The compound described by Na3SmBr6 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are fifteen inequivalent Na sites. In the first Na site, Na(1) is bonded to one Br(1), one Br(2), one Br(29), one Br(3), one Br(4), and one Br(7) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Na(13)Br6 octahedra, corners with two equivalent Na(2)Br6 octahedra, corners with three equivalent Na(15)Br6 octahedra, corners with three equivalent Na(5)Br6 octahedra,  an edgeedge with one Sm(3)Br6 octahedra, edges with two equivalent Sm(1)Br6 octahedra, and  a faceface with one Na(2)Br6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Na site, Na(2) is bonded to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), and one Br(7) atom to form NaBr6 octahedra that share  a cornercorner with one Na(3)Br6 octahedra, corners with two equivalent Na(1)Br6 octahedra, corners with three equivalent Sm(1)Br6 octahedra, corners with three equivalent Sm(3)Br6 octahedra,  an edgeedge with one Na(15)Br6 octahedra, edges with two equivalent Na(5)Br6 octahedra, and  a faceface with one Na(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the third Na site, Na(3) is bonded to one Br(10), one Br(13), one Br(5), one Br(6), one Br(8), and one Br(9) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Na(2)Br6 octahedra, corners with two equivalent Na(4)Br6 octahedra, corners with three equivalent Na(5)Br6 octahedra, corners with three equivalent Na(8)Br6 octahedra,  an edgeedge with one Sm(4)Br6 octahedra, edges with two equivalent Sm(3)Br6 octahedra, and  a faceface with one Na(4)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the fourth Na site, Na(4) is bonded to one Br(10), one Br(11), one Br(13), one Br(6), one Br(8), and one Br(9) atom to form NaBr6 octahedra that share  a cornercorner with one Na(6)Br6 octahedra, corners with two equivalent Na(3)Br6 octahedra, corners with three equivalent Sm(3)Br6 octahedra, corners with three equivalent Sm(4)Br6 octahedra,  an edgeedge with one Na(5)Br6 octahedra, edges with two equivalent Na(8)Br6 octahedra, and  a faceface with one Na(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the fifth Na site, Na(5) is bonded to one Br(1), one Br(13), one Br(3), one Br(4), one Br(5), and one Br(8) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Sm(1)Br6 octahedra, corners with two equivalent Sm(3)Br6 octahedra, corners with three equivalent Na(1)Br6 octahedra, corners with three equivalent Na(3)Br6 octahedra,  an edgeedge with one Na(4)Br6 octahedra, edges with two equivalent Na(2)Br6 octahedra, and  a faceface with one Sm(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the sixth Na site, Na(6) is bonded to one Br(11), one Br(12), one Br(14), one Br(15), one Br(16), and one Br(19) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Na(4)Br6 octahedra, corners with two equivalent Na(7)Br6 octahedra, corners with three equivalent Na(12)Br6 octahedra, corners with three equivalent Na(8)Br6 octahedra,  an edgeedge with one Sm(2)Br6 octahedra, edges with two equivalent Sm(4)Br6 octahedra, and  a faceface with one Na(7)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the seventh Na site, Na(7) is bonded to one Br(12), one Br(14), one Br(15), one Br(16), one Br(17), and one Br(19) atom to form NaBr6 octahedra that share  a cornercorner with one Na(9)Br6 octahedra, corners with two equivalent Na(6)Br6 octahedra, corners with three equivalent Sm(2)Br6 octahedra, corners with three equivalent Sm(4)Br6 octahedra,  an edgeedge with one Na(8)Br6 octahedra, edges with two equivalent Na(12)Br6 octahedra, and  a faceface with one Na(6)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the eighth Na site, Na(8) is bonded to one Br(10), one Br(11), one Br(14), one Br(19), one Br(6), and one Br(9) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Sm(3)Br6 octahedra, corners with two equivalent Sm(4)Br6 octahedra, corners with three equivalent Na(3)Br6 octahedra, corners with three equivalent Na(6)Br6 octahedra,  an edgeedge with one Na(7)Br6 octahedra, edges with two equivalent Na(4)Br6 octahedra, and  a faceface with one Sm(4)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the ninth Na site, Na(9) is bonded to one Br(17), one Br(18), one Br(20), one Br(21), one Br(22), and one Br(25) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Na(7)Br6 