The crystal structure described by NaU2Cl6 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(12), one Cl(4), one Cl(6), one Cl(7), and one Cl(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one Cl(10), one Cl(11), one Cl(2), one Cl(3), one Cl(5), and one Cl(8) atom. There are four inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one Cl(12), one Cl(3), one Cl(7), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(4) atoms. In the second U site, U(2) is bonded in a 9-coordinate geometry to one Cl(11), one Cl(8), one Cl(9), two equivalent Cl(10), two equivalent Cl(5), and two equivalent Cl(6) atoms. In the third U site, U(3) is bonded in a 9-coordinate geometry to one Cl(2), one Cl(4), one Cl(5), two equivalent Cl(3), two equivalent Cl(7), and two equivalent Cl(8) atoms. In the fourth U site, U(4) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(6), two equivalent Cl(11), two equivalent Cl(12), and two equivalent Cl(9) atoms. There are twelve inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Na(1), one U(4), and two equivalent U(1) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the second Cl site, Cl(2) is bonded to one Na(2), one U(3), and two equivalent U(1) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the third Cl site, Cl(3) is bonded to one Na(2), one U(1), and two equivalent U(3) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the fourth Cl site, Cl(4) is bonded to one Na(1), one U(3), and two equivalent U(1) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the fifth Cl site, Cl(5) is bonded to one Na(2), one U(3), and two equivalent U(2) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the sixth Cl site, Cl(6) is bonded to one Na(1), one U(4), and two equivalent U(2) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the seventh Cl site, Cl(7) is bonded to one Na(1), one U(1), and two equivalent U(3) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the eighth Cl site, Cl(8) is bonded to one Na(2), one U(2), and two equivalent U(3) atoms to form a mixture of distorted edge and corner-sharing ClNaU3 tetrahedra. In the ninth Cl site, Cl(9) is bonded to one Na(1), one U(2), and two equivalent U(4) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the tenth Cl site, Cl(10) is bonded to one Na(2), one U(4), and two equivalent U(2) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the eleventh Cl site, Cl(11) is bonded to one Na(2), one U(2), and two equivalent U(4) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the twelfth Cl site, Cl(12) is bonded to one Na(1), one U(1), and two equivalent U(4) atoms to form a mixture of distorted edge and corner-sharing ClNaU3 tetrahedra. is represented by the CIF file [CIF]
data_NaU2Cl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.730
_cell_length_b   15.621
_cell_length_c   4.110
_cell_angle_alpha   90.312
_cell_angle_beta   89.745
_cell_angle_gamma   120.186
_symmetry_Int_Tables_number   1
_cell_volume   428.943
_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
  Na  Na0  1  0.999  0.999  0.000  1.0
  Na  Na1  1  1.000  0.500  0.502  1.0
  U  U2  1  0.332  0.833  0.245  1.0
  U  U3  1  0.331  0.332  0.249  1.0
  U  U4  1  0.664  0.667  0.750  1.0
  U  U5  1  0.668  0.166  0.748  1.0
  Cl  Cl6  1  0.307  0.962  0.749  1.0
  Cl  Cl7  1  0.087  0.692  0.748  1.0
  Cl  Cl8  1  0.385  0.651  0.250  1.0
  Cl  Cl9  1  0.621  0.850  0.748  1.0
  Cl  Cl10  1  0.306  0.462  0.751  1.0
  Cl  Cl11  1  0.080  0.191  0.752  1.0
  Cl  Cl12  1  0.925  0.809  0.249  1.0
  Cl  Cl13  1  0.702  0.541  0.248  1.0
  Cl  Cl14  1  0.385  0.153  0.251  1.0
  Cl  Cl15  1  0.617  0.350  0.750  1.0
  Cl  Cl16  1  0.921  0.310  0.253  1.0
  Cl  Cl17  1  0.705  0.043  0.252  1.0
[/CIF]
