The material described by Sr3Sc2N4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted SrN4 trigonal pyramids that share corners with four equivalent Sr(2)N6 octahedra, corners with six equivalent Sc(1)N4 tetrahedra,  an edgeedge with one Sr(2)N6 octahedra,  an edgeedge with one Sc(1)N4 tetrahedra, and edges with two equivalent Sr(1)N4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 19-71°. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted SrN6 octahedra that share corners with four equivalent Sc(1)N4 tetrahedra, corners with eight equivalent Sr(1)N4 trigonal pyramids, edges with two equivalent Sr(2)N6 octahedra, edges with four equivalent Sc(1)N4 tetrahedra, and edges with two equivalent Sr(1)N4 trigonal pyramids. Sc(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form ScN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with two equivalent Sc(1)N4 tetrahedra, corners with six equivalent Sr(1)N4 trigonal pyramids, edges with two equivalent Sr(2)N6 octahedra,  an edgeedge with one Sc(1)N4 tetrahedra, and  an edgeedge with one Sr(1)N4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 35-54°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), and two equivalent Sc(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_Sr3Sc2N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.352
_cell_length_b   9.577
_cell_length_c   6.190
_cell_angle_alpha   90.000
_cell_angle_beta   92.316
_cell_angle_gamma   130.643
_symmetry_Int_Tables_number   1
_cell_volume   330.283
_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
  Sr  Sr0  1  0.225  0.953  0.068  1.0
  Sr  Sr1  1  0.775  0.728  0.432  1.0
  Sr  Sr2  1  0.775  0.047  0.932  1.0
  Sr  Sr3  1  0.225  0.272  0.568  1.0
  Sr  Sr4  1  0.000  0.596  0.750  1.0
  Sr  Sr5  1  0.000  0.404  0.250  1.0
  Sc  Sc6  1  0.567  0.171  0.588  1.0
  Sc  Sc7  1  0.433  0.604  0.912  1.0
  Sc  Sc8  1  0.433  0.829  0.412  1.0
  Sc  Sc9  1  0.567  0.396  0.088  1.0
  N  N10  1  0.231  0.909  0.506  1.0
  N  N11  1  0.769  0.679  0.994  1.0
  N  N12  1  0.769  0.091  0.494  1.0
  N  N13  1  0.231  0.321  0.006  1.0
  N  N14  1  0.651  0.252  0.921  1.0
  N  N15  1  0.349  0.601  0.579  1.0
  N  N16  1  0.349  0.748  0.079  1.0
  N  N17  1  0.651  0.399  0.421  1.0
[/CIF]
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The material described by Sr3Sc2N4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form distorted SrN4 trigonal pyramids that share corners with four equivalent Sr(2)N6 octahedra, corners with six equivalent Sc(1)N4 tetrahedra,  an edgeedge with one Sr(2)N6 octahedra,  an edgeedge with one Sc(1)N4 tetrahedra, and edges with two equivalent Sr(1)N4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 19-71°. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted SrN6 octahedra that share corners with four equivalent Sc(1)N4 tetrahedra, corners with eight equivalent Sr(1)N4 trigonal pyramids, edges with two equivalent Sr(2)N6 octahedra, edges with four equivalent Sc(1)N4 tetrahedra, and edges with two equivalent Sr(1)N4 trigonal pyramids. Sc(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form ScN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with two equivalent Sc(1)N4 tetrahedra, corners with six equivalent Sr(1)N4 trigonal pyramids, edges with two equivalent Sr(2)N6 octahedra,  an edgeedge with one Sc(1)N4 tetrahedra, and  an edgeedge with one Sr(1)N4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 35-54°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), and two equivalent Sc(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Sc(1) atoms. is represented by the CIF file [CIF]
data_Sr3Sc2N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.352
_cell_length_b   9.577
_cell_length_c   6.190
_cell_angle_alpha   90.000
_cell_angle_beta   92.316
_cell_angle_gamma   130.643
_symmetry_Int_Tables_number   1
_cell_volume   330.283
_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
  Sr  Sr0  1  0.225  0.953  0.068  1.0
  Sr  Sr1  1  0.775  0.728  0.432  1.0
  Sr  Sr2  1  0.775  0.047  0.932  1.0
  Sr  Sr3  1  0.225  0.272  0.568  1.0
  Sr  Sr4  1  0.000  0.596  0.750  1.0
  Sr  Sr5  1  0.000  0.404  0.250  1.0
  Sc  Sc6  1  0.567  0.171  0.588  1.0
  Sc  Sc7  1  0.433  0.604  0.912  1.0
  Sc  Sc8  1  0.433  0.829  0.412  1.0
  Sc  Sc9  1  0.567  0.396  0.088  1.0
  N  N10  1  0.231  0.909  0.506  1.0
  N  N11  1  0.769  0.679  0.994  1.0
  N  N12  1  0.769  0.091  0.494  1.0
  N  N13  1  0.231  0.321  0.006  1.0
  N  N14  1  0.651  0.252  0.921  1.0
  N  N15  1  0.349  0.601  0.579  1.0
  N  N16  1  0.349  0.748  0.079  1.0
  N  N17  1  0.651  0.399  0.421  1.0
[/CIF]
.