The material structure described by KLaF4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 7-coordinate geometry to one F(3), two equivalent F(1), and four equivalent F(4) atoms. La(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), three equivalent F(2), and three equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent K(1) and two equivalent La(1) atoms to form FK2La2 tetrahedra that share corners with four equivalent F(1)K2La2 tetrahedra, corners with six equivalent F(3)KLa3 tetrahedra, and  an edgeedge with one F(3)KLa3 tetrahedra. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent La(1) atoms. In the third F site, F(3) is bonded to one K(1) and three equivalent La(1) atoms to form FKLa3 tetrahedra that share corners with two equivalent F(3)KLa3 tetrahedra, corners with six equivalent F(1)K2La2 tetrahedra,  an edgeedge with one F(1)K2La2 tetrahedra, and edges with two equivalent F(3)KLa3 tetrahedra. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to four equivalent K(1) and one La(1) atom. is represented by the CIF card [CIF]
data_KLaF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.835
_cell_length_b   6.296
_cell_length_c   15.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   376.400
_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  0.250  0.723  0.702  1.0
  K  K1  1  0.750  0.277  0.298  1.0
  K  K2  1  0.750  0.777  0.202  1.0
  K  K3  1  0.250  0.223  0.798  1.0
  La  La4  1  0.250  0.251  0.063  1.0
  La  La5  1  0.750  0.749  0.937  1.0
  La  La6  1  0.750  0.249  0.563  1.0
  La  La7  1  0.250  0.751  0.437  1.0
  F  F8  1  0.250  0.602  0.863  1.0
  F  F9  1  0.750  0.398  0.137  1.0
  F  F10  1  0.750  0.898  0.363  1.0
  F  F11  1  0.250  0.102  0.637  1.0
  F  F12  1  0.250  0.639  0.037  1.0
  F  F13  1  0.750  0.361  0.963  1.0
  F  F14  1  0.750  0.861  0.537  1.0
  F  F15  1  0.250  0.139  0.463  1.0
  F  F16  1  0.250  0.505  0.560  1.0
  F  F17  1  0.750  0.495  0.440  1.0
  F  F18  1  0.750  0.995  0.060  1.0
  F  F19  1  0.250  0.005  0.940  1.0
  F  F20  1  0.250  0.586  0.303  1.0
  F  F21  1  0.750  0.414  0.697  1.0
  F  F22  1  0.750  0.914  0.803  1.0
  F  F23  1  0.250  0.086  0.197  1.0
[/CIF]
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The material structure described by KLaF4 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 7-coordinate geometry to one F(3), two equivalent F(1), and four equivalent F(4) atoms. La(1) is bonded in a 9-coordinate geometry to one F(4), two equivalent F(1), three equivalent F(2), and three equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent K(1) and two equivalent La(1) atoms to form FK2La2 tetrahedra that share corners with four equivalent F(1)K2La2 tetrahedra, corners with six equivalent F(3)KLa3 tetrahedra, and  an edgeedge with one F(3)KLa3 tetrahedra. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent La(1) atoms. In the third F site, F(3) is bonded to one K(1) and three equivalent La(1) atoms to form FKLa3 tetrahedra that share corners with two equivalent F(3)KLa3 tetrahedra, corners with six equivalent F(1)K2La2 tetrahedra,  an edgeedge with one F(1)K2La2 tetrahedra, and edges with two equivalent F(3)KLa3 tetrahedra. In the fourth F site, F(4) is bonded in a 5-coordinate geometry to four equivalent K(1) and one La(1) atom. is represented by the CIF card [CIF]
data_KLaF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.835
_cell_length_b   6.296
_cell_length_c   15.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   376.400
_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  0.250  0.723  0.702  1.0
  K  K1  1  0.750  0.277  0.298  1.0
  K  K2  1  0.750  0.777  0.202  1.0
  K  K3  1  0.250  0.223  0.798  1.0
  La  La4  1  0.250  0.251  0.063  1.0
  La  La5  1  0.750  0.749  0.937  1.0
  La  La6  1  0.750  0.249  0.563  1.0
  La  La7  1  0.250  0.751  0.437  1.0
  F  F8  1  0.250  0.602  0.863  1.0
  F  F9  1  0.750  0.398  0.137  1.0
  F  F10  1  0.750  0.898  0.363  1.0
  F  F11  1  0.250  0.102  0.637  1.0
  F  F12  1  0.250  0.639  0.037  1.0
  F  F13  1  0.750  0.361  0.963  1.0
  F  F14  1  0.750  0.861  0.537  1.0
  F  F15  1  0.250  0.139  0.463  1.0
  F  F16  1  0.250  0.505  0.560  1.0
  F  F17  1  0.750  0.495  0.440  1.0
  F  F18  1  0.750  0.995  0.060  1.0
  F  F19  1  0.250  0.005  0.940  1.0
  F  F20  1  0.250  0.586  0.303  1.0
  F  F21  1  0.750  0.414  0.697  1.0
  F  F22  1  0.750  0.914  0.803  1.0
  F  F23  1  0.250  0.086  0.197  1.0
[/CIF]
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