The material described by K5La4Si4O16F crystallizes in the tetragonal I-4 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), and four equivalent O(3) atoms. In the second K site, K(2) is bonded in a distorted q6 geometry to four equivalent O(1), four equivalent O(4), and two equivalent F(1) atoms. La(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(4), three equivalent O(2), and one F(1) atom. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to four equivalent K(1), one La(1), and one Si(1) atom. In the second O site, O(4) is bonded in a 1-coordinate geometry to one K(1), one K(2), two equivalent La(1), and one Si(1) atom. In the third O site, O(1) is bonded in a 1-coordinate geometry to one K(1), one K(2), two equivalent La(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one K(1), three equivalent La(1), and one Si(1) atom. F(1) is bonded to two equivalent K(2) and four equivalent La(1) atoms to form corner-sharing FK2La4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5La4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.334
_cell_length_b   9.334
_cell_length_c   9.334
_cell_angle_alpha   95.109
_cell_angle_beta   95.109
_cell_angle_gamma   145.277
_symmetry_Int_Tables_number   1
_cell_volume   442.044
_cell_formula_units_Z   1
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  0.600  0.091  0.694  1.0
  K  K1  1  0.397  0.906  0.306  1.0
  K  K2  1  0.909  0.603  0.510  1.0
  K  K3  1  0.094  0.400  0.490  1.0
  K  K4  1  0.500  0.500  0.000  1.0
  La  La5  1  0.111  0.806  0.935  1.0
  La  La6  1  0.871  0.176  0.065  1.0
  La  La7  1  0.194  0.129  0.305  1.0
  La  La8  1  0.824  0.889  0.695  1.0
  Si  Si9  1  0.749  0.401  0.144  1.0
  Si  Si10  1  0.257  0.605  0.856  1.0
  Si  Si11  1  0.599  0.743  0.348  1.0
  Si  Si12  1  0.395  0.251  0.652  1.0
  O  O13  1  0.950  0.708  0.169  1.0
  O  O14  1  0.539  0.781  0.831  1.0
  O  O15  1  0.292  0.461  0.242  1.0
  O  O16  1  0.219  0.050  0.758  1.0
  O  O17  1  0.722  0.301  0.975  1.0
  O  O18  1  0.326  0.747  0.025  1.0
  O  O19  1  0.699  0.674  0.421  1.0
  O  O20  1  0.253  0.278  0.579  1.0
  O  O21  1  0.120  0.611  0.738  1.0
  O  O22  1  0.873  0.382  0.262  1.0
  O  O23  1  0.389  0.127  0.509  1.0
  O  O24  1  0.618  0.880  0.491  1.0
  O  O25  1  0.055  0.300  0.842  1.0
  O  O26  1  0.458  0.212  0.158  1.0
  O  O27  1  0.700  0.542  0.755  1.0
  O  O28  1  0.788  0.945  0.245  1.0
  F  F29  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by K5La4Si4O16F crystallizes in the tetragonal I-4 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), and four equivalent O(3) atoms. In the second K site, K(2) is bonded in a distorted q6 geometry to four equivalent O(1), four equivalent O(4), and two equivalent F(1) atoms. La(1) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(4), three equivalent O(2), and one F(1) atom. Si(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to four equivalent K(1), one La(1), and one Si(1) atom. In the second O site, O(4) is bonded in a 1-coordinate geometry to one K(1), one K(2), two equivalent La(1), and one Si(1) atom. In the third O site, O(1) is bonded in a 1-coordinate geometry to one K(1), one K(2), two equivalent La(1), and one Si(1) atom. In the fourth O site, O(2) is bonded in a 1-coordinate geometry to one K(1), three equivalent La(1), and one Si(1) atom. F(1) is bonded to two equivalent K(2) and four equivalent La(1) atoms to form corner-sharing FK2La4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5La4Si4O16F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.334
_cell_length_b   9.334
_cell_length_c   9.334
_cell_angle_alpha   95.109
_cell_angle_beta   95.109
_cell_angle_gamma   145.277
_symmetry_Int_Tables_number   1
_cell_volume   442.044
_cell_formula_units_Z   1
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  0.600  0.091  0.694  1.0
  K  K1  1  0.397  0.906  0.306  1.0
  K  K2  1  0.909  0.603  0.510  1.0
  K  K3  1  0.094  0.400  0.490  1.0
  K  K4  1  0.500  0.500  0.000  1.0
  La  La5  1  0.111  0.806  0.935  1.0
  La  La6  1  0.871  0.176  0.065  1.0
  La  La7  1  0.194  0.129  0.305  1.0
  La  La8  1  0.824  0.889  0.695  1.0
  Si  Si9  1  0.749  0.401  0.144  1.0
  Si  Si10  1  0.257  0.605  0.856  1.0
  Si  Si11  1  0.599  0.743  0.348  1.0
  Si  Si12  1  0.395  0.251  0.652  1.0
  O  O13  1  0.950  0.708  0.169  1.0
  O  O14  1  0.539  0.781  0.831  1.0
  O  O15  1  0.292  0.461  0.242  1.0
  O  O16  1  0.219  0.050  0.758  1.0
  O  O17  1  0.722  0.301  0.975  1.0
  O  O18  1  0.326  0.747  0.025  1.0
  O  O19  1  0.699  0.674  0.421  1.0
  O  O20  1  0.253  0.278  0.579  1.0
  O  O21  1  0.120  0.611  0.738  1.0
  O  O22  1  0.873  0.382  0.262  1.0
  O  O23  1  0.389  0.127  0.509  1.0
  O  O24  1  0.618  0.880  0.491  1.0
  O  O25  1  0.055  0.300  0.842  1.0
  O  O26  1  0.458  0.212  0.158  1.0
  O  O27  1  0.700  0.542  0.755  1.0
  O  O28  1  0.788  0.945  0.245  1.0
  F  F29  1  0.000  0.000  0.000  1.0
[/CIF]
.