The compound described by BaSm5Al3Si9N20O crystallizes in the triclinic P1 space group. Ba(1) is bonded in a body-centered cubic geometry to one N(10), one N(12), one N(14), one N(20), one N(3), one N(5), and two equivalent O(1) atoms. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one N(14), one N(16), one N(2), one N(3), one N(4), and one O(1) atom to form SmN5O octahedra that share  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Al(2)N4 tetrahedra, and corners with two equivalent Si(2)N4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one N(11), one N(15), one N(2), one N(4), one N(6), one N(7), and one N(8) atom. In the third Sm site, Sm(3) is bonded to one N(11), one N(12), one N(13), one N(5), one N(6), and one O(1) atom to form SmN5O octahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Al(1)N4 tetrahedra, and corners with two equivalent Si(7)N4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the fourth Sm site, Sm(4) is bonded in a 7-coordinate geometry to one N(11), one N(13), one N(15), one N(16), one N(17), one N(19), and one N(2) atom. In the fifth Sm site, Sm(5) is bonded to one N(10), one N(15), one N(19), one N(20), one N(8), and one O(1) atom to form SmN5O octahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Al(3)N4 tetrahedra, and corners with two equivalent Si(4)N4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one N(5), one N(6), one N(7), and one N(9) atom to form AlN4 tetrahedra that share corners with two equivalent Sm(3)N5O octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and  a cornercorner with one Si(9)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the second Al site, Al(2) is bonded to one N(1), one N(14), one N(16), and one N(17) atom to form AlN4 tetrahedra that share corners with two equivalent Sm(1)N5O octahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and  a cornercorner with one Si(9)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-68°. In the third Al site, Al(3) is bonded to one N(17), one N(18), one N(19), and one N(20) atom to form AlN4 tetrahedra that share corners with two equivalent Sm(5)N5O octahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra, and  a cornercorner with one Si(9)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-65°. There are nine inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(19), one N(2), and one N(5) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra, and corners with two equivalent Si(9)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-64°. In the second Si site, Si(2) is bonded to one N(1), one N(3), one N(4), and one N(7) atom to form SiN4 tetrahedra that share corners with two equivalent Sm(1)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra, and  a cornercorner with one Si(9)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the third Si site, Si(3) is bonded to one N(13), one N(15), one N(18), and one N(3) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and corners with two equivalent Si(8)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-67°. In the fourth Si site, Si(4) is bonded to one N(10), one N(18), one N(7), and one N(8) atom to form SiN4 tetrahedra that share corners with two equivalent Sm(5)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra, and  a cornercorner with one Si(8)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the fifth Si site, Si(5) is bonded to one N(10), one N(11), one N(16), and one N(9) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and corners with two equivalent Si(6)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the sixth Si site, Si(6) is bonded to one N(11), one N(14), one N(8), and one N(9) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and corners with two equivalent Si(5)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-69°. In the seventh Si site, Si(7) is bonded to one N(12), one N(13), one N(17), and one N(9) atom to form SiN4 tetrahedra that share corners with two equivalent Sm(3)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra, and  a cornercorner with one