4  1  0.000  0.500  0.500  1.0
  La  La5  1  0.665  0.416  0.916  1.0
  F  F6  1  0.232  0.753  0.253  1.0
  F  F7  1  0.248  0.245  0.745  1.0
  F  F8  1  0.773  0.134  0.634  1.0
  F  F9  1  0.745  0.627  0.127  1.0
  F  F10  1  1.000  0.867  0.367  1.0
  F  F11  1  0.003  0.377  0.877  1.0
  F  F12  1  0.637  0.493  0.544  1.0
  F  F13  1  0.637  0.044  0.993  1.0
  F  F14  1  0.401  0.208  0.154  1.0
  F  F15  1  0.401  0.654  0.708  1.0
  F  F16  1  0.957  0.771  0.827  1.0
  F  F17  1  0.957  0.327  0.271  1.0
[/CIF]
.
The structure described by KLaF4 crystallizes in the monoclinic Cm space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one F(2), one F(3), one F(5), two equivalent F(7), two equivalent F(8), and two equivalent F(9) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to one F(1), one F(4), one F(6), two equivalent F(7), two equivalent F(8), and two equivalent F(9) atoms. In the third K site, K(3) is bonded in a 9-coordinate geometry to one F(1), one F(3), one F(5), two equivalent F(7), two equivalent F(8), and two equivalent F(9) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), one F(7), one F(8), and one F(9) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one F(2), one F(4), one F(6), two equivalent F(7), two equivalent F(8), and two equivalent F(9) atoms. There are nine inequivalent F sites. In the first F site, F(1) is bonded to one K(2), one K(3), and two equivalent La(1) atoms to form FK2La2 tetrahedra that share  a cornercorner with one F(5)K2La2 tetrahedra,  a cornercorner with one F(4)KLa3 tetrahedra, corners with two equivalent F(2)KLa3 tetrahedra, corners with three equivalent F(3)K2La2 tetrahedra, corners with three equivalent F(6)KLa3 tetrahedra,  an edgeedge with one F(5)K2La2 tetrahedra, and  an edgeedge with one F(4)KLa3 tetrahedra. In the second F site, F(2) is bonded to one K(1), one La(2), and two equivalent La(1) atoms to form FKLa3 tetrahedra that share  a cornercorner with one F(3)K2La2 tetrahedra,  a cornercorner with one F(6)KLa3 tetrahedra, corners with two equivalent F(1)K2La2 tetrahedra, corners with three equivalent F(5)K2La2 tetrahedra, corners with three equivalent F(4)KLa3 tetrahedra,  an edgeedge with one F(3)K2La2 tetrahedra, and  an edgeedge with one F(6)KLa3 tetrahedra. In the third F site, F(3) is bonded to one K(1), one K(3), and two equivalent La(1) atoms to form FK2La2 tetrahedra that share  a cornercorner with one F(2)KLa3 tetrahedra, corners with two equivalent F(4)KLa3 tetrahedra, corners with three equivalent F(1)K2La2 tetrahedra, corners with four equivalent F(5)K2La2 tetrahedra,  an edgeedge with one F(2)KLa3 tetrahedra, and  an edgeedge with one F(6)KLa3 tetrahedra. In the fourth F site, F(4) is bonded to one K(2), one La(2), and two equivalent La(1) atoms to form FKLa3 tetrahedra that share  a cornercorner with one F(1)K2La2 tetrahedra, corners with two equivalent F(3)K2La2 tetrahedra, corners with three equivalent F(2)KLa3 tetrahedra, corners with four equivalent F(6)KLa3 tetrahedra,  an edgeedge with one F(1)K2La2 tetrahedra, and  an edgeedge with one F(5)K2La2 tetrahedra. In the fifth F site, F(5) is bonded to one K(1), one K(3), and two equivalent La(1) atoms to form FK2La2 tetrahedra that share  a cornercorner with one F(1)K2La2 tetrahedra, corners with two equivalent F(6)KLa3 tetrahedra, corners with three equivalent F(2)KLa3 tetrahedra, corners with four equivalent F(3)K2La2 tetrahedra,  an edgeedge with one F(1)K2La2 tetrahedra, and  an edgeedge with one F(4)KLa3 tetrahedra. In the sixth F site, F(6) is bonded to one K(2), one La(2), and two equivalent La(1) atoms to form FKLa3 tetrahedra that share  a cornercorner with one F(2)KLa3 tetrahedra, corners with two equivalent F(5)K2La2 tetrahedra, corners with three equivalent F(1)K2La2 tetrahedra, corners with four equivalent F(4)KLa3 tetrahedra,  an edgeedge with one F(3)K2La2 tetrahedra, and  an edgeedge with one F(2)KLa3 tetrahedra. In the seventh F site, F(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one La(1), and one La(2) atom. In the eighth F site, F(8) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one La(1), and one La(2) atom. In the ninth F site, F(9) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), one La(1), and one La(2) atom. is represented by the CIF card [CIF]
data_KLaF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.526
_cell_length_b   7.500
_cell_length_c   7.500
_cell_angle_alpha   60.482
_cell_angle_beta   115.658
_cell_angle_gamma   115.658
_symmetry_Int_Tables_number   1
_cell_volume   276.428
_cell_formula_units_Z   3
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  0.340  0.076  0.576  1.0
  K  K1  1  0.335  0.592  0.092  1.0
  K  K2  1  0.668  0.917  0.417  1.0
  La  La3  1  0.000  0.000  0.000  1.0
  La  La4  1  0.000  0.500  0.500  1.0
  La  La5  1  0.665  0.416  0.916  1.0
  F  F6  1  0.232  0.753  0.253  1.0
  F  F7  1  0.248  0.245  0.745  1.0
  F  F8  1  0.773  0.134  0.634  1.0
  F  F9  1  0.745  0.627  0.127  1.0
  F  F10  1  1.000  0.867  0.367  1.0
  F  F11  1  0.003  0.377  0.877  1.0
  F  F12  1  0.637  0.493  0.544  1.0
  F  F13  1  0.637  0.044  0.993  1.0
  F  F14  1  0.401  0.208  0.154  1.0
  F  F15  1  0.401  0.654  0.708  1.0
  F  F16  1  0.957  0.771  0.827  1.0
  F  F17  1  0.957  0.327  0.271  1.0
[/CIF]
.