The compound described by NaU2Cl6 crystallizes in the monoclinic Pc space group. Na(1) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one Cl(3), one Cl(5), one Cl(6), 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(1), one Cl(2), one Cl(4), two equivalent Cl(3), two equivalent Cl(5), and two equivalent Cl(6) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Na(1), one U(2), and two equivalent U(1) atoms to form a mixture of corner and edge-sharing ClNaU3 tetrahedra. In the second Cl site, Cl(2) is bonded to one Na(1), one U(2), and two equivalent U(1) atoms to form a mixture of corner and edge-sharing ClNaU3 tetrahedra. In the third Cl site, Cl(3) is bonded to one Na(1), one U(1), and two equivalent U(2) atoms to form a mixture of corner and edge-sharing ClNaU3 tetrahedra. In the fourth Cl site, Cl(4) is bonded to one Na(1), one U(2), and two equivalent U(1) atoms to form a mixture of corner and edge-sharing ClNaU3 tetrahedra. In the fifth Cl site, Cl(5) is bonded to one Na(1), one U(1), and two equivalent U(2) atoms to form a mixture of corner and edge-sharing ClNaU3 tetrahedra. In the sixth Cl site, Cl(6) is bonded to one Na(1), one U(1), and two equivalent U(2) atoms to form a mixture of distorted corner and edge-sharing ClNaU3 tetrahedra. is represented by the CIF card [CIF]
data_NaU2Cl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.110
_cell_length_b   7.730
_cell_length_c   15.498
_cell_angle_alpha   60.605
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.950
_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  0.251  0.999  0.001  1.0
  Na  Na1  1  0.749  0.999  0.501  1.0
  U  U2  1  0.006  0.335  0.167  1.0
  U  U3  1  0.994  0.335  0.667  1.0
  U  U4  1  0.501  0.669  0.333  1.0
  U  U5  1  0.499  0.669  0.833  1.0
  Cl  Cl6  1  0.502  0.617  0.038  1.0
  Cl  Cl7  1  0.503  0.297  0.308  1.0
  Cl  Cl8  1  0.001  0.917  0.349  1.0
  Cl  Cl9  1  0.503  0.079  0.150  1.0
  Cl  Cl10  1  0.498  0.617  0.538  1.0
  Cl  Cl11  1  0.497  0.297  0.808  1.0
  Cl  Cl12  1  0.002  0.694  0.191  1.0
  Cl  Cl13  1  0.003  0.380  0.459  1.0
  Cl  Cl14  1  0.999  0.917  0.849  1.0
  Cl  Cl15  1  0.497  0.079  0.650  1.0
  Cl  Cl16  1  0.998  0.694  0.691  1.0
  Cl  Cl17  1  0.997  0.380  0.959  1.0
[/CIF]
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The compound described by NaU2Cl6 crystallizes in the monoclinic Pc space group. Na(1) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom. There are two inequivalent U sites. In the first U site, U(1) is bonded in a 9-coordinate geometry to one Cl(3), one Cl(5), one Cl(6), 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(1), one Cl(2), one Cl(4), two equivalent Cl(3), two equivalent Cl(5), and two equivalent Cl(6) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Na(1), one U(2), and two equivalent U(1) atoms to form a mixture of corner and edge-sharing ClNaU3 tetrahedra. In the second Cl site, Cl(2) is bonded to one Na(1), one U(2), and two equivalent U(1) atoms to form a mixture of corner and edge-sharing ClNaU3 tetrahedra. In the third Cl site, Cl(3) is bonded to one Na(1), one U(1), and two equivalent U(2) atoms to form a mixture of corner and edge-sharing ClNaU3 tetrahedra. In the fourth Cl site, Cl(4) is bonded to one Na(1), one U(2), and two equivalent U(1) atoms to form a mixture of corner and edge-sharing ClNaU3 tetrahedra. In the fifth Cl site, Cl(5) is bonded to one Na(1), one U(1), and two equivalent U(2) atoms to form a mixture of corner and edge-sharing ClNaU3 tetrahedra. In the sixth Cl site, Cl(6) is bonded to one Na(1), one U(1), and two equivalent U(2) atoms to form a mixture of distorted corner and edge-sharing ClNaU3 tetrahedra. is represented by the CIF card [CIF]
data_NaU2Cl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.110
_cell_length_b   7.730
_cell_length_c   15.498
_cell_angle_alpha   60.605
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   428.950
_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  0.251  0.999  0.001  1.0
  Na  Na1  1  0.749  0.999  0.501  1.0
  U  U2  1  0.006  0.335  0.167  1.0
  U  U3  1  0.994  0.335  0.667  1.0
  U  U4  1  0.501  0.669  0.333  1.0
  U  U5  1  0.499  0.669  0.833  1.0
  Cl  Cl6  1  0.502  0.617  0.038  1.0
  Cl  Cl7  1  0.503  0.297  0.308  1.0
  Cl  Cl8  1  0.001  0.917  0.349  1.0
  Cl  Cl9  1  0.503  0.079  0.150  1.0
  Cl  Cl10  1  0.498  0.617  0.538  1.0
  Cl  Cl11  1  0.497  0.297  0.808  1.0
  Cl  Cl12  1  0.002  0.694  0.191  1.0
  Cl  Cl13  1  0.003  0.380  0.459  1.0
  Cl  Cl14  1  0.999  0.917  0.849  1.0
  Cl  Cl15  1  0.497  0.079  0.650  1.0
  Cl  Cl16  1  0.998  0.694  0.691  1.0
  Cl  Cl17  1  0.997  0.380  0.959  1.0
[/CIF]
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