The structure described by K6NbTlAs4 crystallizes in the orthorhombic Pnma space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one K(3), one As(2), one As(3), and two equivalent As(1) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(3) atoms. In the third K site, K(3) is bonded in a 13-coordinate geometry to one K(1), four equivalent K(4), one Nb(1), two equivalent Tl(1), one As(2), and four equivalent As(1) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to two equivalent K(3), two equivalent Tl(1), one As(1), one As(2), and one As(3) atom. Nb(1) is bonded in a tetrahedral geometry to one K(3), one As(2), one As(3), and two equivalent As(1) atoms. Tl(1) is bonded in a 2-coordinate geometry to two equivalent K(3), four equivalent K(4), and two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to one K(1), one K(4), two equivalent K(2), two equivalent K(3), one Nb(1), and one Tl(1) atom. In the second As site, As(2) is bonded in a 1-coordinate geometry to one K(1), one K(3), two equivalent K(2), two equivalent K(4), and one Nb(1) atom. In the third As site, As(3) is bonded in a 8-coordinate geometry to one K(1), two equivalent K(4), four equivalent K(2), and one Nb(1) atom. is represented by the CIF card [CIF]
data_K6NbTlAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.879
_cell_length_b   10.558
_cell_length_c   19.010
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1581.351
_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  0.679  0.750  0.152  1.0
  K  K1  1  0.494  0.954  0.757  1.0
  K  K2  1  0.179  0.250  0.348  1.0
  K  K3  1  0.556  0.750  0.503  1.0
  K  K4  1  0.821  0.750  0.652  1.0
  K  K5  1  0.994  0.454  0.743  1.0
  K  K6  1  0.719  0.019  0.921  1.0
  K  K7  1  0.994  0.046  0.743  1.0
  K  K8  1  0.321  0.250  0.848  1.0
  K  K9  1  0.506  0.046  0.243  1.0
  K  K10  1  0.006  0.954  0.257  1.0
  K  K11  1  0.006  0.546  0.257  1.0
  K  K12  1  0.281  0.981  0.079  1.0
  K  K13  1  0.506  0.454  0.243  1.0
  K  K14  1  0.056  0.250  0.997  1.0
  K  K15  1  0.781  0.481  0.421  1.0
  K  K16  1  0.781  0.019  0.421  1.0
  K  K17  1  0.444  0.250  0.497  1.0
  K  K18  1  0.281  0.519  0.079  1.0
  K  K19  1  0.219  0.981  0.579  1.0
  K  K20  1  0.219  0.519  0.579  1.0
  K  K21  1  0.944  0.750  0.003  1.0
  K  K22  1  0.719  0.481  0.921  1.0
  K  K23  1  0.494  0.546  0.757  1.0
  Nb  Nb24  1  0.105  0.750  0.830  1.0
  Nb  Nb25  1  0.395  0.750  0.330  1.0
  Nb  Nb26  1  0.605  0.250  0.670  1.0
  Nb  Nb27  1  0.895  0.250  0.170  1.0
  Tl  Tl28  1  0.060  0.750  0.449  1.0
  Tl  Tl29  1  0.940  0.250  0.551  1.0
  Tl  Tl30  1  0.560  0.250  0.051  1.0
  Tl  Tl31  1  0.440  0.750  0.949  1.0
  As  As32  1  0.712  0.444  0.602  1.0
  As  As33  1  0.788  0.444  0.102  1.0
  As  As34  1  0.712  0.056  0.602  1.0
  As  As35  1  0.789  0.750  0.830  1.0
  As  As36  1  0.295  0.750  0.205  1.0
  As  As37  1  0.705  0.250  0.795  1.0
  As  As38  1  0.212  0.944  0.898  1.0
  As  As39  1  0.212  0.556  0.898  1.0
  As  As40  1  0.288  0.944  0.398  1.0
  As  As41  1  0.711  0.750  0.330  1.0
  As  As42  1  0.795  0.250  0.295  1.0
  As  As43  1  0.288  0.556  0.398  1.0
  As  As44  1  0.289  0.250  0.670  1.0
  As  As45  1  0.205  0.750  0.705  1.0
  As  As46  1  0.211  0.250  0.170  1.0
  As  As47  1  0.788  0.056  0.102  1.0
[/CIF]
.
