The compound described by K3TlCPO7 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 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Tl(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to two equivalent K(2), one Tl(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(2), one Tl(1), and one P(1) atom. is represented by the CIF card [CIF]
data_K3TlPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.480
_cell_length_b   5.760
_cell_length_c   10.170
_cell_angle_alpha   88.769
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.067
_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  0.250  0.762  0.918  1.0
  K  K1  1  0.000  0.251  0.742  1.0
  K  K2  1  0.500  0.251  0.742  1.0
  K  K3  1  0.500  0.749  0.258  1.0
  K  K4  1  1.000  0.749  0.258  1.0
  K  K5  1  0.750  0.238  0.082  1.0
  Tl  Tl6  1  0.750  0.769  0.630  1.0
  Tl  Tl7  1  0.250  0.231  0.370  1.0
  P  P8  1  0.250  0.706  0.589  1.0
  P  P9  1  0.750  0.294  0.411  1.0
  C  C10  1  0.750  0.739  0.935  1.0
  C  C11  1  0.250  0.261  0.065  1.0
  O  O12  1  0.250  0.273  0.937  1.0
  O  O13  1  0.750  0.941  0.874  1.0
  O  O14  1  0.750  0.548  0.867  1.0
  O  O15  1  0.084  0.784  0.671  1.0
  O  O16  1  0.416  0.784  0.671  1.0
  O  O17  1  0.250  0.434  0.581  1.0
  O  O18  1  0.750  0.191  0.554  1.0
  O  O19  1  0.250  0.809  0.446  1.0
  O  O20  1  0.750  0.566  0.419  1.0
  O  O21  1  0.584  0.216  0.329  1.0
  O  O22  1  0.916  0.216  0.329  1.0
  O  O23  1  0.250  0.452  0.133  1.0
  O  O24  1  0.250  0.059  0.126  1.0
  O  O25  1  0.750  0.727  0.063  1.0
[/CIF]
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The compound described by K3TlCPO7 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 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. Tl(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded in a tetrahedral geometry to one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), two equivalent K(2), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Tl(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to two equivalent K(2), one Tl(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to two equivalent K(2), one Tl(1), and one P(1) atom. is represented by the CIF card [CIF]
data_K3TlPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.480
_cell_length_b   5.760
_cell_length_c   10.170
_cell_angle_alpha   88.769
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.067
_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  0.250  0.762  0.918  1.0
  K  K1  1  0.000  0.251  0.742  1.0
  K  K2  1  0.500  0.251  0.742  1.0
  K  K3  1  0.500  0.749  0.258  1.0
  K  K4  1  1.000  0.749  0.258  1.0
  K  K5  1  0.750  0.238  0.082  1.0
  Tl  Tl6  1  0.750  0.769  0.630  1.0
  Tl  Tl7  1  0.250  0.231  0.370  1.0
  P  P8  1  0.250  0.706  0.589  1.0
  P  P9  1  0.750  0.294  0.411  1.0
  C  C10  1  0.750  0.739  0.935  1.0
  C  C11  1  0.250  0.261  0.065  1.0
  O  O12  1  0.250  0.273  0.937  1.0
  O  O13  1  0.750  0.941  0.874  1.0
  O  O14  1  0.750  0.548  0.867  1.0
  O  O15  1  0.084  0.784  0.671  1.0
  O  O16  1  0.416  0.784  0.671  1.0
  O  O17  1  0.250  0.434  0.581  1.0
  O  O18  1  0.750  0.191  0.554  1.0
  O  O19  1  0.250  0.809  0.446  1.0
  O  O20  1  0.750  0.566  0.419  1.0
  O  O21  1  0.584  0.216  0.329  1.0
  O  O22  1  0.916  0.216  0.329  1.0
  O  O23  1  0.250  0.452  0.133  1.0
  O  O24  1  0.250  0.059  0.126  1.0
  O  O25  1  0.750  0.727  0.063  1.0
[/CIF]
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