The material described by BaYbAl2SiN5O2 crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 8-coordinate geometry to one N(4), one N(5), two equivalent N(2), two equivalent N(3), one O(1), and one O(2) atom. Yb(1) is bonded to one N(2), one N(3), one N(4), one O(1), and one O(2) atom to form distorted YbN3O2 square pyramids that share  a cornercorner with one Al(1)N3O tetrahedra, corners with three equivalent Si(1)N3O tetrahedra, and  an edgeedge with one Al(1)N3O tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one N(1), one N(3), one N(4), and one O(1) atom to form distorted AlN3O tetrahedra that share  a cornercorner with one Yb(1)N3O2 square pyramid, corners with two equivalent Si(1)N3O tetrahedra, and  an edgeedge with one Yb(1)N3O2 square pyramid. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(4), and one O(2) atom. Si(1) is bonded to one N(1), one N(2), one N(3), and one O(2) atom to form distorted SiN3O tetrahedra that share corners with three equivalent Yb(1)N3O2 square pyramids and corners with two equivalent Al(1)N3O tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted tetrahedral geometry to one Al(1), one Al(2), one Si(1), and one N(5) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Yb(1), one Al(2), and one Si(1) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Yb(1), one Al(1), and one Si(1) atom. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Al(1), and one Al(2) atom. In the fifth N site, N(5) is bonded in a 1-coordinate geometry to one Ba(1), one N(1), and one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Yb(1), one Al(1), and one N(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Al(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_BaYbAl2SiN5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.271
_cell_length_b   6.352
_cell_length_c   9.204
_cell_angle_alpha   84.765
_cell_angle_beta   100.651
_cell_angle_gamma   119.578
_symmetry_Int_Tables_number   1
_cell_volume   313.390
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.396  0.703  0.187  1.0
  Ba  Ba1  1  0.693  0.297  0.687  1.0
  Yb  Yb2  1  0.320  0.691  0.819  1.0
  Yb  Yb3  1  0.629  0.309  0.319  1.0
  Al  Al4  1  0.164  0.829  0.460  1.0
  Al  Al5  1  0.122  0.329  0.435  1.0
  Al  Al6  1  0.334  0.171  0.960  1.0
  Al  Al7  1  0.793  0.671  0.935  1.0
  Si  Si8  1  0.630  0.770  0.547  1.0
  Si  Si9  1  0.860  0.230  0.047  1.0
  N  N10  1  0.001  0.007  0.029  1.0
  N  N11  1  0.982  0.506  0.957  1.0
  N  N12  1  0.551  0.045  0.991  1.0
  N  N13  1  0.485  0.491  0.988  1.0
  N  N14  1  0.476  0.494  0.457  1.0
  N  N15  1  0.968  0.882  0.165  1.0
  N  N16  1  0.506  0.955  0.491  1.0
  N  N17  1  0.994  0.993  0.529  1.0
  N  N18  1  0.994  0.509  0.488  1.0
  N  N19  1  0.086  0.118  0.665  1.0
  O  O20  1  0.185  0.978  0.268  1.0
  O  O21  1  0.947  0.272  0.233  1.0
  O  O22  1  0.207  0.022  0.768  1.0
  O  O23  1  0.675  0.728  0.733  1.0
[/CIF]
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The material described by BaYbAl2SiN5O2 crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 8-coordinate geometry to one N(4), one N(5), two equivalent N(2), two equivalent N(3), one O(1), and one O(2) atom. Yb(1) is bonded to one N(2), one N(3), one N(4), one O(1), and one O(2) atom to form distorted YbN3O2 square pyramids that share  a cornercorner with one Al(1)N3O tetrahedra, corners with three equivalent Si(1)N3O tetrahedra, and  an edgeedge with one Al(1)N3O tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one N(1), one N(3), one N(4), and one O(1) atom to form distorted AlN3O tetrahedra that share  a cornercorner with one Yb(1)N3O2 square pyramid, corners with two equivalent Si(1)N3O tetrahedra, and  an edgeedge with one Yb(1)N3O2 square pyramid. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one N(1), one N(2), one N(4), and one O(2) atom. Si(1) is bonded to one N(1), one N(2), one N(3), and one O(2) atom to form distorted SiN3O tetrahedra that share corners with three equivalent Yb(1)N3O2 square pyramids and corners with two equivalent Al(1)N3O tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted tetrahedral geometry to one Al(1), one Al(2), one Si(1), and one N(5) atom. In the second N site, N(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Yb(1), one Al(2), and one Si(1) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Yb(1), one Al(1), and one Si(1) atom. In the fourth N site, N(4) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Al(1), and one Al(2) atom. In the fifth N site, N(5) is bonded in a 1-coordinate geometry to one Ba(1), one N(1), and one O(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Yb(1), one Al(1), and one N(5) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Yb(1), one Al(2), and one Si(1) atom. is represented by the CIF file [CIF]
data_BaYbAl2SiN5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.271
_cell_length_b   6.352
_cell_length_c   9.204
_cell_angle_alpha   84.765
_cell_angle_beta   100.651
_cell_angle_gamma   119.578
_symmetry_Int_Tables_number   1
_cell_volume   313.390
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.396  0.703  0.187  1.0
  Ba  Ba1  1  0.693  0.297  0.687  1.0
  Yb  Yb2  1  0.320  0.691  0.819  1.0
  Yb  Yb3  1  0.629  0.309  0.319  1.0
  Al  Al4  1  0.164  0.829  0.460  1.0
  Al  Al5  1  0.122  0.329  0.435  1.0
  Al  Al6  1  0.334  0.171  0.960  1.0
  Al  Al7  1  0.793  0.671  0.935  1.0
  Si  Si8  1  0.630  0.770  0.547  1.0
  Si  Si9  1  0.860  0.230  0.047  1.0
  N  N10  1  0.001  0.007  0.029  1.0
  N  N11  1  0.982  0.506  0.957  1.0
  N  N12  1  0.551  0.045  0.991  1.0
  N  N13  1  0.485  0.491  0.988  1.0
  N  N14  1  0.476  0.494  0.457  1.0
  N  N15  1  0.968  0.882  0.165  1.0
  N  N16  1  0.506  0.955  0.491  1.0
  N  N17  1  0.994  0.993  0.529  1.0
  N  N18  1  0.994  0.509  0.488  1.0
  N  N19  1  0.086  0.118  0.665  1.0
  O  O20  1  0.185  0.978  0.268  1.0
  O  O21  1  0.947  0.272  0.233  1.0
  O  O22  1  0.207  0.022  0.768  1.0
  O  O23  1  0.675  0.728  0.733  1.0
[/CIF]
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