The material described by K3Al4P2O8F9 crystallizes in the monoclinic P2_1/m 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(3), one O(4), one F(3), one F(6), and two equivalent F(2) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), one F(1), one F(4), one F(5), and two equivalent F(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(4), one F(2), one F(3), one F(4), and one F(6) atom to form AlO2F4 octahedra that share  a cornercorner with one Al(1)O2F4 octahedra,  a cornercorner with one Al(2)O2F4 octahedra,  a cornercorner with one Al(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-35°. In the second Al site, Al(2) is bonded to two equivalent O(1), one F(1), one F(5), and two equivalent F(3) atoms to form AlO2F4 octahedra that share corners with two equivalent Al(1)O2F4 octahedra, corners with two equivalent Al(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-50°. In the third Al site, Al(3) is bonded to two equivalent O(3), one F(1), one F(5), and two equivalent F(6) atoms to form AlO2F4 octahedra that share corners with two equivalent Al(1)O2F4 octahedra, corners with two equivalent Al(2)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-50°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Al(2)O2F4 octahedra,  a cornercorner with one Al(3)O2F4 octahedra, and corners with two equivalent Al(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Al(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(2), one Al(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one Al(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Al(1), and one P(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one K(2), one Al(2), and one Al(3) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Al(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one K(1), one Al(1), and one Al(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one K(2) and two equivalent Al(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one K(2), one Al(2), and one Al(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one K(1), one Al(1), and one Al(3) atom. is represented by the CIF file [CIF]
data_K3Al4P2O8F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.026
_cell_length_b   6.826
_cell_length_c   7.386
_cell_angle_alpha   73.891
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   679.419
_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  0.510  0.812  0.791  1.0
  K  K1  1  0.490  0.188  0.209  1.0
  K  K2  1  0.750  0.080  0.459  1.0
  K  K3  1  0.010  0.188  0.209  1.0
  K  K4  1  0.990  0.812  0.791  1.0
  K  K5  1  0.250  0.920  0.541  1.0
  Al  Al6  1  0.378  0.328  0.681  1.0
  Al  Al7  1  0.250  0.973  0.052  1.0
  Al  Al8  1  0.250  0.484  0.039  1.0
  Al  Al9  1  0.878  0.672  0.319  1.0
  Al  Al10  1  0.622  0.672  0.319  1.0
  Al  Al11  1  0.122  0.328  0.681  1.0
  Al  Al12  1  0.750  0.027  0.948  1.0
  Al  Al13  1  0.750  0.516  0.961  1.0
  P  P14  1  0.102  0.653  0.285  1.0
  P  P15  1  0.898  0.347  0.715  1.0
  P  P16  1  0.398  0.653  0.285  1.0
  P  P17  1  0.602  0.347  0.715  1.0
  O  O18  1  0.846  0.138  0.777  1.0
  O  O19  1  0.105  0.577  0.502  1.0
  O  O20  1  0.650  0.501  0.805  1.0
  O  O21  1  0.895  0.423  0.498  1.0
  O  O22  1  0.002  0.317  0.789  1.0
  O  O23  1  0.605  0.423  0.498  1.0
  O  O24  1  0.346  0.862  0.223  1.0
  O  O25  1  0.150  0.499  0.195  1.0
  O  O26  1  0.654  0.138  0.777  1.0
  O  O27  1  0.154  0.862  0.223  1.0
  O  O28  1  0.350  0.499  0.195  1.0
  O  O29  1  0.395  0.577  0.502  1.0
  O  O30  1  0.498  0.317  0.789  1.0
  O  O31  1  0.850  0.501  0.805  1.0
  O  O32  1  0.998  0.683  0.211  1.0
  O  O33  1  0.502  0.683  0.211  1.0
  F  F34  1  0.250  0.205  0.132  1.0
  F  F35  1  0.092  0.155  0.546  1.0
  F  F36  1  0.750  0.795  0.868  1.0
  F  F37  1  0.156  0.091  0.879  1.0
  F  F38  1  0.250  0.323  0.610  1.0
  F  F39  1  0.344  0.091  0.879  1.0
  F  F40  1  0.250  0.766  0.935  1.0
  F  F41  1  0.661  0.527  0.147  1.0
  F  F42  1  0.750  0.234  0.065  1.0
  F  F43  1  0.750  0.677  0.390  1.0
  F  F44  1  0.161  0.473  0.853  1.0
  F  F45  1  0.408  0.155  0.546  1.0
  F  F46  1  0.908  0.845  0.454  1.0
  F  F47  1  0.839  0.527  0.147  1.0
  F  F48  1  0.339  0.473  0.853  1.0
  F  F49  1  0.592  0.845  0.454  1.0
  F  F50  1  0.844  0.909  0.121  1.0
  F  F51  1  0.656  0.909  0.121  1.0
[/CIF]
.
