The material described by Cs2Na3TlO4 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one O(3) atom. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), and three equivalent O(2) atoms. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted NaO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Tl(1)O4 tetrahedra,  an edgeedge with one Na(2)O4 tetrahedra,  an edgeedge with one Na(3)O4 tetrahedra, and  an edgeedge with one Tl(1)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Tl(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra,  an edgeedge with one Na(3)O4 tetrahedra, and  an edgeedge with one Tl(1)O4 tetrahedra. In the third Na site, Na(3) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Tl(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra,  an edgeedge with one Na(2)O4 tetrahedra,  an edgeedge with one Na(3)O4 tetrahedra, and  an edgeedge with one Tl(1)O4 tetrahedra. Tl(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form TlO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra,  an edgeedge with one Na(2)O4 tetrahedra, and  an edgeedge with one Na(3)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 5-coordinate geometry to one Cs(2), one Na(1), one Na(2), two equivalent Na(3), and one Tl(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Cs(2), one Na(1), one Na(2), one Na(3), and one Tl(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Cs(2), one Na(1), one Na(2), and one Tl(1) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Na(1), one Na(2), one Na(3), and one Tl(1) atom. is represented by the CIF card [CIF]
data_Cs2Na3TlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.337
_cell_length_b   6.506
_cell_length_c   12.796
_cell_angle_alpha   69.341
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   805.244
_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
  Cs  Cs0  1  0.729  0.285  0.608  1.0
  Cs  Cs1  1  0.229  0.715  0.892  1.0
  Cs  Cs2  1  0.271  0.715  0.392  1.0
  Cs  Cs3  1  0.002  0.722  0.135  1.0
  Cs  Cs4  1  0.771  0.285  0.108  1.0
  Cs  Cs5  1  0.998  0.278  0.865  1.0
  Cs  Cs6  1  0.498  0.722  0.635  1.0
  Cs  Cs7  1  0.502  0.278  0.365  1.0
  Na  Na8  1  0.744  0.612  0.801  1.0
  Na  Na9  1  0.974  0.913  0.706  1.0
  Na  Na10  1  0.526  0.913  0.206  1.0
  Na  Na11  1  0.256  0.388  0.199  1.0
  Na  Na12  1  0.992  0.360  0.432  1.0
  Na  Na13  1  0.244  0.388  0.699  1.0
  Na  Na14  1  0.508  0.360  0.932  1.0
  Na  Na15  1  0.474  0.087  0.794  1.0
  Na  Na16  1  0.492  0.640  0.068  1.0
  Na  Na17  1  0.026  0.087  0.294  1.0
  Na  Na18  1  0.008  0.640  0.568  1.0
  Na  Na19  1  0.756  0.612  0.301  1.0
  Tl  Tl20  1  0.281  0.099  0.063  1.0
  Tl  Tl21  1  0.219  0.099  0.563  1.0
  Tl  Tl22  1  0.719  0.901  0.937  1.0
  Tl  Tl23  1  0.781  0.901  0.437  1.0
  O  O24  1  0.309  0.223  0.881  1.0
  O  O25  1  0.191  0.223  0.381  1.0
  O  O26  1  0.809  0.777  0.619  1.0
  O  O27  1  0.098  0.223  0.108  1.0
  O  O28  1  0.322  0.751  0.156  1.0
  O  O29  1  0.902  0.777  0.892  1.0
  O  O30  1  0.598  0.777  0.392  1.0
  O  O31  1  0.178  0.751  0.656  1.0
  O  O32  1  0.678  0.249  0.844  1.0
  O  O33  1  0.059  0.267  0.623  1.0
  O  O34  1  0.441  0.267  0.123  1.0
  O  O35  1  0.822  0.249  0.344  1.0
  O  O36  1  0.691  0.777  0.119  1.0
  O  O37  1  0.941  0.733  0.377  1.0
  O  O38  1  0.402  0.223  0.608  1.0
  O  O39  1  0.559  0.733  0.877  1.0
[/CIF]
.