octahedra, corners with two equivalent Na(11)Br6 octahedra, corners with three equivalent Na(12)Br6 octahedra, corners with three equivalent Na(14)Br6 octahedra,  an edgeedge with one Sm(5)Br6 octahedra, edges with two equivalent Sm(2)Br6 octahedra, and  a faceface with one Na(11)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the tenth Na site, Na(10) is bonded in a 6-coordinate geometry to one Br(18), one Br(23), one Br(26), one Br(27), one Br(28), and one Br(30) atom. In the eleventh Na site, Na(11) is bonded to one Br(18), one Br(20), one Br(21), one Br(22), one Br(23), and one Br(25) atom to form NaBr6 octahedra that share corners with two equivalent Na(9)Br6 octahedra, corners with three equivalent Sm(2)Br6 octahedra, corners with three equivalent Sm(5)Br6 octahedra,  an edgeedge with one Na(12)Br6 octahedra, edges with two equivalent Na(14)Br6 octahedra, and  a faceface with one Na(9)Br6 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. In the twelfth Na site, Na(12) is bonded to one Br(12), one Br(15), one Br(16), one Br(17), one Br(20), and one Br(25) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Sm(4)Br6 octahedra, corners with two equivalent Sm(2)Br6 octahedra, corners with three equivalent Na(6)Br6 octahedra, corners with three equivalent Na(9)Br6 octahedra,  an edgeedge with one Na(11)Br6 octahedra, edges with two equivalent Na(7)Br6 octahedra, and  a faceface with one Sm(2)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the thirteenth Na site, Na(13) is bonded to one Br(24), one Br(26), one Br(27), one Br(28), one Br(29), and one Br(30) atom to form NaBr6 octahedra that share  a cornercorner with one Na(1)Br6 octahedra, corners with three equivalent Sm(1)Br6 octahedra, corners with three equivalent Sm(5)Br6 octahedra,  an edgeedge with one Na(14)Br6 octahedra, and edges with two equivalent Na(15)Br6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. In the fourteenth Na site, Na(14) is bonded to one Br(18), one Br(21), one Br(22), one Br(23), one Br(26), and one Br(30) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Sm(2)Br6 octahedra, corners with two equivalent Sm(5)Br6 octahedra, corners with three equivalent Na(9)Br6 octahedra,  an edgeedge with one Na(13)Br6 octahedra, edges with two equivalent Na(11)Br6 octahedra, and  a faceface with one Sm(5)Br6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the fifteenth Na site, Na(15) is bonded to one Br(2), one Br(24), one Br(27), one Br(28), one Br(29), and one Br(7) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Sm(5)Br6 octahedra, corners with two equivalent Sm(1)Br6 octahedra, corners with three equivalent Na(1)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra, edges with two equivalent Na(13)Br6 octahedra, and  a faceface with one Sm(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one Br(2), one Br(24), one Br(28), one Br(29), one Br(3), and one Br(7) atom to form SmBr6 octahedra that share  a cornercorner with one Na(5)Br6 octahedra, corners with two equivalent Na(15)Br6 octahedra, corners with three equivalent Na(13)Br6 octahedra, corners with three equivalent Na(2)Br6 octahedra, edges with two equivalent Na(1)Br6 octahedra, and  a faceface with one Na(15)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the second Sm site, Sm(2) is bonded to one Br(12), one Br(16), one Br(17), one Br(20), one Br(21), and one Br(25) atom to form SmBr6 octahedra that share  a cornercorner with one Na(14)Br6 octahedra, corners with two equivalent Na(12)Br6 octahedra, corners with three equivalent Na(11)Br6 octahedra, corners with three equivalent Na(7)Br6 octahedra,  an edgeedge with one Na(6)Br6 octahedra, edges with two equivalent Na(9)Br6 octahedra, and  a faceface with one Na(12)Br6 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. In the third Sm site, Sm(3) is bonded to one Br(1), one Br(13), one Br(4), one Br(5), one Br(8), and one Br(9) atom to form SmBr6 octahedra that share  a cornercorner with one Na(8)Br6 octahedra, corners with two equivalent Na(5)Br6 octahedra, corners with three equivalent Na(2)Br6 octahedra, corners with three equivalent Na(4)Br6 octahedra,  an edgeedge with one Na(1)Br6 octahedra, edges with two equivalent Na(3)Br6 octahedra, and  a faceface with one