The compound described by Sr3CuN3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), one N(3), and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded to one N(1), one N(3), and three equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. In the third Sr site, Sr(3) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. Cu(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Sr(2), one Sr(3), three equivalent Sr(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°. In the second N site, N(2) is bonded to one Sr(1), one Sr(3), three equivalent Sr(2), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), three equivalent Sr(3), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°. is represented by the CIF card [CIF]
data_Sr3CuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.576
_cell_length_b   7.574
_cell_length_c   5.386
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   267.666
_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  0.924  0.639  0.250  1.0
  Sr  Sr1  1  0.714  0.076  0.250  1.0
  Sr  Sr2  1  0.361  0.285  0.250  1.0
  Sr  Sr3  1  0.076  0.361  0.750  1.0
  Sr  Sr4  1  0.286  0.924  0.750  1.0
  Sr  Sr5  1  0.639  0.715  0.750  1.0
  Cu  Cu6  1  0.666  0.333  0.750  1.0
  Cu  Cu7  1  0.334  0.667  0.250  1.0
  N  N8  1  0.902  0.595  0.750  1.0
  N  N9  1  0.694  0.098  0.750  1.0
  N  N10  1  0.404  0.306  0.750  1.0
  N  N11  1  0.098  0.405  0.250  1.0
  N  N12  1  0.306  0.902  0.250  1.0
  N  N13  1  0.596  0.694  0.250  1.0
[/CIF]
.
The compound described by Sr3CuN3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one N(2), one N(3), and three equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded to one N(1), one N(3), and three equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. In the third Sr site, Sr(3) is bonded to one N(1), one N(2), and three equivalent N(3) atoms to form a mixture of distorted corner and edge-sharing SrN5 trigonal bipyramids. Cu(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Sr(2), one Sr(3), three equivalent Sr(1), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°. In the second N site, N(2) is bonded to one Sr(1), one Sr(3), three equivalent Sr(2), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), three equivalent Sr(3), and one Cu(1) atom to form a mixture of distorted corner and edge-sharing NSr5Cu octahedra. The corner-sharing octahedral tilt angles range from 12-50°. is represented by the CIF card [CIF]
data_Sr3CuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.576
_cell_length_b   7.574
_cell_length_c   5.386
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.996
_symmetry_Int_Tables_number   1
_cell_volume   267.666
_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  0.924  0.639  0.250  1.0
  Sr  Sr1  1  0.714  0.076  0.250  1.0
  Sr  Sr2  1  0.361  0.285  0.250  1.0
  Sr  Sr3  1  0.076  0.361  0.750  1.0
  Sr  Sr4  1  0.286  0.924  0.750  1.0
  Sr  Sr5  1  0.639  0.715  0.750  1.0
  Cu  Cu6  1  0.666  0.333  0.750  1.0
  Cu  Cu7  1  0.334  0.667  0.250  1.0
  N  N8  1  0.902  0.595  0.750  1.0
  N  N9  1  0.694  0.098  0.750  1.0
  N  N10  1  0.404  0.306  0.750  1.0
  N  N11  1  0.098  0.405  0.250  1.0
  N  N12  1  0.306  0.902  0.250  1.0
  N  N13  1  0.596  0.694  0.250  1.0
[/CIF]
.