The material described by Cs2Na3TlO4 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 1-coordinate geometry to one O(3) atom. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), and three equivalent O(2) atoms. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted NaO4 tetrahedra that share corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Tl(1)O4 tetrahedra,  an edgeedge with one Na(2)O4 tetrahedra,  an edgeedge with one Na(3)O4 tetrahedra, and  an edgeedge with one Tl(1)O4 tetrahedra. In the second Na site, Na(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra, corners with two equivalent Tl(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra,  an edgeedge with one Na(3)O4 tetrahedra, and  an edgeedge with one Tl(1)O4 tetrahedra. In the third Na site, Na(3) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form distorted NaO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Tl(1)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra,  an edgeedge with one Na(2)O4 tetrahedra,  an edgeedge with one Na(3)O4 tetrahedra, and  an edgeedge with one Tl(1)O4 tetrahedra. Tl(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form TlO4 tetrahedra that share corners with two equivalent Na(1)O4 tetrahedra, corners with two equivalent Na(2)O4 tetrahedra, corners with two equivalent Na(3)O4 tetrahedra,  an edgeedge with one Na(1)O4 tetrahedra,  an edgeedge with one Na(2)O4 tetrahedra, and  an edgeedge with one Na(3)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(4) is bonded in a 5-coordinate geometry to one Cs(2), one Na(1), one Na(2), two equivalent Na(3), and one Tl(1) atom. In the second O site, O(1) is bonded in a 4-coordinate geometry to one Cs(2), one Na(1), one Na(2), one Na(3), and one Tl(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Cs(2), one Na(1), one Na(2), and one Tl(1) atom. In the fourth O site, O(3) is bonded in a 5-coordinate geometry to one Cs(1), one Cs(2), one Na(1), one Na(2), one Na(3), and one Tl(1) atom. is represented by the CIF card [CIF]
data_Cs2Na3TlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.337
_cell_length_b   6.506
_cell_length_c   12.796
_cell_angle_alpha   69.341
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   805.244
_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
  Cs  Cs0  1  0.729  0.285  0.608  1.0
  Cs  Cs1  1  0.229  0.715  0.892  1.0
  Cs  Cs2  1  0.271  0.715  0.392  1.0
  Cs  Cs3  1  0.002  0.722  0.135  1.0
  Cs  Cs4  1  0.771  0.285  0.108  1.0
  Cs  Cs5  1  0.998  0.278  0.865  1.0
  Cs  Cs6  1  0.498  0.722  0.635  1.0
  Cs  Cs7  1  0.502  0.278  0.365  1.0
  Na  Na8  1  0.744  0.612  0.801  1.0
  Na  Na9  1  0.974  0.913  0.706  1.0
  Na  Na10  1  0.526  0.913  0.206  1.0
  Na  Na11  1  0.256  0.388  0.199  1.0
  Na  Na12  1  0.992  0.360  0.432  1.0
  Na  Na13  1  0.244  0.388  0.699  1.0
  Na  Na14  1  0.508  0.360  0.932  1.0
  Na  Na15  1  0.474  0.087  0.794  1.0
  Na  Na16  1  0.492  0.640  0.068  1.0
  Na  Na17  1  0.026  0.087  0.294  1.0
  Na  Na18  1  0.008  0.640  0.568  1.0
  Na  Na19  1  0.756  0.612  0.301  1.0
  Tl  Tl20  1  0.281  0.099  0.063  1.0
  Tl  Tl21  1  0.219  0.099  0.563  1.0
  Tl  Tl22  1  0.719  0.901  0.937  1.0
  Tl  Tl23  1  0.781  0.901  0.437  1.0
  O  O24  1  0.309  0.223  0.881  1.0
  O  O25  1  0.191  0.223  0.381  1.0
  O  O26  1  0.809  0.777  0.619  1.0
  O  O27  1  0.098  0.223  0.108  1.0
  O  O28  1  0.322  0.751  0.156  1.0
  O  O29  1  0.902  0.777  0.892  1.0
  O  O30  1  0.598  0.777  0.392  1.0
  O  O31  1  0.178  0.751  0.656  1.0
  O  O32  1  0.678  0.249  0.844  1.0
  O  O33  1  0.059  0.267  0.623  1.0
  O  O34  1  0.441  0.267  0.123  1.0
  O  O35  1  0.822  0.249  0.344  1.0
  O  O36  1  0.691  0.777  0.119  1.0
  O  O37  1  0.941  0.733  0.377  1.0
  O  O38  1  0.402  0.223  0.608  1.0
  O  O39  1  0.559  0.733  0.877  1.0
[/CIF]
.