Na(5)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the fourth Sm site, Sm(4) is bonded to one Br(10), one Br(11), one Br(14), one Br(15), one Br(19), and one Br(6) atom to form SmBr6 octahedra that share  a cornercorner with one Na(12)Br6 octahedra, corners with two equivalent Na(8)Br6 octahedra, corners with three equivalent Na(4)Br6 octahedra, corners with three equivalent Na(7)Br6 octahedra,  an edgeedge with one Na(3)Br6 octahedra, edges with two equivalent Na(6)Br6 octahedra, and  a faceface with one Na(8)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the fifth Sm site, Sm(5) is bonded to one Br(18), one Br(22), one Br(23), one Br(26), one Br(27), and one Br(30) atom to form SmBr6 octahedra that share  a cornercorner with one Na(15)Br6 octahedra, corners with two equivalent Na(14)Br6 octahedra, corners with three equivalent Na(11)Br6 octahedra, corners with three equivalent Na(13)Br6 octahedra,  an edgeedge with one Na(9)Br6 octahedra, and  a faceface with one Na(14)Br6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. There are thirty inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted see-saw-like geometry to one Na(1), one Na(2), one Na(5), and one Sm(3) atom. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(15), one Na(2), and one Sm(1) atom. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(5), and one Sm(1) atom. In the fourth Br site, Br(4) is bonded to one Na(1), one Na(2), one Na(5), and one Sm(3) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the fifth Br site, Br(5) is bonded to one Na(2), one Na(3), one Na(5), and one Sm(3) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the sixth Br site, Br(6) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(4), one Na(8), and one Sm(4) atom. In the seventh Br site, Br(7) is bonded to one Na(1), one Na(15), one Na(2), and one Sm(1) atom to form distorted corner-sharing BrNa3Sm trigonal pyramids. In the eighth Br site, Br(8) is bonded in a distorted see-saw-like geometry to one Na(3), one Na(4), one Na(5), and one Sm(3) atom. In the ninth Br site, Br(9) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(4), one Na(8), and one Sm(3) atom. In the tenth Br site, Br(10) is bonded to one Na(3), one Na(4), one Na(8), and one Sm(4) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the eleventh Br site, Br(11) is bonded to one Na(4), one Na(6), one Na(8), and one Sm(4) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the twelfth Br site, Br(12) is bonded in a rectangular see-saw-like geometry to one Na(12), one Na(6), one Na(7), and one Sm(2) atom. In the thirteenth Br site, Br(13) is bonded to one Na(3), one Na(4), one Na(5), and one Sm(3) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the fourteenth Br site, Br(14) is bonded in a distorted see-saw-like geometry to one Na(6), one Na(7), one Na(8), and one Sm(4) atom. In the fifteenth Br site, Br(15) is bonded in a rectangular see-saw-like geometry to one Na(12), one Na(6), one Na(7), and one Sm(4) atom. In the sixteenth Br site, Br(16) is bonded to one Na(12), one Na(6), one Na(7), and one Sm(2) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the seventeenth Br site, Br(17) is bonded to one Na(12), one Na(7), one Na(9), and one Sm(2) atom to form distorted BrNa3Sm trigonal pyramids that share  a cornercorner with one Br(18)Na4Sm trigonal bipyramid,  a cornercorner with one Br(16)Na3Sm trigonal pyramid,  a cornercorner with one Br(19)Na3Sm trigonal pyramid,  a cornercorner with one Br(22)Na3Sm trigonal pyramid,  a cornercorner with one Br(25)Na3Sm trigonal pyramid,  an edgeedge with one Br(16)Na3Sm trigonal pyramid, and  an edgeedge with one Br(25)Na3Sm trigonal pyramid. In the eighteenth Br site, Br(18) is bonded to one Na(10), one Na(11), one Na(14), one Na(9), and one Sm(5) atom to form a mixture of distorted corner and edge-sharing BrNa4Sm trigonal bipyramids. In the nineteenth Br site, Br(19) is bonded to one Na(6), one Na(7), one Na(8), and one Sm(4) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the twentieth Br site, Br(20) is bonded in a distorted see-saw-like geometry to one Na(11), one Na(12), one Na(9), and one Sm(2) atom. In the twenty-first Br site, Br(21) is bonded in a rectangular see-saw-like geometry to one Na(11), one Na(14), one Na(9), and one Sm(2) atom. In the twenty-second Br site, Br(22) is