Si(8)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the eighth Si site, Si(8) is bonded to one N(12), one N(15), one N(18), and one N(4) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and corners with two equivalent Si(3)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the ninth Si site, Si(9) is bonded to one N(1), one N(2), one N(20), and one N(6) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra, and corners with two equivalent Si(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are twenty inequivalent N sites. In the first N site, N(1) is bonded to one Al(2), one Si(1), one Si(2), and one Si(9) atom to form NAlSi3 tetrahedra that share  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra,  a cornercorner with one N(17)SmAl2Si tetrahedra,  a cornercorner with one N(7)SmAlSi2 tetrahedra, and corners with two equivalent N(2)Sm3Si2 trigonal bipyramids. In the second N site, N(2) is bonded to one Sm(1), one Sm(2), one Sm(4), one Si(1), and one Si(9) atom to form distorted NSm3Si2 trigonal bipyramids that share  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra,  a cornercorner with one N(17)SmAl2Si tetrahedra,  a cornercorner with one N(7)SmAlSi2 tetrahedra, corners with two equivalent N(1)AlSi3 tetrahedra,  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid,  an edgeedge with one N(16)Sm2AlSi tetrahedra,  an edgeedge with one N(19)Sm2AlSi tetrahedra,  an edgeedge with one N(6)Sm2AlSi tetrahedra, and  an edgeedge with one N(4)Sm2Si2 tetrahedra. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(1), one Si(2), and one Si(3) atom. In the fourth N site, N(4) is bonded to one Sm(1), one Sm(2), one Si(2), and one Si(8) atom to form distorted NSm2Si2 tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra, corners with two equivalent N(7)SmAlSi2 tetrahedra,  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid, and  an edgeedge with one N(2)Sm3Si2 trigonal bipyramid. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(3), one Al(1), and one Si(1) atom. In the sixth N site, N(6) is bonded to one Sm(2), one Sm(3), one Al(1), and one Si(9) atom to form distorted NSm2AlSi tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra, corners with two equivalent N(7)SmAlSi2 tetrahedra,  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid, and  an edgeedge with one N(2)Sm3Si2 trigonal bipyramid. In the seventh N site, N(7) is bonded to one Sm(2), one Al(1), one Si(2), and one Si(4) atom to form NSmAlSi2 tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra, corners with two equivalent N(6)Sm2AlSi tetrahedra, corners with two equivalent N(4)Sm2Si2 tetrahedra, corners with two equivalent N(8)Sm2Si2 tetrahedra, and  a cornercorner with one N(2)Sm3Si2 trigonal bipyramid. In the eighth N site, N(8) is bonded to one Sm(2), one Sm(5), one Si(4), and one Si(6) atom to form distorted NSm2Si2 tetrahedra that share  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra,  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra, corners with two equivalent N(7)SmAlSi2 tetrahedra,  a cornercorner with one N(2)Sm3Si2 trigonal bipyramid, and  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid. In the ninth N site, N(9) is bonded to one Al(1), one Si(5), one Si(6), and one Si(7) atom to form NAlSi3 tetrahedra that share  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra,  a cornercorner with one N(17)SmAl2Si tetrahedra, and  a cornercorner with one N(7)SmAlSi2 tetrahedra. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(5), one Si(4), and one Si(5) atom. In the eleventh N site, N(11) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one Sm(4), one Si(5), and one Si(6) atom. