The material described by WAlN3 crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form distorted WN4 tetrahedra that share  a cornercorner with one W(2)N4 tetrahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 trigonal pyramid, and  an edgeedge with one W(1)N4 tetrahedra. In the second W site, W(2) is bonded to one N(1), one N(4), one N(5), and one N(6) atom to form WN4 tetrahedra that share  a cornercorner with one W(1)N4 tetrahedra, corners with four equivalent Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 trigonal pyramid, and  an edgeedge with one Al(2)N4 trigonal pyramid. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one N(1), one N(4), one N(5), and one N(6) atom to form AlN4 tetrahedra that share  a cornercorner with one W(1)N4 tetrahedra, corners with four equivalent W(2)N4 tetrahedra, and corners with three equivalent Al(2)N4 trigonal pyramids. In the second Al site, Al(2) is bonded to one N(3), one N(4), one N(5), and one N(6) atom to form distorted AlN4 trigonal pyramids that share  a cornercorner with one W(1)N4 tetrahedra,  a cornercorner with one W(2)N4 tetrahedra, corners with three equivalent Al(1)N4 tetrahedra, and  an edgeedge with one W(2)N4 tetrahedra. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Al(1) atom. In the second N site, N(2) is bonded in an L-shaped geometry to two equivalent W(1) atoms. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one W(1) and one Al(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one W(2), one Al(1), and one Al(2) atom. In the fifth N site, N(5) is bonded in a distorted trigonal non-coplanar geometry to one W(2), one Al(1), and one Al(2) atom. In the sixth N site, N(6) is bonded in a distorted T-shaped geometry to one W(2), one Al(1), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.041
_cell_length_b   5.536
_cell_length_c   11.221
_cell_angle_alpha   96.050
_cell_angle_beta   114.792
_cell_angle_gamma   92.221
_symmetry_Int_Tables_number   1
_cell_volume   337.377
_cell_formula_units_Z   4
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
  Al  Al0  1  0.175  0.155  0.416  1.0
  Al  Al1  1  0.825  0.845  0.584  1.0
  Al  Al2  1  0.900  0.639  0.319  1.0
  Al  Al3  1  0.100  0.361  0.681  1.0
  W  W4  1  0.045  0.995  0.131  1.0
  W  W5  1  0.955  0.005  0.869  1.0
  W  W6  1  0.660  0.298  0.387  1.0
  W  W7  1  0.340  0.702  0.613  1.0
  N  N8  1  0.327  0.160  0.297  1.0
  N  N9  1  0.673  0.840  0.703  1.0
  N  N10  1  0.152  0.837  0.012  1.0
  N  N11  1  0.848  0.163  0.988  1.0
  N  N12  1  0.877  0.781  0.178  1.0
  N  N13  1  0.123  0.219  0.822  1.0
  N  N14  1  0.172  0.832  0.457  1.0
  N  N15  1  0.828  0.168  0.543  1.0
  N  N16  1  0.880  0.289  0.307  1.0
  N  N17  1  0.120  0.711  0.693  1.0
  N  N18  1  0.689  0.637  0.421  1.0
  N  N19  1  0.311  0.363  0.579  1.0
[/CIF]
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The material described by WAlN3 crystallizes in the triclinic P-1 space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to one N(1), one N(3), and two equivalent N(2) atoms to form distorted WN4 tetrahedra that share  a cornercorner with one W(2)N4 tetrahedra,  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 trigonal pyramid, and  an edgeedge with one W(1)N4 tetrahedra. In the second W site, W(2) is bonded to one N(1), one N(4), one N(5), and one N(6) atom to form WN4 tetrahedra that share  a cornercorner with one W(1)N4 tetrahedra, corners with four equivalent Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 trigonal pyramid, and  an edgeedge with one Al(2)N4 trigonal pyramid. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one N(1), one N(4), one N(5), and one N(6) atom to form AlN4 tetrahedra that share  a cornercorner with one W(1)N4 tetrahedra, corners with four equivalent W(2)N4 tetrahedra, and corners with three equivalent Al(2)N4 trigonal pyramids. In the second Al site, Al(2) is bonded to one N(3), one N(4), one N(5), and one N(6) atom to form distorted AlN4 trigonal pyramids that share  a cornercorner with one W(1)N4 tetrahedra,  a cornercorner with one W(2)N4 tetrahedra, corners with three equivalent Al(1)N4 tetrahedra, and  an edgeedge with one W(2)N4 tetrahedra. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to one W(1), one W(2), and one Al(1) atom. In the second N site, N(2) is bonded in an L-shaped geometry to two equivalent W(1) atoms. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one W(1) and one Al(2) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one W(2), one Al(1), and one Al(2) atom. In the fifth N site, N(5) is bonded in a distorted trigonal non-coplanar geometry to one W(2), one Al(1), and one Al(2) atom. In the sixth N site, N(6) is bonded in a distorted T-shaped geometry to one W(2), one Al(1), and one Al(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.041
_cell_length_b   5.536
_cell_length_c   11.221
_cell_angle_alpha   96.050
_cell_angle_beta   114.792
_cell_angle_gamma   92.221
_symmetry_Int_Tables_number   1
_cell_volume   337.377
_cell_formula_units_Z   4
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
  Al  Al0  1  0.175  0.155  0.416  1.0
  Al  Al1  1  0.825  0.845  0.584  1.0
  Al  Al2  1  0.900  0.639  0.319  1.0
  Al  Al3  1  0.100  0.361  0.681  1.0
  W  W4  1  0.045  0.995  0.131  1.0
  W  W5  1  0.955  0.005  0.869  1.0
  W  W6  1  0.660  0.298  0.387  1.0
  W  W7  1  0.340  0.702  0.613  1.0
  N  N8  1  0.327  0.160  0.297  1.0
  N  N9  1  0.673  0.840  0.703  1.0
  N  N10  1  0.152  0.837  0.012  1.0
  N  N11  1  0.848  0.163  0.988  1.0
  N  N12  1  0.877  0.781  0.178  1.0
  N  N13  1  0.123  0.219  0.822  1.0
  N  N14  1  0.172  0.832  0.457  1.0
  N  N15  1  0.828  0.168  0.543  1.0
  N  N16  1  0.880  0.289  0.307  1.0
  N  N17  1  0.120  0.711  0.693  1.0
  N  N18  1  0.689  0.637  0.421  1.0
  N  N19  1  0.311  0.363  0.579  1.0
[/CIF]
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