The structure described by K6NbTlAs4 crystallizes in the orthorhombic Pnma space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one K(3), one As(2), one As(3), and two equivalent As(1) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one As(2), two equivalent As(1), and two equivalent As(3) atoms. In the third K site, K(3) is bonded in a 13-coordinate geometry to one K(1), four equivalent K(4), one Nb(1), two equivalent Tl(1), one As(2), and four equivalent As(1) atoms. In the fourth K site, K(4) is bonded in a 5-coordinate geometry to two equivalent K(3), two equivalent Tl(1), one As(1), one As(2), and one As(3) atom. Nb(1) is bonded in a tetrahedral geometry to one K(3), one As(2), one As(3), and two equivalent As(1) atoms. Tl(1) is bonded in a 2-coordinate geometry to two equivalent K(3), four equivalent K(4), and two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to one K(1), one K(4), two equivalent K(2), two equivalent K(3), one Nb(1), and one Tl(1) atom. In the second As site, As(2) is bonded in a 1-coordinate geometry to one K(1), one K(3), two equivalent K(2), two equivalent K(4), and one Nb(1) atom. In the third As site, As(3) is bonded in a 8-coordinate geometry to one K(1), two equivalent K(4), four equivalent K(2), and one Nb(1) atom. is represented by the CIF card [CIF]
data_K6NbTlAs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.879
_cell_length_b   10.558
_cell_length_c   19.010
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1581.351
_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  0.679  0.750  0.152  1.0
  K  K1  1  0.494  0.954  0.757  1.0
  K  K2  1  0.179  0.250  0.348  1.0
  K  K3  1  0.556  0.750  0.503  1.0
  K  K4  1  0.821  0.750  0.652  1.0
  K  K5  1  0.994  0.454  0.743  1.0
  K  K6  1  0.719  0.019  0.921  1.0
  K  K7  1  0.994  0.046  0.743  1.0
  K  K8  1  0.321  0.250  0.848  1.0
  K  K9  1  0.506  0.046  0.243  1.0
  K  K10  1  0.006  0.954  0.257  1.0
  K  K11  1  0.006  0.546  0.257  1.0
  K  K12  1  0.281  0.981  0.079  1.0
  K  K13  1  0.506  0.454  0.243  1.0
  K  K14  1  0.056  0.250  0.997  1.0
  K  K15  1  0.781  0.481  0.421  1.0
  K  K16  1  0.781  0.019  0.421  1.0
  K  K17  1  0.444  0.250  0.497  1.0
  K  K18  1  0.281  0.519  0.079  1.0
  K  K19  1  0.219  0.981  0.579  1.0
  K  K20  1  0.219  0.519  0.579  1.0
  K  K21  1  0.944  0.750  0.003  1.0
  K  K22  1  0.719  0.481  0.921  1.0
  K  K23  1  0.494  0.546  0.757  1.0
  Nb  Nb24  1  0.105  0.750  0.830  1.0
  Nb  Nb25  1  0.395  0.750  0.330  1.0
  Nb  Nb26  1  0.605  0.250  0.670  1.0
  Nb  Nb27  1  0.895  0.250  0.170  1.0
  Tl  Tl28  1  0.060  0.750  0.449  1.0
  Tl  Tl29  1  0.940  0.250  0.551  1.0
  Tl  Tl30  1  0.560  0.250  0.051  1.0
  Tl  Tl31  1  0.440  0.750  0.949  1.0
  As  As32  1  0.712  0.444  0.602  1.0
  As  As33  1  0.788  0.444  0.102  1.0
  As  As34  1  0.712  0.056  0.602  1.0
  As  As35  1  0.789  0.750  0.830  1.0
  As  As36  1  0.295  0.750  0.205  1.0
  As  As37  1  0.705  0.250  0.795  1.0
  As  As38  1  0.212  0.944  0.898  1.0
  As  As39  1  0.212  0.556  0.898  1.0
  As  As40  1  0.288  0.944  0.398  1.0
  As  As41  1  0.711  0.750  0.330  1.0
  As  As42  1  0.795  0.250  0.295  1.0
  As  As43  1  0.288  0.556  0.398  1.0
  As  As44  1  0.289  0.250  0.670  1.0
  As  As45  1  0.205  0.750  0.705  1.0
  As  As46  1  0.211  0.250  0.170  1.0
  As  As47  1  0.788  0.056  0.102  1.0
[/CIF]
.