The compound described by Na2UBr6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to one Br(11), one Br(12), one Br(14), one Br(15), one Br(18), and one Br(2) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(4)Br6 octahedra,  an edgeedge with one Na(5)Br6 octahedra,  an edgeedge with one Na(6)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the second Na site, Na(2) is bonded to one Br(1), one Br(17), one Br(4), one Br(7), one Br(8), and one Br(9) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(4)Br6 octahedra,  an edgeedge with one Na(5)Br6 octahedra,  an edgeedge with one Na(6)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the third Na site, Na(3) is bonded to one Br(10), one Br(13), one Br(16), one Br(3), one Br(5), and one Br(6) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(4)Br6 octahedra,  an edgeedge with one Na(5)Br6 octahedra,  an edgeedge with one Na(6)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fourth Na site, Na(4) is bonded to one Br(11), one Br(12), one Br(16), one Br(3), one Br(4), and one Br(8) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(1)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra,  an edgeedge with one Na(3)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the fifth Na site, Na(5) is bonded to one Br(1), one Br(14), one Br(15), one Br(5), one Br(6), and one Br(9) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(1)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra,  an edgeedge with one Na(3)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the sixth Na site, Na(6) is bonded to one Br(10), one Br(13), one Br(17), one Br(18), one Br(2), and one Br(7) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(1)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra,  an edgeedge with one Na(3)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are three inequivalent U sites. In the first U site, U(1) is bonded to one Br(1), one Br(12), one Br(13), one Br(14), one Br(3), and one Br(7) atom to form UBr6 octahedra that share corners with two equivalent Na(1)Br6 octahedra, corners with two equivalent Na(2)Br6 octahedra, corners with two equivalent Na(3)Br6 octahedra, corners with two equivalent Na(4)Br6 octahedra, corners with two equivalent Na(5)Br6 octahedra, and corners with two equivalent Na(6)Br6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second U site, U(2) is bonded to one Br(10), one Br(11), one Br(2), one Br(4), one Br(6), and one Br(9) atom to form UBr6 octahedra that share corners with two equivalent Na(1)Br6 octahedra, corners with two equivalent Na(2)Br6 octahedra, corners with two equivalent Na(3)Br6 octahedra, corners with two equivalent Na(4)Br6 octahedra, corners with two equivalent Na(5)Br6 octahedra, and corners with two equivalent Na(6)Br6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the third U site, U(3) is bonded to one Br(15), one Br(16), one Br(17), one Br(18), one Br(5), and one Br(8) atom to form UBr6 octahedra that share  an edgeedge with one Na(1)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra,  an edgeedge with one Na(3)Br6 octahedra,  an edgeedge with one Na(4)Br6 octahedra,  an edgeedge with one Na(5)Br6 octahedra, and  an edgeedge with one Na(6)Br6 octahedra. There are eighteen inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one Na(2), one Na(5), and one U(1) atom. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to one Na(1), one Na(6), and one U(2) atom. In the third Br site, Br(3) is bonded in a distorted T-shaped geometry to one Na(3), one Na(4), and one U(1) atom. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Na(2), one Na(4), and one U(2) atom. In the fifth Br site, Br(5) is bonded in a distorted T-shaped geometry to one Na(3), one Na(5), and one U(3) atom. In the sixth Br site, Br(6) is bonded in a distorted T-shaped geometry to one Na(3), one Na(5), and one U(2) atom. In the seventh Br site, Br(7) is bonded in a distorted T-shaped geometry to one Na(2), one Na(6), and one U(1) atom. In the eighth Br site, Br(8) is bonded in a distorted T-shaped geometry to one Na(2), one Na(4), and one U(3) atom. In the ninth Br site, Br(9) is bonded in a distorted T-shaped geometry to one Na(2), one Na(5), and one U(2) atom. In the tenth Br site, Br(10) is bonded in a distorted T-shaped geometry to one Na(3), one Na(6), and one U(2) atom. In the eleventh Br site, Br(11) is bonded in a distorted T-shaped geometry to one Na(1), one Na(4), and one U(2) atom. In the twelfth Br site, Br(12) is bonded in a distorted T-shaped geometry to one Na(1), one Na(4), and one