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The crystal structure described by NaU2Cl6 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(12), one Cl(4), one Cl(6), one Cl(7), and one Cl(9) atom. In the second Na site, Na(2) is bonded in a 6-coordinate geometry to one Cl(10), one Cl(11), one Cl(2), one Cl(3), one Cl(5), and one Cl(8) atom. There are four inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one Cl(12), one Cl(3), one Cl(7), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(4) atoms. In the second U site, U(2) is bonded in a 9-coordinate geometry to one Cl(11), one Cl(8), one Cl(9), two equivalent Cl(10), two equivalent Cl(5), and two equivalent Cl(6) atoms. In the third U site, U(3) is bonded in a 9-coordinate geometry to one Cl(2), one Cl(4), one Cl(5), two equivalent Cl(3), two equivalent Cl(7), and two equivalent Cl(8) atoms. In the fourth U site, U(4) is bonded in a 9-coordinate geometry to one Cl(1), one Cl(10), one Cl(6), two equivalent Cl(11), two equivalent Cl(12), and two equivalent Cl(9) atoms. There are twelve inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Na(1), one U(4), and two equivalent U(1) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the second Cl site, Cl(2) is bonded to one Na(2), one U(3), and two equivalent U(1) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the third Cl site, Cl(3) is bonded to one Na(2), one U(1), and two equivalent U(3) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the fourth Cl site, Cl(4) is bonded to one Na(1), one U(3), and two equivalent U(1) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the fifth Cl site, Cl(5) is bonded to one Na(2), one U(3), and two equivalent U(2) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the sixth Cl site, Cl(6) is bonded to one Na(1), one U(4), and two equivalent U(2) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the seventh Cl site, Cl(7) is bonded to one Na(1), one U(1), and two equivalent U(3) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the eighth Cl site, Cl(8) is bonded to one Na(2), one U(2), and two equivalent U(3) atoms to form a mixture of distorted edge and corner-sharing ClNaU3 tetrahedra. In the ninth Cl site, Cl(9) is bonded to one Na(1), one U(2), and two equivalent U(4) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the tenth Cl site, Cl(10) is bonded to one Na(2), one U(4), and two equivalent U(2) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the eleventh Cl site, Cl(11) is bonded to one Na(2), one U(2), and two equivalent U(4) atoms to form a mixture of edge and corner-sharing ClNaU3 tetrahedra. In the twelfth Cl site, Cl(12) is bonded to one Na(1), one U(1), and two equivalent U(4) atoms to form a mixture of distorted edge and corner-sharing ClNaU3 tetrahedra. is represented by the CIF file [CIF]
data_NaU2Cl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.730
_cell_length_b   15.621
_cell_length_c   4.110
_cell_angle_alpha   90.312
_cell_angle_beta   89.745
_cell_angle_gamma   120.186
_symmetry_Int_Tables_number   1
_cell_volume   428.943
_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
  Na  Na0  1  0.999  0.999  0.000  1.0
  Na  Na1  1  1.000  0.500  0.502  1.0
  U  U2  1  0.332  0.833  0.245  1.0
  U  U3  1  0.331  0.332  0.249  1.0
  U  U4  1  0.664  0.667  0.750  1.0
  U  U5  1  0.668  0.166  0.748  1.0
  Cl  Cl6  1  0.307  0.962  0.749  1.0
  Cl  Cl7  1  0.087  0.692  0.748  1.0
  Cl  Cl8  1  0.385  0.651  0.250  1.0
  Cl  Cl9  1  0.621  0.850  0.748  1.0
  Cl  Cl10  1  0.306  0.462  0.751  1.0
  Cl  Cl11  1  0.080  0.191  0.752  1.0
  Cl  Cl12  1  0.925  0.809  0.249  1.0
  Cl  Cl13  1  0.702  0.541  0.248  1.0
  Cl  Cl14  1  0.385  0.153  0.251  1.0
  Cl  Cl15  1  0.617  0.350  0.750  1.0
  Cl  Cl16  1  0.921  0.310  0.253  1.0
  Cl  Cl17  1  0.705  0.043  0.252  1.0
[/CIF]
.