The material structure described by ScWN3 crystallizes in the triclinic P-1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one N(1), one N(5), two equivalent N(4), and two equivalent N(6) atoms. In the second Sc site, Sc(2) is bonded to one N(2), one N(3), one N(4), one N(5), and one N(6) atom to form distorted ScN5 square pyramids that share corners with two equivalent W(1)N5 trigonal bipyramids, corners with two equivalent W(2)N5 trigonal bipyramids,  an edgeedge with one W(1)N5 trigonal bipyramid, and  an edgeedge with one W(2)N5 trigonal bipyramid. There are two inequivalent W sites. In the first W site, W(1) is bonded to one N(1), one N(3), one N(5), and two equivalent N(2) atoms to form distorted WN5 trigonal bipyramids that share corners with two equivalent Sc(2)N5 square pyramids,  a cornercorner with one W(2)N5 trigonal bipyramid,  an edgeedge with one Sc(2)N5 square pyramid,  an edgeedge with one W(1)N5 trigonal bipyramid, and  an edgeedge with one W(2)N5 trigonal bipyramid. In the second W site, W(2) is bonded to one N(1), one N(3), one N(4), one N(5), and one N(6) atom to form WN5 trigonal bipyramids that share corners with two equivalent Sc(2)N5 square pyramids,  a cornercorner with one W(1)N5 trigonal bipyramid,  an edgeedge with one Sc(2)N5 square pyramid, and  an edgeedge with one W(1)N5 trigonal bipyramid. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one Sc(1), one W(1), and one W(2) atom. In the second N site, N(2) is bonded in a T-shaped geometry to one Sc(2) and two equivalent W(1) atoms. In the third N site, N(3) is bonded in a T-shaped geometry to one Sc(2), one W(1), and one W(2) atom. In the fourth N site, N(4) is bonded in a distorted rectangular see-saw-like geometry to one Sc(2), two equivalent Sc(1), and one W(2) atom. In the fifth N site, N(5) is bonded in a rectangular see-saw-like geometry to one Sc(1), one Sc(2), one W(1), and one W(2) atom. In the sixth N site, N(6) is bonded in a rectangular see-saw-like geometry to one Sc(2), two equivalent Sc(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   6.751
_cell_length_c   8.712
_cell_angle_alpha   89.936
_cell_angle_beta   105.722
_cell_angle_gamma   96.110
_symmetry_Int_Tables_number   1
_cell_volume   321.097
_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
  Sc  Sc0  1  0.241  0.444  0.397  1.0
  Sc  Sc1  1  0.759  0.556  0.603  1.0
  Sc  Sc2  1  0.819  0.716  0.253  1.0
  Sc  Sc3  1  0.181  0.284  0.747  1.0
  W  W4  1  0.008  0.128  0.137  1.0
  W  W5  1  0.992  0.872  0.863  1.0
  W  W6  1  0.689  0.264  0.326  1.0
  W  W7  1  0.311  0.736  0.674  1.0
  N  N8  1  0.318  0.177  0.277  1.0
  N  N9  1  0.682  0.823  0.723  1.0
  N  N10  1  0.000  0.829  0.076  1.0
  N  N11  1  1.000  0.171  0.924  1.0
  N  N12  1  0.740  0.013  0.235  1.0
  N  N13  1  0.260  0.987  0.765  1.0
  N  N14  1  0.105  0.720  0.469  1.0
  N  N15  1  0.895  0.280  0.531  1.0
  N  N16  1  0.900  0.392  0.204  1.0
  N  N17  1  0.100  0.608  0.796  1.0
  N  N18  1  0.578  0.538  0.355  1.0
  N  N19  1  0.422  0.462  0.645  1.0
[/CIF]
.
The material structure described by ScWN3 crystallizes in the triclinic P-1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one N(1), one N(5), two equivalent N(4), and two equivalent N(6) atoms. In the second Sc site, Sc(2) is bonded to one N(2), one N(3), one N(4), one N(5), and one N(6) atom to form distorted ScN5 square pyramids that share corners with two equivalent W(1)N5 trigonal bipyramids, corners with two equivalent W(2)N5 trigonal bipyramids,  an edgeedge with one W(1)N5 trigonal bipyramid, and  an edgeedge with one W(2)N5 trigonal bipyramid. There are two inequivalent W sites. In the first W site, W(1) is bonded to one N(1), one N(3), one N(5), and two equivalent N(2) atoms to form distorted WN5 trigonal bipyramids that share corners with two equivalent Sc(2)N5 square pyramids,  a cornercorner with one W(2)N5 trigonal bipyramid,  an edgeedge with one Sc(2)N5 square pyramid,  an edgeedge with one W(1)N5 trigonal bipyramid, and  an edgeedge with one W(2)N5 trigonal bipyramid. In the second W site, W(2) is bonded to one N(1), one N(3), one N(4), one N(5), and one N(6) atom to form WN5 trigonal bipyramids that share corners with two equivalent Sc(2)N5 square pyramids,  a cornercorner with one W(1)N5 trigonal bipyramid,  an edgeedge with one Sc(2)N5 square pyramid, and  an edgeedge with one W(1)N5 trigonal bipyramid. There are six inequivalent N sites. In the first N site, N(1) is bonded in a T-shaped geometry to one Sc(1), one W(1), and one W(2) atom. In the second N site, N(2) is bonded in a T-shaped geometry to one Sc(2) and two equivalent W(1) atoms. In the third N site, N(3) is bonded in a T-shaped geometry to one Sc(2), one W(1), and one W(2) atom. In the fourth N site, N(4) is bonded in a distorted rectangular see-saw-like geometry to one Sc(2), two equivalent Sc(1), and one W(2) atom. In the fifth N site, N(5) is bonded in a rectangular see-saw-like geometry to one Sc(1), one Sc(2), one W(1), and one W(2) atom. In the sixth N site, N(6) is bonded in a rectangular see-saw-like geometry to one Sc(2), two equivalent Sc(1), and one W(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   6.751
_cell_length_c   8.712
_cell_angle_alpha   89.936
_cell_angle_beta   105.722
_cell_angle_gamma   96.110
_symmetry_Int_Tables_number   1
_cell_volume   321.097
_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
  Sc  Sc0  1  0.241  0.444  0.397  1.0
  Sc  Sc1  1  0.759  0.556  0.603  1.0
  Sc  Sc2  1  0.819  0.716  0.253  1.0
  Sc  Sc3  1  0.181  0.284  0.747  1.0
  W  W4  1  0.008  0.128  0.137  1.0
  W  W5  1  0.992  0.872  0.863  1.0
  W  W6  1  0.689  0.264  0.326  1.0
  W  W7  1  0.311  0.736  0.674  1.0
  N  N8  1  0.318  0.177  0.277  1.0
  N  N9  1  0.682  0.823  0.723  1.0
  N  N10  1  0.000  0.829  0.076  1.0
  N  N11  1  1.000  0.171  0.924  1.0
  N  N12  1  0.740  0.013  0.235  1.0
  N  N13  1  0.260  0.987  0.765  1.0
  N  N14  1  0.105  0.720  0.469  1.0
  N  N15  1  0.895  0.280  0.531  1.0
  N  N16  1  0.900  0.392  0.204  1.0
  N  N17  1  0.100  0.608  0.796  1.0
  N  N18  1  0.578  0.538  0.355  1.0
  N  N19  1  0.422  0.462  0.645  1.0
[/CIF]
.