U(1) atom. In the thirteenth Br site, Br(13) is bonded in a distorted T-shaped geometry to one Na(3), one Na(6), and one U(1) atom. In the fourteenth Br site, Br(14) is bonded in a distorted T-shaped geometry to one Na(1), one Na(5), and one U(1) atom. In the fifteenth Br site, Br(15) is bonded in a distorted T-shaped geometry to one Na(1), one Na(5), and one U(3) atom. In the sixteenth Br site, Br(16) is bonded in a distorted T-shaped geometry to one Na(3), one Na(4), and one U(3) atom. In the seventeenth Br site, Br(17) is bonded in a distorted T-shaped geometry to one Na(2), one Na(6), and one U(3) atom. In the eighteenth Br site, Br(18) is bonded in a distorted T-shaped geometry to one Na(1), one Na(6), and one U(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2UBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.491
_cell_length_b   12.514
_cell_length_c   6.551
_cell_angle_alpha   90.007
_cell_angle_beta   89.978
_cell_angle_gamma   120.006
_symmetry_Int_Tables_number   1
_cell_volume   886.798
_cell_formula_units_Z   3
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  1.000  0.337  0.002  1.0
  Na  Na1  1  0.663  0.662  0.995  1.0
  Na  Na2  1  0.337  0.999  0.999  1.0
  Na  Na3  1  1.000  0.662  0.999  1.0
  Na  Na4  1  0.337  0.339  0.001  1.0
  Na  Na5  1  0.664  0.001  0.002  1.0
  U  U6  1  0.333  0.667  0.498  1.0
  U  U7  1  0.667  0.333  0.502  1.0
  U  U8  1  0.000  1.000  0.000  1.0
  Br  Br9  1  0.442  0.564  0.255  1.0
  Br  Br10  1  0.774  0.225  0.261  1.0
  Br  Br11  1  0.225  0.772  0.737  1.0
  Br  Br12  1  0.773  0.545  0.265  1.0
  Br  Br13  1  0.213  0.106  0.761  1.0
  Br  Br14  1  0.454  0.226  0.265  1.0
  Br  Br15  1  0.546  0.776  0.738  1.0
  Br  Br16  1  0.893  0.784  0.761  1.0
  Br  Br17  1  0.558  0.438  0.748  1.0
  Br  Br18  1  0.560  0.121  0.743  1.0
  Br  Br19  1  0.878  0.439  0.743  1.0
  Br  Br20  1  0.122  0.561  0.253  1.0
  Br  Br21  1  0.439  0.879  0.255  1.0
  Br  Br22  1  0.227  0.455  0.737  1.0
  Br  Br23  1  0.109  0.215  0.238  1.0
  Br  Br24  1  0.106  0.894  0.240  1.0
  Br  Br25  1  0.788  0.893  0.239  1.0
  Br  Br26  1  0.894  0.106  0.760  1.0
[/CIF]
.
The compound described by Na2UBr6 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Na sites. In the first Na site, Na(1) is bonded to one Br(11), one Br(12), one Br(14), one Br(15), one Br(18), and one Br(2) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(4)Br6 octahedra,  an edgeedge with one Na(5)Br6 octahedra,  an edgeedge with one Na(6)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the second Na site, Na(2) is bonded to one Br(1), one Br(17), one Br(4), one Br(7), one Br(8), and one Br(9) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(4)Br6 octahedra,  an edgeedge with one Na(5)Br6 octahedra,  an edgeedge with one Na(6)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the third Na site, Na(3) is bonded to one Br(10), one Br(13), one Br(16), one Br(3), one Br(5), and one Br(6) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(4)Br6 octahedra,  an edgeedge with one Na(5)Br6 octahedra,  an edgeedge with one Na(6)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the fourth Na site, Na(4) is bonded to one Br(11), one Br(12), one Br(16), one Br(3), one Br(4), and one Br(8) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(1)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra,  an edgeedge with one Na(3)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 46-48°. In the fifth Na site, Na(5) is bonded to one Br(1), one Br(14), one Br(15), one Br(5), one Br(6), and one Br(9) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(1)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra,  an edgeedge with one Na(3)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the sixth Na site, Na(6) is bonded to one Br(10), one Br(13), one Br(17), one Br(18), one Br(2), and one Br(7) atom to form NaBr6 octahedra that share corners with two equivalent U(1)Br6 octahedra, corners with two equivalent U(2)Br6 octahedra,  an edgeedge with one Na(1)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra,  an edgeedge with one Na(3)Br6 octahedra, and  an edgeedge with one U(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are three inequivalent U sites. In the first U site, U(1) is bonded to one Br(1), one Br(12), one Br(13), one Br(14), one Br(3), and one Br(7) atom to form UBr6 octahedra that share corners with two equivalent Na(1)Br6 octahedra, corners with two equivalent Na(2)Br6 octahedra, corners with two equivalent Na(3)Br6 octahedra, corners with two equivalent