bonded to one Na(11), one Na(14), one Na(9), and one Sm(5) atom to form distorted BrNa3Sm trigonal pyramids that share  a cornercorner with one Br(17)Na3Sm trigonal pyramid, corners with two equivalent Br(25)Na3Sm trigonal pyramids, edges with two equivalent Br(18)Na4Sm trigonal bipyramids, and  an edgeedge with one Br(30)Na3Sm trigonal pyramid. In the twenty-third Br site, Br(23) is bonded in a rectangular see-saw-like geometry to one Na(10), one Na(11), one Na(14), and one Sm(5) atom. In the twenty-fourth Br site, Br(24) is bonded in a distorted trigonal planar geometry to one Na(13), one Na(15), and one Sm(1) atom. In the twenty-fifth Br site, Br(25) is bonded to one Na(11), one Na(12), one Na(9), and one Sm(2) atom to form distorted BrNa3Sm trigonal pyramids that share corners with two equivalent Br(18)Na4Sm trigonal bipyramids,  a cornercorner with one Br(17)Na3Sm trigonal pyramid, corners with two equivalent Br(22)Na3Sm trigonal pyramids,  an edgeedge with one Br(16)Na3Sm trigonal pyramid, and  an edgeedge with one Br(17)Na3Sm trigonal pyramid. In the twenty-sixth Br site, Br(26) is bonded in a rectangular see-saw-like geometry to one Na(10), one Na(13), one Na(14), and one Sm(5) atom. In the twenty-seventh Br site, Br(27) is bonded in a rectangular see-saw-like geometry to one Na(10), one Na(13), one Na(15), and one Sm(5) atom. In the twenty-eighth Br site, Br(28) is bonded in a rectangular see-saw-like geometry to one Na(10), one Na(13), one Na(15), and one Sm(1) atom. In the twenty-ninth Br site, Br(29) is bonded in a distorted see-saw-like geometry to one Na(1), one Na(13), one Na(15), and one Sm(1) atom. In the thirtieth Br site, Br(30) is bonded to one Na(10), one Na(13), one Na(14), and one Sm(5) atom to form BrNa3Sm trigonal pyramids that share  a cornercorner with one Br(18)Na4Sm trigonal bipyramid,  an edgeedge with one Br(18)Na4Sm trigonal bipyramid, and  an edgeedge with one Br(22)Na3Sm trigonal pyramid. is represented by the CIF card [CIF]
data_Na3SmBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.513
_cell_length_b   8.042
_cell_length_c   31.104
_cell_angle_alpha   94.619
_cell_angle_beta   89.961
_cell_angle_gamma   117.828
_symmetry_Int_Tables_number   1
_cell_volume   1655.039
_cell_formula_units_Z   5
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  0.566  0.134  0.939  1.0
  Na  Na1  1  0.292  0.580  0.899  1.0
  Na  Na2  1  0.166  0.333  0.739  1.0
  Na  Na3  1  0.891  0.781  0.699  1.0
  Na  Na4  1  0.869  0.739  0.839  1.0
  Na  Na5  1  0.766  0.533  0.539  1.0
  Na  Na6  1  0.491  0.981  0.499  1.0
  Na  Na7  1  0.469  0.939  0.639  1.0
  Na  Na8  1  0.369  0.734  0.339  1.0
  Na  Na9  1  0.134  0.258  0.160  1.0
  Na  Na10  1  0.092  0.179  0.300  1.0
  Na  Na11  1  0.069  0.139  0.439  1.0
  Na  Na12  1  0.696  0.401  0.097  1.0
  Na  Na13  1  0.666  0.339  0.240  1.0
  Na  Na14  1  0.273  0.537  0.036  1.0
  Sm  Sm15  1  0.990  0.985  0.000  1.0
  Sm  Sm16  1  0.794  0.589  0.400  1.0
  Sm  Sm17  1  0.594  0.189  0.799  1.0
  Sm  Sm18  1  0.194  0.389  0.599  1.0
  Sm  Sm19  1  0.403  0.802  0.198  1.0
  Br  Br20  1  0.320  0.914  0.852  1.0
  Br  Br21  1  0.220  0.791  0.978  1.0
  Br  Br22  1  0.736  0.847  0.923  1.0
  Br  Br23  1  0.849  0.381  0.876  1.0
  Br  Br24  1  0.420  0.438  0.819  1.0
  Br  Br25  1  0.920  0.114  0.652  1.0
  Br  Br26  1  0.287  0.297  0.956  1.0
  Br  Br27  1  0.819  0.990  0.777  1.0
  Br  Br28  1  0.335  0.045  0.723  1.0
  Br  Br29  1  0.448  0.581  0.676  1.0
  Br  Br30  1  0.020  0.638  0.619  1.0
  Br  Br31  1  0.519  0.313  0.452  1.0
  Br  Br32  1  0.891  0.500  0.756  1.0
  Br  Br33  1  0.419  0.189  0.577  1.0
  Br  Br34  1  0.935  0.245  0.523  1.0
  Br  Br35  1  0.049  0.781  0.476  1.0
  Br  Br36  1  0.621  0.838  0.419  1.0
  Br  Br37  1  0.119  0.508  0.249  1.0
  Br  Br38  1  0.491  0.700  0.556  1.0
  Br  Br39  1  0.019  0.390  0.377  1.0
  Br  Br40  1  0.535  0.446  0.323  1.0
  Br  Br41  1  0.650  0.982  0.276  1.0
  Br  Br42  1  0.216  0.037  0.221  1.0
  Br  Br43  1  0.710  0.707  0.050  1.0
  Br  Br44  1  0.092  0.899  0.356  1.0
  Br  Br45  1  0.583  0.561  0.180  1.0
  Br  Br46  1  0.140  0.614  0.125  1.0
  Br  Br47  1  0.255  0.181  0.076  1.0
  Br  Br48  1  0.822  0.239  0.020  1.0
  Br  Br49  1  0.693  0.111  0.156  1.0
[/CIF]
.