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(3), one Si(7), and one Si(8) atom. In the thirteenth N site, N(13) is bonded to one Sm(3), one Sm(4), one Si(3), and one Si(7) atom to form distorted NSm2Si2 tetrahedra that share  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra,  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra, corners with two equivalent N(17)SmAl2Si tetrahedra,  a cornercorner with one N(2)Sm3Si2 trigonal bipyramid, and  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid. In the fourteenth N site, N(14) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(1), one Al(2), and one Si(6) atom. In the fifteenth N site, N(15) is bonded in a distorted bent 120 degrees geometry to one Sm(2), one Sm(4), one Sm(5), one Si(3), and one Si(8) atom. In the sixteenth N site, N(16) is bonded to one Sm(1), one Sm(4), one Al(2), and one Si(5) atom to form distorted NSm2AlSi tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra,  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra, corners with two equivalent N(17)SmAl2Si tetrahedra,  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid, and  an edgeedge with one N(2)Sm3Si2 trigonal bipyramid. In the seventeenth N site, N(17) is bonded to one Sm(4), one Al(2), one Al(3), and one Si(7) atom to form NSmAl2Si tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra, corners with two equivalent N(16)Sm2AlSi tetrahedra, corners with two equivalent N(19)Sm2AlSi tetrahedra, corners with two equivalent N(13)Sm2Si2 tetrahedra, and  a cornercorner with one N(2)Sm3Si2 trigonal bipyramid. In the eighteenth N site, N(18) is bonded to one Al(3), one Si(3), one Si(4), and one Si(8) atom to form NAlSi3 tetrahedra that share  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra,  a cornercorner with one N(17)SmAl2Si tetrahedra, and  a cornercorner with one N(7)SmAlSi2 tetrahedra. In the nineteenth N site, N(19) is bonded to one Sm(4), one Sm(5), one Al(3), and one Si(1) atom to form distorted NSm2AlSi tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra, corners with two equivalent N(17)SmAl2Si tetrahedra,  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid, and  an edgeedge with one N(2)Sm3Si2 trigonal bipyramid. In the twentieth N site, N(20) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(5), one Al(3), and one Si(9) atom. O(1) is bonded to two equivalent Ba(1), one Sm(1), one Sm(3), and one Sm(5) atom to form distorted OBa2Sm3 trigonal bipyramids that share  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra,  a cornercorner with one N(2)Sm3Si2 trigonal bipyramid, and corners with two equivalent O(1)Ba2Sm3 trigonal bipyramids. is represented by the CIF card [CIF]
data_BaSm5Al3Si9N20O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.073
_cell_length_b   9.563
_cell_length_c   9.653
_cell_angle_alpha   60.847
_cell_angle_beta   89.909
_cell_angle_gamma   89.947
_symmetry_Int_Tables_number   1
_cell_volume   489.555
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.005  0.998  1.0
  Sm  Sm1  1  0.499  0.756  0.997  1.0
  Sm  Sm2  1  0.496  0.331  0.331  1.0
  Sm  Sm3  1  0.502  0.000  0.245  1.0
  Sm  Sm4  1  0.506  0.664  0.672  1.0
  Sm  Sm5  1  0.499  0.245  0.758  1.0
  Al  Al6  1  0.986  0.178  0.283  1.0
  Al  Al7  1  0.016  0.718  0.819  1.0
  Al  Al8  1  0.015  0.466  0.717  1.0
  Si  Si9  1  0.741  0.393  0.990  1.0
  Si  Si10  1  0.984  0.528  0.186  1.0
  Si  Si11  1  0.748  0.614  0.395  1.0
  Si  Si12  1  0.985  0.289  0.523  1.0
  Si  Si13  1  0.745  0.990  0.615  1.0
  Si  Si14  1  0.254  0.012  0.605  1.0
  Si  Si15  1  0.018  0.810  0.477  1.0
  Si  Si16  1  0.250  0.604  0.384  1.0
  Si  Si17  1  0.257  0.380  0.014  1.0
  N  N18  1  0.997  0.508  0.009  1.0
  N  N19  1  0.498  0.488  0.002  1.0
  N  N20  1  0.786  0.652  0.200  1.0
  N  N21  1  0.244  0.577  0.219  1.0
  N  N22  1  0.772  0.199  0.141  1.0
  N  N23  1  0.263  0.217  0.201  1.0
  N  N24  1  0.906  0.337  0.333  1.0
  N  N25  1  0.245  0.208  0.571  1.0
  N  N26  1  0.001  0.992  0.493  1.0
  N  N27  1  0.787  0.155  0.644  1.0
  N  N28  1  0.501  0.006  0.511  1.0
  N  N29  1  0.209  0.800  0.347  1.0
  N  N30  1  0.756  0.777  0.427  1.0
  N  N31  1  0.225  0.868  0.800  1.0
  N  N32  1  0.498  0.517  0.481  1.0
  N  N33  1  0.739  0.805  0.781  1.0
  N  N34  1  0.104  0.670  0.662  1.0
  N  N35  1  0.997  0.485  0.507  1.0
  N  N36  1  0.738  0.420  0.801  1.0
  N  N37  1  0.223  0.339  0.862  1.0
  O  O38  1  0.507  1.000  0.001  1.0
[/CIF]
.
