The material described by Tl4P4N4O9 crystallizes in the triclinic P1 space group. There are eight inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to one O(12) and one O(13) atom. In the second Tl site, Tl(2) is bonded in a distorted T-shaped geometry to one O(11), one O(14), and one O(4) atom. In the third Tl site, Tl(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(15), one O(16), and one O(2) atom. In the fourth Tl site, Tl(4) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(7), and one O(9) atom. In the fifth Tl site, Tl(5) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(6), and one O(8) atom. In the sixth Tl site, Tl(6) is bonded in a distorted T-shaped geometry to one O(10), one O(15), and one O(7) atom. In the seventh Tl site, Tl(7) is bonded in a distorted T-shaped geometry to one O(16), one O(8), and one O(9) atom. In the eighth Tl site, Tl(8) is bonded in an L-shaped geometry to one O(17) and one O(3) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(7), one O(13), and one O(2) atom to form corner-sharing PN2O2 tetrahedra. In the second P site, P(2) is bonded to one N(2), one N(8), one O(1), and one O(14) atom to form corner-sharing PN2O2 tetrahedra. In the third P site, P(3) is bonded to one N(1), one N(3), one O(17), and one O(9) atom to form corner-sharing PN2O2 tetrahedra. In the fourth P site, P(4) is bonded to one N(2), one N(4), one O(10), and one O(18) atom to form corner-sharing PN2O2 tetrahedra. In the fifth P site, P(5) is bonded to one N(3), one N(5), one O(11), and one O(7) atom to form corner-sharing PN2O2 tetrahedra. In the sixth P site, P(6) is bonded to one N(4), one N(6), one O(12), and one O(8) atom to form corner-sharing PN2O2 tetrahedra. In the seventh P site, P(7) is bonded to one N(6), one N(8), one O(3), and one O(5) atom to form corner-sharing PN2O2 tetrahedra. In the eighth P site, P(8) is bonded to one N(5), one N(7), one O(4), and one O(6) atom to form corner-sharing PN2O2 tetrahedra. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the fifth N site, N(5) is bonded in a bent 150 degrees geometry to one P(5) and one P(8) atom. In the sixth N site, N(6) is bonded in a bent 150 degrees geometry to one P(6) and one P(7) atom. In the seventh N site, N(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(8) atom. In the eighth N site, N(8) is bonded in a bent 150 degrees geometry to one P(2) and one P(7) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tl(3), one Tl(4), and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Tl(3), one Tl(5), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Tl(8) and one P(7) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tl(2) and one P(8) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Tl(4) and one P(7) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Tl(5) and one P(8) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Tl(4), one Tl(6), and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Tl(5), one Tl(7), and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Tl(4), one Tl(7), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Tl(5), one Tl(6), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Tl(2) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one P(6) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Tl(1) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Tl(2) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Tl(3) and one Tl(6) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Tl(3) and one Tl(7) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Tl(8) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one P(4) atom. is represented by the CIF file [CIF]
data_Tl4P4N4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.391
_cell_length_b   9.942
_cell_length_c   10.569
_cell_angle_alpha   79.217
_cell_angle_beta   82.255