The material described by K3Al4P2O8F9 crystallizes in the monoclinic P2_1/m 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(3), one O(4), one F(3), one F(6), and two equivalent F(2) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to two equivalent O(1), two equivalent O(2), one F(1), one F(4), one F(5), and two equivalent F(2) atoms. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(4), one F(2), one F(3), one F(4), and one F(6) atom to form AlO2F4 octahedra that share  a cornercorner with one Al(1)O2F4 octahedra,  a cornercorner with one Al(2)O2F4 octahedra,  a cornercorner with one Al(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-35°. In the second Al site, Al(2) is bonded to two equivalent O(1), one F(1), one F(5), and two equivalent F(3) atoms to form AlO2F4 octahedra that share corners with two equivalent Al(1)O2F4 octahedra, corners with two equivalent Al(3)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-50°. In the third Al site, Al(3) is bonded to two equivalent O(3), one F(1), one F(5), and two equivalent F(6) atoms to form AlO2F4 octahedra that share corners with two equivalent Al(1)O2F4 octahedra, corners with two equivalent Al(2)O2F4 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-50°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Al(2)O2F4 octahedra,  a cornercorner with one Al(3)O2F4 octahedra, and corners with two equivalent Al(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one K(2), one Al(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(2), one Al(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one Al(3), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Al(1), and one P(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one K(2), one Al(2), and one Al(3) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one K(2), two equivalent K(1), and one Al(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one K(1), one Al(1), and one Al(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one K(2) and two equivalent Al(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one K(2), one Al(2), and one Al(3) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one K(1), one Al(1), and one Al(3) atom. is represented by the CIF file [CIF]
data_K3Al4P2O8F9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.026
_cell_length_b   6.826
_cell_length_c   7.386
_cell_angle_alpha   73.891
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   679.419
_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  0.510  0.812  0.791  1.0
  K  K1  1  0.490  0.188  0.209  1.0
  K  K2  1  0.750  0.080  0.459  1.0
  K  K3  1  0.010  0.188  0.209  1.0
  K  K4  1  0.990  0.812  0.791  1.0
  K  K5  1  0.250  0.920  0.541  1.0
  Al  Al6  1  0.378  0.328  0.681  1.0
  Al  Al7  1  0.250  0.973  0.052  1.0
  Al  Al8  1  0.250  0.484  0.039  1.0
  Al  Al9  1  0.878  0.672  0.319  1.0
  Al  Al10  1  0.622  0.672  0.319  1.0
  Al  Al11  1  0.122  0.328  0.681  1.0
  Al  Al12  1  0.750  0.027  0.948  1.0
  Al  Al13  1  0.750  0.516  0.961  1.0
  P  P14  1  0.102  0.653  0.285  1.0
  P  P15  1  0.898  0.347  0.715  1.0
  P  P16  1  0.398  0.653  0.285  1.0
  P  P17  1  0.602  0.347  0.715  1.0
  O  O18  1  0.846  0.138  0.777  1.0
  O  O19  1  0.105  0.577  0.502  1.0
  O  O20  1  0.650  0.501  0.805  1.0
  O  O21  1  0.895  0.423  0.498  1.0
  O  O22  1  0.002  0.317  0.789  1.0
  O  O23  1  0.605  0.423  0.498  1.0
  O  O24  1  0.346  0.862  0.223  1.0
  O  O25  1  0.150  0.499  0.195  1.0
  O  O26  1  0.654  0.138  0.777  1.0
  O  O27  1  0.154  0.862  0.223  1.0
  O  O28  1  0.350  0.499  0.195  1.0
  O  O29  1  0.395  0.577  0.502  1.0
  O  O30  1  0.498  0.317  0.789  1.0
  O  O31  1  0.850  0.501  0.805  1.0
  O  O32  1  0.998  0.683  0.211  1.0
  O  O33  1  0.502  0.683  0.211  1.0
  F  F34  1  0.250  0.205  0.132  1.0
  F  F35  1  0.092  0.155  0.546  1.0
  F  F36  1  0.750  0.795  0.868  1.0
  F  F37  1  0.156  0.091  0.879  1.0
  F  F38  1  0.250  0.323  0.610  1.0
  F  F39  1  0.344  0.091  0.879  1.0
  F  F40  1  0.250  0.766  0.935  1.0
  F  F41  1  0.661  0.527  0.147  1.0
  F  F42  1  0.750  0.234  0.065  1.0
  F  F43  1  0.750  0.677  0.390  1.0
  F  F44  1  0.161  0.473  0.853  1.0
  F  F45  1  0.408  0.155  0.546  1.0
  F  F46  1  0.908  0.845  0.454  1.0
  F  F47  1  0.839  0.527  0.147  1.0
  F  F48  1  0.339  0.473  0.853  1.0
  F  F49  1  0.592  0.845  0.454  1.0
  F  F50  1  0.844  0.909  0.121  1.0
  F  F51  1  0.656  0.909  0.121  1.0
[/CIF]
.