The crystal structure described by Sr3ScN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. Sc(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to five equivalent Sr(1) and one Sc(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3ScN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.988
_cell_length_b   7.988
_cell_length_c   5.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   297.691
_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  0.930  0.658  0.250  1.0
  Sr  Sr1  1  0.728  0.070  0.250  1.0
  Sr  Sr2  1  0.342  0.272  0.250  1.0
  Sr  Sr3  1  0.070  0.342  0.750  1.0
  Sr  Sr4  1  0.272  0.930  0.750  1.0
  Sr  Sr5  1  0.658  0.728  0.750  1.0
  Sc  Sc6  1  0.667  0.333  0.750  1.0
  Sc  Sc7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.903  0.610  0.750  1.0
  N  N9  1  0.707  0.097  0.750  1.0
  N  N10  1  0.390  0.293  0.750  1.0
  N  N11  1  0.097  0.390  0.250  1.0
  N  N12  1  0.293  0.903  0.250  1.0
  N  N13  1  0.610  0.707  0.250  1.0
[/CIF]
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The crystal structure described by Sr3ScN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded to five equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. Sc(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to five equivalent Sr(1) and one Sc(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3ScN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.988
_cell_length_b   7.988
_cell_length_c   5.388
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   297.691
_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  0.930  0.658  0.250  1.0
  Sr  Sr1  1  0.728  0.070  0.250  1.0
  Sr  Sr2  1  0.342  0.272  0.250  1.0
  Sr  Sr3  1  0.070  0.342  0.750  1.0
  Sr  Sr4  1  0.272  0.930  0.750  1.0
  Sr  Sr5  1  0.658  0.728  0.750  1.0
  Sc  Sc6  1  0.667  0.333  0.750  1.0
  Sc  Sc7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.903  0.610  0.750  1.0
  N  N9  1  0.707  0.097  0.750  1.0
  N  N10  1  0.390  0.293  0.750  1.0
  N  N11  1  0.097  0.390  0.250  1.0
  N  N12  1  0.293  0.903  0.250  1.0
  N  N13  1  0.610  0.707  0.250  1.0
[/CIF]
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