The compound described by Na3SmBr6 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. There are fifteen inequivalent Na sites. In the first Na site, Na(1) is bonded to one Br(1), one Br(2), one Br(29), one Br(3), one Br(4), and one Br(7) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Na(13)Br6 octahedra, corners with two equivalent Na(2)Br6 octahedra, corners with three equivalent Na(15)Br6 octahedra, corners with three equivalent Na(5)Br6 octahedra,  an edgeedge with one Sm(3)Br6 octahedra, edges with two equivalent Sm(1)Br6 octahedra, and  a faceface with one Na(2)Br6 octahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Na site, Na(2) is bonded to one Br(1), one Br(2), one Br(3), one Br(4), one Br(5), and one Br(7) atom to form NaBr6 octahedra that share  a cornercorner with one Na(3)Br6 octahedra, corners with two equivalent Na(1)Br6 octahedra, corners with three equivalent Sm(1)Br6 octahedra, corners with three equivalent Sm(3)Br6 octahedra,  an edgeedge with one Na(15)Br6 octahedra, edges with two equivalent Na(5)Br6 octahedra, and  a faceface with one Na(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the third Na site, Na(3) is bonded to one Br(10), one Br(13), one Br(5), one Br(6), one Br(8), and one Br(9) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Na(2)Br6 octahedra, corners with two equivalent Na(4)Br6 octahedra, corners with three equivalent Na(5)Br6 octahedra, corners with three equivalent Na(8)Br6 octahedra,  an edgeedge with one Sm(4)Br6 octahedra, edges with two equivalent Sm(3)Br6 octahedra, and  a faceface with one Na(4)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the fourth Na site, Na(4) is bonded to one Br(10), one Br(11), one Br(13), one Br(6), one Br(8), and one Br(9) atom to form NaBr6 octahedra that share  a cornercorner with one Na(6)Br6 octahedra, corners with two equivalent Na(3)Br6 octahedra, corners with three equivalent Sm(3)Br6 octahedra, corners with three equivalent Sm(4)Br6 octahedra,  an edgeedge with one Na(5)Br6 octahedra, edges with two equivalent Na(8)Br6 octahedra, and  a faceface with one Na(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the fifth Na site, Na(5) is bonded to one Br(1), one Br(13), one Br(3), one Br(4), one Br(5), and one Br(8) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Sm(1)Br6 octahedra, corners with two equivalent Sm(3)Br6 octahedra, corners with three equivalent Na(1)Br6 octahedra, corners with three equivalent Na(3)Br6 octahedra,  an edgeedge with one Na(4)Br6 octahedra, edges with two equivalent Na(2)Br6 octahedra, and  a faceface with one Sm(3)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the sixth Na site, Na(6) is bonded to one Br(11), one Br(12), one Br(14), one Br(15), one Br(16), and one Br(19) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Na(4)Br6 octahedra, corners with two equivalent Na(7)Br6 octahedra, corners with three equivalent Na(12)Br6 octahedra, corners with three equivalent Na(8)Br6 octahedra,  an edgeedge with one Sm(2)Br6 octahedra, edges with two equivalent Sm(4)Br6 octahedra, and  a faceface with one Na(7)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the seventh Na site, Na(7) is bonded to one Br(12), one Br(14), one Br(15), one Br(16), one Br(17), and one Br(19) atom to form NaBr6 octahedra that share  a cornercorner with one Na(9)Br6 octahedra, corners with two equivalent Na(6)Br6 octahedra, corners with three equivalent Sm(2)Br6 octahedra, corners with three equivalent Sm(4)Br6 octahedra,  an edgeedge with one Na(8)Br6 octahedra, edges with two equivalent Na(12)Br6 octahedra, and  a faceface with one Na(6)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. In the eighth Na site, Na(8) is bonded to one Br(10), one Br(11), one Br(14), one Br(19), one Br(6), and one Br(9) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Sm(3)Br6 octahedra, corners with two equivalent Sm(4)Br6 octahedra, corners with three equivalent Na(3)Br6 octahedra, corners with three equivalent Na(6)Br6 octahedra,  an edgeedge with one Na(7)Br6 octahedra, edges with two equivalent Na(4)Br6 octahedra, and  a faceface with one Sm(4)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the ninth Na site, Na(9) is bonded to one Br(17), one Br(18), one Br(20), one Br(21), one Br(22), and one Br(25) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Na(7)Br6 