_cell_angle_gamma   65.546
_symmetry_Int_Tables_number   1
_cell_volume   880.585
_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
  Tl  Tl0  1  0.554  0.124  0.569  1.0
  Tl  Tl1  1  0.423  0.868  0.434  1.0
  Tl  Tl2  1  0.497  0.003  0.000  1.0
  Tl  Tl3  1  0.070  0.342  0.879  1.0
  Tl  Tl4  1  0.931  0.660  0.117  1.0
  Tl  Tl5  1  0.399  0.372  0.097  1.0
  Tl  Tl6  1  0.598  0.635  0.915  1.0
  Tl  Tl7  1  0.656  0.473  0.517  1.0
  P  P8  1  0.753  0.028  0.233  1.0
  P  P9  1  0.246  0.974  0.765  1.0
  P  P10  1  0.794  0.329  0.196  1.0
  P  P11  1  0.211  0.669  0.804  1.0
  P  P12  1  0.145  0.158  0.240  1.0
  P  P13  1  0.858  0.841  0.757  1.0
  P  P14  1  0.895  0.142  0.714  1.0
  P  P15  1  0.106  0.855  0.286  1.0
  N  N16  1  0.755  0.191  0.169  1.0
  N  N17  1  0.246  0.810  0.831  1.0
  N  N18  1  0.962  0.269  0.259  1.0
  N  N19  1  0.042  0.729  0.741  1.0
  N  N20  1  0.160  0.992  0.221  1.0
  N  N21  1  0.840  0.007  0.779  1.0
  N  N22  1  0.915  0.923  0.304  1.0
  N  N23  1  0.085  0.073  0.690  1.0
  O  O24  1  0.250  0.056  0.871  1.0
  O  O25  1  0.748  0.948  0.125  1.0
  O  O26  1  0.817  0.201  0.584  1.0
  O  O27  1  0.177  0.804  0.417  1.0
  O  O28  1  0.853  0.259  0.802  1.0
  O  O29  1  0.150  0.740  0.197  1.0
  O  O30  1  0.214  0.219  0.114  1.0
  O  O31  1  0.790  0.775  0.880  1.0
  O  O32  1  0.808  0.422  0.065  1.0
  O  O33  1  0.191  0.579  0.934  1.0
  O  O34  1  0.230  0.136  0.359  1.0
  O  O35  1  0.775  0.864  0.636  1.0
  O  O36  1  0.613  0.060  0.330  1.0
  O  O37  1  0.388  0.941  0.668  1.0
  O  O38  1  0.483  0.207  0.934  1.0
  O  O39  1  0.516  0.797  0.069  1.0
  O  O40  1  0.662  0.410  0.290  1.0
  O  O41  1  0.347  0.590  0.713  1.0
[/CIF]
.
The material described by Tl4P4N4O9 crystallizes in the triclinic P1 space group. There are eight inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to one O(12) and one O(13) atom. In the second Tl site, Tl(2) is bonded in a distorted T-shaped geometry to one O(11), one O(14), and one O(4) atom. In the third Tl site, Tl(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(15), one O(16), and one O(2) atom. In the fourth Tl site, Tl(4) is bonded in a 4-coordinate geometry to one O(1), one O(5), one O(7), and one O(9) atom. In the fifth Tl site, Tl(5) is bonded in a 4-coordinate geometry to one O(10), one O(2), one O(6), and one O(8) atom. In the sixth Tl site, Tl(6) is bonded in a distorted T-shaped geometry to one O(10), one O(15), and one O(7) atom. In the seventh Tl site, Tl(7) is bonded in a distorted T-shaped geometry to one O(16), one O(8), and one O(9) atom. In the eighth Tl site, Tl(8) is bonded in an L-shaped geometry to one O(17) and one O(3) atom. There are eight inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(7), one O(13), and one O(2) atom to form corner-sharing PN2O2 tetrahedra. In the second P site, P(2) is bonded to one N(2), one N(8), one O(1), and one O(14) atom to form corner-sharing PN2O2 tetrahedra. In the third P site, P(3) is bonded to one N(1), one N(3), one O(17), and one O(9) atom to form corner-sharing PN2O2 tetrahedra. In the fourth P site, P(4) is bonded to one N(2), one N(4), one O(10), and one O(18) atom to form corner-sharing PN2O2 tetrahedra. In the fifth P site, P(5) is bonded to one N(3), one N(5), one O(11), and one O(7) atom to form corner-sharing PN2O2 tetrahedra. In the sixth P site, P(6) is bonded to one N(4), one N(6), one O(12), and one O(8) atom to form corner-sharing PN2O2 tetrahedra. In the seventh P site, P(7) is bonded to one N(6), one N(8), one O(3), and one O(5) atom to form corner-sharing PN2O2 tetrahedra. In the eighth P site, P(8) is bonded to one N(5), one N(7), one O(4), and one O(6) atom to form corner-sharing PN2O2 tetrahedra. There are eight inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one P(3) and one P(5) atom. In the fourth N site, N(4) is bonded in a bent 150 degrees geometry to one P(4) and one P(6) atom. In the fifth N site, N(5) is bonded in a bent 150 degrees geometry to one P(5) and one P(8) atom. In the sixth N site, N(6) is bonded in a bent 150 degrees geometry to one P(6) and one P(7) atom. In the seventh N site, N(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(8) atom. In the eighth N site, N(8) is bonded in a bent 150 degrees geometry to one P(2) and one P(7) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Tl(3), one Tl(4), and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Tl(3), one Tl(5), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Tl(8) and one P(7) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Tl(2) and one P(8) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Tl(4) and one P(7) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Tl(5) and one P(8) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Tl(4), one Tl(6), and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Tl(5), one Tl(7), and one P(6) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Tl(4), one Tl(7), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Tl(5), one Tl(6), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Tl(2) and one P(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one P(6) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Tl(1) and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Tl(2) and one P(2) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Tl(3) and one Tl(6) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Tl(3) and one Tl(7) atom. In the seventeenth O site, O(17) is bonded in a distorted single-bond geometry to one Tl(8) and one P(3) atom. In the eighteenth O site, O(18) is bonded in a single-bond geometry to one P(4) atom. is represented by the CIF file [CIF]
data_Tl4P4N4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.391
_cell_length_b   9.942
_cell_length_c   10.569
_cell_angle_alpha   79.217
_cell_angle_beta   82.255
_cell_angle_gamma   65.546
_symmetry_Int_Tables_number   1
_cell_volume   880.585
_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
  Tl  Tl0  1  0.554  0.124  0.569  1.0
  Tl  Tl1  1  0.423  0.868  0.434  1.0
  Tl  Tl2  1  0.497  0.003  0.000  1.0
  Tl  Tl3  1  0.070  0.342  0.879  1.0
  Tl  Tl4  1  0.931  0.660  0.117  1.0
  Tl  Tl5  1  0.399  0.372  0.097  1.0
  Tl  Tl6  1  0.598  0.635  0.915  1.0
  Tl  Tl7  1  0.656  0.473  0.517  1.0
  P  P8  1  0.753  0.028  0.233  1.0
  P  P9  1  0.246  0.974  0.765  1.0
  P  P10  1  0.794  0.329  0.196  1.0
  P  P11  1  0.211  0.669  0.804  1.0
  P  P12  1  0.145  0.158  0.240  1.0
  P  P13  1  0.858  0.841  0.757  1.0
  P  P14  1  0.895  0.142  0.714  1.0
  P  P15  1  0.106  0.855  0.286  1.0
  N  N16  1  0.755  0.191  0.169  1.0
  N  N17  1  0.246  0.810  0.831  1.0
  N  N18  1  0.962  0.269  0.259  1.0
  N  N19  1  0.042  0.729  0.741  1.0
  N  N20  1  0.160  0.992  0.221  1.0
  N  N21  1  0.840  0.007  0.779  1.0
  N  N22  1  0.915  0.923  0.304  1.0
  N  N23  1  0.085  0.073  0.690  1.0
  O  O24  1  0.250  0.056  0.871  1.0
  O  O25  1  0.748  0.948  0.125  1.0
  O  O26  1  0.817  0.201  0.584  1.0
  O  O27  1  0.177  0.804  0.417  1.0
  O  O28  1  0.853  0.259  0.802  1.0
  O  O29  1  0.150  0.740  0.197  1.0
  O  O30  1  0.214  0.219  0.114  1.0
  O  O31  1  0.790  0.775  0.880  1.0
  O  O32  1  0.808  0.422  0.065  1.0
  O  O33  1  0.191  0.579  0.934  1.0
  O  O34  1  0.230  0.136  0.359  1.0
  O  O35  1  0.775  0.864  0.636  1.0
  O  O36  1  0.613  0.060  0.330  1.0
  O  O37  1  0.388  0.941  0.668  1.0
  O  O38  1  0.483  0.207  0.934  1.0
  O  O39  1  0.516  0.797  0.069  1.0
  O  O40  1  0.662  0.410  0.290  1.0
  O  O41  1  0.347  0.590  0.713  1.0
[/CIF]
.