The compound described by BaSm5Al3Si9N20O crystallizes in the triclinic P1 space group. Ba(1) is bonded in a body-centered cubic geometry to one N(10), one N(12), one N(14), one N(20), one N(3), one N(5), and two equivalent O(1) atoms. There are five inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one N(14), one N(16), one N(2), one N(3), one N(4), and one O(1) atom to form SmN5O octahedra that share  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Al(2)N4 tetrahedra, and corners with two equivalent Si(2)N4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one N(11), one N(15), one N(2), one N(4), one N(6), one N(7), and one N(8) atom. In the third Sm site, Sm(3) is bonded to one N(11), one N(12), one N(13), one N(5), one N(6), and one O(1) atom to form SmN5O octahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Al(1)N4 tetrahedra, and corners with two equivalent Si(7)N4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. In the fourth Sm site, Sm(4) is bonded in a 7-coordinate geometry to one N(11), one N(13), one N(15), one N(16), one N(17), one N(19), and one N(2) atom. In the fifth Sm site, Sm(5) is bonded to one N(10), one N(15), one N(19), one N(20), one N(8), and one O(1) atom to form SmN5O octahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra,  a cornercorner with one Si(9)N4 tetrahedra, corners with two equivalent Al(3)N4 tetrahedra, and corners with two equivalent Si(4)N4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one N(5), one N(6), one N(7), and one N(9) atom to form AlN4 tetrahedra that share corners with two equivalent Sm(3)N5O octahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and  a cornercorner with one Si(9)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the second Al site, Al(2) is bonded to one N(1), one N(14), one N(16), and one N(17) atom to form AlN4 tetrahedra that share corners with two equivalent Sm(1)N5O octahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and  a cornercorner with one Si(9)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-68°. In the third Al site, Al(3) is bonded to one N(17), one N(18), one N(19), and one N(20) atom to form AlN4 tetrahedra that share corners with two equivalent Sm(5)N5O octahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra, and  a cornercorner with one Si(9)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-65°. There are nine inequivalent Si sites. In the first Si site, Si(1) is bonded to one N(1), one N(19), one N(2), and one N(5) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra, and corners with two equivalent Si(9)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-64°. In the second Si site, Si(2) is bonded to one N(1), one N(3), one N(4), and one N(7) atom to form SiN4 tetrahedra that share corners with two equivalent Sm(1)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Si(1)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(8)N4 tetrahedra, and  a cornercorner with one Si(9)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the third Si site, Si(3) is bonded to one N(13), one N(15), one N(18), and one N(3) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and corners with two equivalent Si(8)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-67°. In the fourth Si site, Si(4) is bonded to one N(10), one N(18), one N(7), and one N(8) atom to form SiN4 tetrahedra that share corners with two equivalent Sm(5)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra, and  a cornercorner with one Si(8)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-60°. In the fifth Si site, Si(5) is bonded to one N(10), one N(11), one N(16), and one N(9) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and corners with two equivalent Si(6)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the sixth Si site, Si(6) is bonded to one N(11), one N(14), one N(8), and one N(9) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and corners with two equivalent Si(5)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-69°. In the seventh Si site, Si(7) is bonded to one N(12), one N(13), one N(17), and one N(9) atom to form SiN4 tetrahedra that share corners with two equivalent Sm(3)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(3)N4 tetrahedra,  a cornercorner with one Si(5)N4 tetrahedra,  a cornercorner with one Si(6)N4 tetrahedra, and  a cornercorner with one Si(8)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the eighth Si site, Si(8) is