octahedra, corners with two equivalent Na(11)Br6 octahedra, corners with three equivalent Na(12)Br6 octahedra, corners with three equivalent Na(14)Br6 octahedra,  an edgeedge with one Sm(5)Br6 octahedra, edges with two equivalent Sm(2)Br6 octahedra, and  a faceface with one Na(11)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the tenth Na site, Na(10) is bonded in a 6-coordinate geometry to one Br(18), one Br(23), one Br(26), one Br(27), one Br(28), and one Br(30) atom. In the eleventh Na site, Na(11) is bonded to one Br(18), one Br(20), one Br(21), one Br(22), one Br(23), and one Br(25) atom to form NaBr6 octahedra that share corners with two equivalent Na(9)Br6 octahedra, corners with three equivalent Sm(2)Br6 octahedra, corners with three equivalent Sm(5)Br6 octahedra,  an edgeedge with one Na(12)Br6 octahedra, edges with two equivalent Na(14)Br6 octahedra, and  a faceface with one Na(9)Br6 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. In the twelfth Na site, Na(12) is bonded to one Br(12), one Br(15), one Br(16), one Br(17), one Br(20), and one Br(25) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Sm(4)Br6 octahedra, corners with two equivalent Sm(2)Br6 octahedra, corners with three equivalent Na(6)Br6 octahedra, corners with three equivalent Na(9)Br6 octahedra,  an edgeedge with one Na(11)Br6 octahedra, edges with two equivalent Na(7)Br6 octahedra, and  a faceface with one Sm(2)Br6 octahedra. The corner-sharing octahedral tilt angles range from 50-58°. In the thirteenth Na site, Na(13) is bonded to one Br(24), one Br(26), one Br(27), one Br(28), one Br(29), and one Br(30) atom to form NaBr6 octahedra that share  a cornercorner with one Na(1)Br6 octahedra, corners with three equivalent Sm(1)Br6 octahedra, corners with three equivalent Sm(5)Br6 octahedra,  an edgeedge with one Na(14)Br6 octahedra, and edges with two equivalent Na(15)Br6 octahedra. The corner-sharing octahedral tilt angles range from 38-63°. In the fourteenth Na site, Na(14) is bonded to one Br(18), one Br(21), one Br(22), one Br(23), one Br(26), and one Br(30) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Sm(2)Br6 octahedra, corners with two equivalent Sm(5)Br6 octahedra, corners with three equivalent Na(9)Br6 octahedra,  an edgeedge with one Na(13)Br6 octahedra, edges with two equivalent Na(11)Br6 octahedra, and  a faceface with one Sm(5)Br6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. In the fifteenth Na site, Na(15) is bonded to one Br(2), one Br(24), one Br(27), one Br(28), one Br(29), and one Br(7) atom to form distorted NaBr6 octahedra that share  a cornercorner with one Sm(5)Br6 octahedra, corners with two equivalent Sm(1)Br6 octahedra, corners with three equivalent Na(1)Br6 octahedra,  an edgeedge with one Na(2)Br6 octahedra, edges with two equivalent Na(13)Br6 octahedra, and  a faceface with one Sm(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one Br(2), one Br(24), one Br(28), one Br(29), one Br(3), and one Br(7) atom to form SmBr6 octahedra that share  a cornercorner with one Na(5)Br6 octahedra, corners with two equivalent Na(15)Br6 octahedra, corners with three equivalent Na(13)Br6 octahedra, corners with three equivalent Na(2)Br6 octahedra, edges with two equivalent Na(1)Br6 octahedra, and  a faceface with one Na(15)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the second Sm site, Sm(2) is bonded to one Br(12), one Br(16), one Br(17), one Br(20), one Br(21), and one Br(25) atom to form SmBr6 octahedra that share  a cornercorner with one Na(14)Br6 octahedra, corners with two equivalent Na(12)Br6 octahedra, corners with three equivalent Na(11)Br6 octahedra, corners with three equivalent Na(7)Br6 octahedra,  an edgeedge with one Na(6)Br6 octahedra, edges with two equivalent Na(9)Br6 octahedra, and  a faceface with one Na(12)Br6 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. In the third Sm site, Sm(3) is bonded to one Br(1), one Br(13), one Br(4), one Br(5), one Br(8), and one Br(9) atom to form SmBr6 octahedra that share  a cornercorner with one Na(8)Br6 octahedra, corners with two equivalent Na(5)Br6 octahedra, corners with three equivalent Na(2)Br6 octahedra, corners with three equivalent Na(4)Br6 octahedra,  an edgeedge with one Na(1)Br6 octahedra, edges with two equivalent Na(3)Br6 octahedra, and  a faceface with one