Na(4)Br6 octahedra, corners with two equivalent Na(5)Br6 octahedra, and corners with two equivalent Na(6)Br6 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the second U site, U(2) is bonded to one Br(10), one Br(11), one Br(2), one Br(4), one Br(6), and one Br(9) atom to form UBr6 octahedra that share corners with two equivalent Na(1)Br6 octahedra, corners with two equivalent Na(2)Br6 octahedra, corners with two equivalent Na(3)Br6 octahedra, corners with two equivalent Na(4)Br6 octahedra, corners with two equivalent Na(5)Br6 octahedra, and corners with two equivalent Na(6)Br6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the third U site, U(3) is bonded to one Br(15), one Br(16), one Br(17), one Br(18), one Br(5), and one Br(8) atom to form UBr6 octahedra that share  an edgeedge with one Na(1)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra,  an edgeedge with one Na(3)Br6 octahedra,  an edgeedge with one Na(4)Br6 octahedra,  an edgeedge with one Na(5)Br6 octahedra, and  an edgeedge with one Na(6)Br6 octahedra. There are eighteen inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one Na(2), one Na(5), and one U(1) atom. In the second Br site, Br(2) is bonded in a distorted T-shaped geometry to one Na(1), one Na(6), and one U(2) atom. In the third Br site, Br(3) is bonded in a distorted T-shaped geometry to one Na(3), one Na(4), and one U(1) atom. In the fourth Br site, Br(4) is bonded in a distorted T-shaped geometry to one Na(2), one Na(4), and one U(2) atom. In the fifth Br site, Br(5) is bonded in a distorted T-shaped geometry to one Na(3), one Na(5), and one U(3) atom. In the sixth Br site, Br(6) is bonded in a distorted T-shaped geometry to one Na(3), one Na(5), and one U(2) atom. In the seventh Br site, Br(7) is bonded in a distorted T-shaped geometry to one Na(2), one Na(6), and one U(1) atom. In the eighth Br site, Br(8) is bonded in a distorted T-shaped geometry to one Na(2), one Na(4), and one U(3) atom. In the ninth Br site, Br(9) is bonded in a distorted T-shaped geometry to one Na(2), one Na(5), and one U(2) atom. In the tenth Br site, Br(10) is bonded in a distorted T-shaped geometry to one Na(3), one Na(6), and one U(2) atom. In the eleventh Br site, Br(11) is bonded in a distorted T-shaped geometry to one Na(1), one Na(4), and one U(2) atom. In the twelfth Br site, Br(12) is bonded in a distorted T-shaped geometry to one Na(1), one Na(4), and one U(1) atom. In the thirteenth Br site, Br(13) is bonded in a distorted T-shaped geometry to one Na(3), one Na(6), and one U(1) atom. In the fourteenth Br site, Br(14) is bonded in a distorted T-shaped geometry to one Na(1), one Na(5), and one U(1) atom. In the fifteenth Br site, Br(15) is bonded in a distorted T-shaped geometry to one Na(1), one Na(5), and one U(3) atom. In the sixteenth Br site, Br(16) is bonded in a distorted T-shaped geometry to one Na(3), one Na(4), and one U(3) atom. In the seventeenth Br site, Br(17) is bonded in a distorted T-shaped geometry to one Na(2), one Na(6), and one U(3) atom. In the eighteenth Br site, Br(18) is bonded in a distorted T-shaped geometry to one Na(1), one Na(6), and one U(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Na2UBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.491
_cell_length_b   12.514
_cell_length_c   6.551
_cell_angle_alpha   90.007
_cell_angle_beta   89.978
_cell_angle_gamma   120.006
_symmetry_Int_Tables_number   1
_cell_volume   886.798
_cell_formula_units_Z   3
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  1.000  0.337  0.002  1.0
  Na  Na1  1  0.663  0.662  0.995  1.0
  Na  Na2  1  0.337  0.999  0.999  1.0
  Na  Na3  1  1.000  0.662  0.999  1.0
  Na  Na4  1  0.337  0.339  0.001  1.0
  Na  Na5  1  0.664  0.001  0.002  1.0
  U  U6  1  0.333  0.667  0.498  1.0
  U  U7  1  0.667  0.333  0.502  1.0
  U  U8  1  0.000  1.000  0.000  1.0
  Br  Br9  1  0.442  0.564  0.255  1.0
  Br  Br10  1  0.774  0.225  0.261  1.0
  Br  Br11  1  0.225  0.772  0.737  1.0
  Br  Br12  1  0.773  0.545  0.265  1.0
  Br  Br13  1  0.213  0.106  0.761  1.0
  Br  Br14  1  0.454  0.226  0.265  1.0
  Br  Br15  1  0.546  0.776  0.738  1.0
  Br  Br16  1  0.893  0.784  0.761  1.0
  Br  Br17  1  0.558  0.438  0.748  1.0
  Br  Br18  1  0.560  0.121  0.743  1.0
  Br  Br19  1  0.878  0.439  0.743  1.0
  Br  Br20  1  0.122  0.561  0.253  1.0
  Br  Br21  1  0.439  0.879  0.255  1.0
  Br  Br22  1  0.227  0.455  0.737  1.0
  Br  Br23  1  0.109  0.215  0.238  1.0
  Br  Br24  1  0.106  0.894  0.240  1.0
  Br  Br25  1  0.788  0.893  0.239  1.0
  Br  Br26  1  0.894  0.106  0.760  1.0
[/CIF]
.