bonded to one N(12), one N(15), one N(18), and one N(4) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra,  a cornercorner with one Si(4)N4 tetrahedra,  a cornercorner with one Si(7)N4 tetrahedra, and corners with two equivalent Si(3)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-65°. In the ninth Si site, Si(9) is bonded to one N(1), one N(2), one N(20), and one N(6) atom to form SiN4 tetrahedra that share  a cornercorner with one Sm(1)N5O octahedra,  a cornercorner with one Sm(3)N5O octahedra,  a cornercorner with one Sm(5)N5O octahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Si(2)N4 tetrahedra, and corners with two equivalent Si(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are twenty inequivalent N sites. In the first N site, N(1) is bonded to one Al(2), one Si(1), one Si(2), and one Si(9) atom to form NAlSi3 tetrahedra that share  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra,  a cornercorner with one N(17)SmAl2Si tetrahedra,  a cornercorner with one N(7)SmAlSi2 tetrahedra, and corners with two equivalent N(2)Sm3Si2 trigonal bipyramids. In the second N site, N(2) is bonded to one Sm(1), one Sm(2), one Sm(4), one Si(1), and one Si(9) atom to form distorted NSm3Si2 trigonal bipyramids that share  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra,  a cornercorner with one N(17)SmAl2Si tetrahedra,  a cornercorner with one N(7)SmAlSi2 tetrahedra, corners with two equivalent N(1)AlSi3 tetrahedra,  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid,  an edgeedge with one N(16)Sm2AlSi tetrahedra,  an edgeedge with one N(19)Sm2AlSi tetrahedra,  an edgeedge with one N(6)Sm2AlSi tetrahedra, and  an edgeedge with one N(4)Sm2Si2 tetrahedra. In the third N site, N(3) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(1), one Si(2), and one Si(3) atom. In the fourth N site, N(4) is bonded to one Sm(1), one Sm(2), one Si(2), and one Si(8) atom to form distorted NSm2Si2 tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra, corners with two equivalent N(7)SmAlSi2 tetrahedra,  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid, and  an edgeedge with one N(2)Sm3Si2 trigonal bipyramid. In the fifth N site, N(5) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(3), one Al(1), and one Si(1) atom. In the sixth N site, N(6) is bonded to one Sm(2), one Sm(3), one Al(1), and one Si(9) atom to form distorted NSm2AlSi tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra, corners with two equivalent N(7)SmAlSi2 tetrahedra,  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid, and  an edgeedge with one N(2)Sm3Si2 trigonal bipyramid. In the seventh N site, N(7) is bonded to one Sm(2), one Al(1), one Si(2), and one Si(4) atom to form NSmAlSi2 tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra, corners with two equivalent N(6)Sm2AlSi tetrahedra, corners with two equivalent N(4)Sm2Si2 tetrahedra, corners with two equivalent N(8)Sm2Si2 tetrahedra, and  a cornercorner with one N(2)Sm3Si2 trigonal bipyramid. In the eighth N site, N(8) is bonded to one Sm(2), one Sm(5), one Si(4), and one Si(6) atom to form distorted NSm2Si2 tetrahedra that share  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra,  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra, corners with two equivalent N(7)SmAlSi2 tetrahedra,  a cornercorner with one N(2)Sm3Si2 trigonal bipyramid, and  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid. In the ninth N site, N(9) is bonded to one Al(1), one Si(5), one Si(6), and one Si(7) atom to form NAlSi3 tetrahedra that share  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra,  a cornercorner with one N(17)SmAl2Si tetrahedra, and  a cornercorner with one N(7)SmAlSi2 tetrahedra. In the tenth N site, N(10) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(5), one Si(4), and one Si(5) atom. In the eleventh N site, N(11) is bonded in a 5-coordinate geometry to one Sm(2), one Sm(3), one Sm(4), one Si(5), and one Si(6) atom. In the twelfth N site, N(12) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(3), one Si(7), and one Si(8) atom. In the thirteenth N site, N(13) is bonded to one Sm(3), one Sm(4), one Si(3), and one Si(7) atom to form distorted NSm2Si2 tetrahedra that share  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra,  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra, corners with two equivalent N(17)SmAl2Si tetrahedra,  a cornercorner with one N(2)Sm3Si2 trigonal bipyramid, and  