Na(5)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the fourth Sm site, Sm(4) is bonded to one Br(10), one Br(11), one Br(14), one Br(15), one Br(19), and one Br(6) atom to form SmBr6 octahedra that share  a cornercorner with one Na(12)Br6 octahedra, corners with two equivalent Na(8)Br6 octahedra, corners with three equivalent Na(4)Br6 octahedra, corners with three equivalent Na(7)Br6 octahedra,  an edgeedge with one Na(3)Br6 octahedra, edges with two equivalent Na(6)Br6 octahedra, and  a faceface with one Na(8)Br6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the fifth Sm site, Sm(5) is bonded to one Br(18), one Br(22), one Br(23), one Br(26), one Br(27), and one Br(30) atom to form SmBr6 octahedra that share  a cornercorner with one Na(15)Br6 octahedra, corners with two equivalent Na(14)Br6 octahedra, corners with three equivalent Na(11)Br6 octahedra, corners with three equivalent Na(13)Br6 octahedra,  an edgeedge with one Na(9)Br6 octahedra, and  a faceface with one Na(14)Br6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. There are thirty inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted see-saw-like geometry to one Na(1), one Na(2), one Na(5), and one Sm(3) atom. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(15), one Na(2), and one Sm(1) atom. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Na(5), and one Sm(1) atom. In the fourth Br site, Br(4) is bonded to one Na(1), one Na(2), one Na(5), and one Sm(3) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the fifth Br site, Br(5) is bonded to one Na(2), one Na(3), one Na(5), and one Sm(3) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the sixth Br site, Br(6) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(4), one Na(8), and one Sm(4) atom. In the seventh Br site, Br(7) is bonded to one Na(1), one Na(15), one Na(2), and one Sm(1) atom to form distorted corner-sharing BrNa3Sm trigonal pyramids. In the eighth Br site, Br(8) is bonded in a distorted see-saw-like geometry to one Na(3), one Na(4), one Na(5), and one Sm(3) atom. In the ninth Br site, Br(9) is bonded in a rectangular see-saw-like geometry to one Na(3), one Na(4), one Na(8), and one Sm(3) atom. In the tenth Br site, Br(10) is bonded to one Na(3), one Na(4), one Na(8), and one Sm(4) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the eleventh Br site, Br(11) is bonded to one Na(4), one Na(6), one Na(8), and one Sm(4) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the twelfth Br site, Br(12) is bonded in a rectangular see-saw-like geometry to one Na(12), one Na(6), one Na(7), and one Sm(2) atom. In the thirteenth Br site, Br(13) is bonded to one Na(3), one Na(4), one Na(5), and one Sm(3) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the fourteenth Br site, Br(14) is bonded in a distorted see-saw-like geometry to one Na(6), one Na(7), one Na(8), and one Sm(4) atom. In the fifteenth Br site, Br(15) is bonded in a rectangular see-saw-like geometry to one Na(12), one Na(6), one Na(7), and one Sm(4) atom. In the sixteenth Br site, Br(16) is bonded to one Na(12), one Na(6), one Na(7), and one Sm(2) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the seventeenth Br site, Br(17) is bonded to one Na(12), one Na(7), one Na(9), and one Sm(2) atom to form distorted BrNa3Sm trigonal pyramids that share  a cornercorner with one Br(18)Na4Sm trigonal bipyramid,  a cornercorner with one Br(16)Na3Sm trigonal pyramid,  a cornercorner with one Br(19)Na3Sm trigonal pyramid,  a cornercorner with one Br(22)Na3Sm trigonal pyramid,  a cornercorner with one Br(25)Na3Sm trigonal pyramid,  an edgeedge with one Br(16)Na3Sm trigonal pyramid, and  an edgeedge with one Br(25)Na3Sm trigonal pyramid. In the eighteenth Br site, Br(18) is bonded to one Na(10), one Na(11), one Na(14), one Na(9), and one Sm(5) atom to form a mixture of distorted corner and edge-sharing BrNa4Sm trigonal bipyramids. In the nineteenth Br site, Br(19) is bonded to one Na(6), one Na(7), one Na(8), and one Sm(4) atom to form a mixture of distorted corner and edge-sharing BrNa3Sm trigonal pyramids. In the twentieth Br site, Br(20) is bonded in a distorted see-saw-like geometry to one Na(11), one Na(12), one Na(9), and one Sm(2) atom. In the twenty-first Br site, Br(21) is bonded in a rectangular see-saw-like geometry to one Na(11), one Na(14), one Na(9), and one Sm(2) atom. In the twenty-second Br site, Br(22) is bonded to one Na(11), one Na(14), one Na(9), and one Sm(5) atom to form distorted BrNa3Sm trigonal pyramids that share  a cornercorner with one Br(17)Na3Sm trigonal pyramid, corners with two equivalent Br(25)Na3Sm trigonal pyramids, edges with two equivalent Br(18)Na4Sm trigonal bipyramids, and  an edgeedge with one Br(30)Na3Sm trigonal pyramid. In the twenty-third Br site, Br(23) is bonded in a rectangular see-saw-like geometry to one Na(10), one Na(11), one Na(14), and one Sm(5) atom. In the twenty-fourth Br site, Br(24) is bonded in a distorted trigonal planar geometry to one Na(13), one Na(15), and one Sm(1) atom. In the twenty-fifth Br site, Br(25) is bonded to one Na(11), one Na(12), one Na(9), and one Sm(2) atom to form distorted BrNa3Sm trigonal pyramids that share corners with two equivalent Br(18)Na4Sm trigonal bipyramids,  a cornercorner with one Br(17)Na3Sm trigonal pyramid, corners with two equivalent Br(22)Na3Sm trigonal pyramids,  an edgeedge with one Br(16)Na3Sm trigonal pyramid, and  an edgeedge with one Br(17)Na3Sm trigonal pyramid. In the twenty-sixth Br site, Br(26) is bonded in a rectangular see-saw-like geometry to one Na(10), one Na(13), one Na(14), and one Sm(5) atom. In the twenty-seventh Br site, Br(27) is bonded in a rectangular see-saw-like geometry to one Na(10), one Na(13), one Na(15), and one Sm(5) atom. In the twenty-eighth Br site, Br(28) is bonded in a rectangular see-saw-like geometry to one Na(10), one Na(13), one Na(15), and one Sm(1) atom. In the twenty-ninth Br site, Br(29) is bonded in a distorted see-saw-like geometry to one Na(1), one Na(13), one Na(15), and one Sm(1) atom. In the thirtieth Br site, Br(30) is bonded to one Na(10), one Na(13), one Na(14), and one Sm(5) atom to form BrNa3Sm trigonal pyramids that share  a cornercorner with one Br(18)Na4Sm trigonal bipyramid,  an edgeedge with one Br(18)Na4Sm trigonal bipyramid, and  an edgeedge with one Br(22)Na3Sm trigonal pyramid. is represented by the CIF card [CIF]
data_Na3SmBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.513
_cell_length_b   8.042
_cell_length_c   31.104
_cell_angle_alpha   94.619
_cell_angle_beta   89.961
_cell_angle_gamma   117.828
_symmetry_Int_Tables_number   1
_cell_volume   1655.039
_cell_formula_units_Z   5
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  0.566  0.134  0.939  1.0
  Na  Na1  1  0.292  0.580  0.899  1.0
  Na  Na2  1  0.166  0.333  0.739  1.0
  Na  Na3  1  0.891  0.781  0.699  1.0
  Na  Na4  1  0.869  0.739  0.839  1.0
  Na  Na5  1  0.766  0.533  0.539  1.0
  Na  Na6  1  0.491  0.981  0.499  1.0
  Na  Na7  1  0.469  0.939  0.639  1.0
  Na  Na8  1  0.369  0.734  0.339  1.0
  Na  Na9  1  0.134  0.258  0.160  1.0
  Na  Na10  1  0.092  0.179  0.300  1.0
  Na  Na11  1  0.069  0.139  0.439  1.0
  Na  Na12  1  0.696  0.401  0.097  1.0
  Na  Na13  1  0.666  0.339  0.240  1.0
  Na  Na14  1  0.273  0.537  0.036  1.0
  Sm  Sm15  1  0.990  0.985  0.000  1.0
  Sm  Sm16  1  0.794  0.589  0.400  1.0
  Sm  Sm17  1  0.594  0.189  0.799  1.0
  Sm  Sm18  1  0.194  0.389  0.599  1.0
  Sm  Sm19  1  0.403  0.802  0.198  1.0
  Br  Br20  1  0.320  0.914  0.852  1.0
  Br  Br21  1  0.220  0.791  0.978  1.0
  Br  Br22  1  0.736  0.847  0.923  1.0
  Br  Br23  1  0.849  0.381  0.876  1.0
  Br  Br24  1  0.420  0.438  0.819  1.0
  Br  Br25  1  0.920  0.114  0.652  1.0
  Br  Br26  1  0.287  0.297  0.956  1.0
  Br  Br27  1  0.819  0.990  0.777  1.0
  Br  Br28  1  0.335  0.045  0.723  1.0
  Br  Br29  1  0.448  0.581  0.676  1.0
  Br  Br30  1  0.020  0.638  0.619  1.0
  Br  Br31  1  0.519  0.313  0.452  1.0
  Br  Br32  1  0.891  0.500  0.756  1.0
  Br  Br33  1  0.419  0.189  0.577  1.0
  Br  Br34  1  0.935  0.245  0.523  1.0
  Br  Br35  1  0.049  0.781  0.476  1.0
  Br  Br36  1  0.621  0.838  0.419  1.0
  Br  Br37  1  0.119  0.508  0.249  1.0
  Br  Br38  1  0.491  0.700  0.556  1.0
  Br  Br39  1  0.019  0.390  0.377  1.0
  Br  Br40  1  0.535  0.446  0.323  1.0
  Br  Br41  1  0.650  0.982  0.276  1.0
  Br  Br42  1  0.216  0.037  0.221  1.0
  Br  Br43  1  0.710  0.707  0.050  1.0
  Br  Br44  1  0.092  0.899  0.356  1.0
  Br  Br45  1  0.583  0.561  0.180  1.0
  Br  Br46  1  0.140  0.614  0.125  1.0
  Br  Br47  1  0.255  0.181  0.076  1.0
  Br  Br48  1  0.822  0.239  0.020  1.0
  Br  Br49  1  0.693  0.111  0.156  1.0
[/CIF]
.