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid. In the fourteenth N site, N(14) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(1), one Al(2), and one Si(6) atom. In the fifteenth N site, N(15) is bonded in a distorted bent 120 degrees geometry to one Sm(2), one Sm(4), one Sm(5), one Si(3), and one Si(8) atom. In the sixteenth N site, N(16) is bonded to one Sm(1), one Sm(4), one Al(2), and one Si(5) atom to form distorted NSm2AlSi tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra,  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra, corners with two equivalent N(17)SmAl2Si tetrahedra,  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid, and  an edgeedge with one N(2)Sm3Si2 trigonal bipyramid. In the seventeenth N site, N(17) is bonded to one Sm(4), one Al(2), one Al(3), and one Si(7) atom to form NSmAl2Si tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(9)AlSi3 tetrahedra, corners with two equivalent N(16)Sm2AlSi tetrahedra, corners with two equivalent N(19)Sm2AlSi tetrahedra, corners with two equivalent N(13)Sm2Si2 tetrahedra, and  a cornercorner with one N(2)Sm3Si2 trigonal bipyramid. In the eighteenth N site, N(18) is bonded to one Al(3), one Si(3), one Si(4), and one Si(8) atom to form NAlSi3 tetrahedra that share  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra,  a cornercorner with one N(17)SmAl2Si tetrahedra, and  a cornercorner with one N(7)SmAlSi2 tetrahedra. In the nineteenth N site, N(19) is bonded to one Sm(4), one Sm(5), one Al(3), and one Si(1) atom to form distorted NSm2AlSi tetrahedra that share  a cornercorner with one N(1)AlSi3 tetrahedra,  a cornercorner with one N(18)AlSi3 tetrahedra,  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra, corners with two equivalent N(17)SmAl2Si tetrahedra,  a cornercorner with one O(1)Ba2Sm3 trigonal bipyramid, and  an edgeedge with one N(2)Sm3Si2 trigonal bipyramid. In the twentieth N site, N(20) is bonded in a 3-coordinate geometry to one Ba(1), one Sm(5), one Al(3), and one Si(9) atom. O(1) is bonded to two equivalent Ba(1), one Sm(1), one Sm(3), and one Sm(5) atom to form distorted OBa2Sm3 trigonal bipyramids that share  a cornercorner with one N(16)Sm2AlSi tetrahedra,  a cornercorner with one N(19)Sm2AlSi tetrahedra,  a cornercorner with one N(6)Sm2AlSi tetrahedra,  a cornercorner with one N(13)Sm2Si2 tetrahedra,  a cornercorner with one N(4)Sm2Si2 tetrahedra,  a cornercorner with one N(8)Sm2Si2 tetrahedra,  a cornercorner with one N(2)Sm3Si2 trigonal bipyramid, and corners with two equivalent O(1)Ba2Sm3 trigonal bipyramids. is represented by the CIF card [CIF]
data_BaSm5Al3Si9N20O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.073
_cell_length_b   9.563
_cell_length_c   9.653
_cell_angle_alpha   60.847
_cell_angle_beta   89.909
_cell_angle_gamma   89.947
_symmetry_Int_Tables_number   1
_cell_volume   489.555
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.005  0.998  1.0
  Sm  Sm1  1  0.499  0.756  0.997  1.0
  Sm  Sm2  1  0.496  0.331  0.331  1.0
  Sm  Sm3  1  0.502  0.000  0.245  1.0
  Sm  Sm4  1  0.506  0.664  0.672  1.0
  Sm  Sm5  1  0.499  0.245  0.758  1.0
  Al  Al6  1  0.986  0.178  0.283  1.0
  Al  Al7  1  0.016  0.718  0.819  1.0
  Al  Al8  1  0.015  0.466  0.717  1.0
  Si  Si9  1  0.741  0.393  0.990  1.0
  Si  Si10  1  0.984  0.528  0.186  1.0
  Si  Si11  1  0.748  0.614  0.395  1.0
  Si  Si12  1  0.985  0.289  0.523  1.0
  Si  Si13  1  0.745  0.990  0.615  1.0
  Si  Si14  1  0.254  0.012  0.605  1.0
  Si  Si15  1  0.018  0.810  0.477  1.0
  Si  Si16  1  0.250  0.604  0.384  1.0
  Si  Si17  1  0.257  0.380  0.014  1.0
  N  N18  1  0.997  0.508  0.009  1.0
  N  N19  1  0.498  0.488  0.002  1.0
  N  N20  1  0.786  0.652  0.200  1.0
  N  N21  1  0.244  0.577  0.219  1.0
  N  N22  1  0.772  0.199  0.141  1.0
  N  N23  1  0.263  0.217  0.201  1.0
  N  N24  1  0.906  0.337  0.333  1.0
  N  N25  1  0.245  0.208  0.571  1.0
  N  N26  1  0.001  0.992  0.493  1.0
  N  N27  1  0.787  0.155  0.644  1.0
  N  N28  1  0.501  0.006  0.511  1.0
  N  N29  1  0.209  0.800  0.347  1.0
  N  N30  1  0.756  0.777  0.427  1.0
  N  N31  1  0.225  0.868  0.800  1.0
  N  N32  1  0.498  0.517  0.481  1.0
  N  N33  1  0.739  0.805  0.781  1.0
  N  N34  1  0.104  0.670  0.662  1.0
  N  N35  1  0.997  0.485  0.507  1.0
  N  N36  1  0.738  0.420  0.801  1.0
  N  N37  1  0.223  0.339  0.862  1.0
  O  O38  1  0.507  1.000  0.001  1.0
[/CIF]
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