The compound described by Sr2ReN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(3), and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded to one N(1), one N(4), two equivalent N(2), and three equivalent N(3) atoms to form distorted SrN7 pentagonal bipyramids that share corners with four equivalent Sr(2)N7 pentagonal bipyramids,  a cornercorner with one Re(1)N4 tetrahedra, edges with three equivalent Sr(2)N7 pentagonal bipyramids, and edges with four equivalent Re(1)N4 tetrahedra. Re(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted ReN4 tetrahedra that share  a cornercorner with one Sr(2)N7 pentagonal bipyramid, corners with two equivalent Re(1)N4 tetrahedra, and edges with four equivalent Sr(2)N7 pentagonal bipyramids. There are four inequivalent N sites. In the first N site, N(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Re(1) atoms to form distorted NSr4Re2 octahedra that share corners with four equivalent N(3)Sr5Re octahedra, edges with three equivalent N(1)Sr4Re2 octahedra, and edges with four equivalent N(3)Sr5Re octahedra. The corner-sharing octahedral tilt angles range from 23-64°. In the second N site, N(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Re(1) atoms to form NSr4Re2 octahedra that share corners with six equivalent N(3)Sr5Re octahedra, edges with three equivalent N(4)Sr4Re2 octahedra, and faces with two equivalent N(3)Sr5Re octahedra. The corner-sharing octahedral tilt angles range from 36-60°. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), three equivalent Sr(1), and one Re(1) atom. In the fourth N site, N(3) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Re(1) atom to form distorted NSr5Re octahedra that share corners with two equivalent N(4)Sr4Re2 octahedra, corners with two equivalent N(3)Sr5Re octahedra, corners with three equivalent N(1)Sr4Re2 octahedra, edges with two equivalent N(4)Sr4Re2 octahedra, edges with three equivalent N(3)Sr5Re octahedra, and  a faceface with one N(1)Sr4Re2 octahedra. The corner-sharing octahedral tilt angles range from 19-64°. is represented by the CIF file [CIF]
data_Sr2ReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.293
_cell_length_b   6.293
_cell_length_c   12.521
_cell_angle_alpha   87.567
_cell_angle_beta   87.567
_cell_angle_gamma   128.523
_symmetry_Int_Tables_number   1
_cell_volume   386.098
_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
  Sr  Sr0  1  0.981  0.581  0.356  1.0
  Sr  Sr1  1  0.419  0.019  0.144  1.0
  Sr  Sr2  1  0.019  0.419  0.644  1.0
  Sr  Sr3  1  0.581  0.981  0.856  1.0
  Sr  Sr4  1  0.124  0.347  0.076  1.0
  Sr  Sr5  1  0.653  0.876  0.424  1.0
  Sr  Sr6  1  0.876  0.653  0.924  1.0
  Sr  Sr7  1  0.347  0.124  0.576  1.0
  Re  Re8  1  0.714  0.707  0.173  1.0
  Re  Re9  1  0.293  0.286  0.327  1.0
  Re  Re10  1  0.286  0.293  0.827  1.0
  Re  Re11  1  0.707  0.714  0.673  1.0
  N  N12  1  0.374  0.626  0.250  1.0
  N  N13  1  0.626  0.374  0.750  1.0
  N  N14  1  0.863  0.541  0.129  1.0
  N  N15  1  0.459  0.137  0.371  1.0
  N  N16  1  0.137  0.459  0.871  1.0
  N  N17  1  0.541  0.863  0.629  1.0
  N  N18  1  0.826  0.655  0.548  1.0
  N  N19  1  0.345  0.174  0.952  1.0
  N  N20  1  0.174  0.345  0.452  1.0
  N  N21  1  0.655  0.826  0.048  1.0
  N  N22  1  0.002  0.998  0.250  1.0
  N  N23  1  0.998  0.002  0.750  1.0
[/CIF]
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The compound described by Sr2ReN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(3), and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded to one N(1), one N(4), two equivalent N(2), and three equivalent N(3) atoms to form distorted SrN7 pentagonal bipyramids that share corners with four equivalent Sr(2)N7 pentagonal bipyramids,  a cornercorner with one Re(1)N4 tetrahedra, edges with three equivalent Sr(2)N7 pentagonal bipyramids, and edges with four equivalent Re(1)N4 tetrahedra. Re(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted ReN4 tetrahedra that share  a cornercorner with one Sr(2)N7 pentagonal bipyramid, corners with two equivalent Re(1)N4 tetrahedra, and edges with four equivalent Sr(2)N7 pentagonal bipyramids. There are four inequivalent N sites. In the first N site, N(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Re(1) atoms to form distorted NSr4Re2 octahedra that share corners with four equivalent N(3)Sr5Re octahedra, edges with three equivalent N(1)Sr4Re2 octahedra, and edges with four equivalent N(3)Sr5Re octahedra. The corner-sharing octahedral tilt angles range from 23-64°. In the second N site, N(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Re(1) atoms to form NSr4Re2 octahedra that share corners with six equivalent N(3)Sr5Re octahedra, edges with three equivalent N(4)Sr4Re2 octahedra, and faces with two equivalent N(3)Sr5Re octahedra. The corner-sharing octahedral tilt angles range from 36-60°. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), three equivalent Sr(1), and one Re(1) atom. In the fourth N site, N(3) is bonded to two equivalent Sr(1), three equivalent Sr(2), and one Re(1) atom to form distorted NSr5Re octahedra that share corners with two equivalent N(4)Sr4Re2 octahedra, corners with two equivalent N(3)Sr5Re octahedra, corners with three equivalent N(1)Sr4Re2 octahedra, edges with two equivalent N(4)Sr4Re2 octahedra, edges with three equivalent N(3)Sr5Re octahedra, and  a faceface with one N(1)Sr4Re2 octahedra. The corner-sharing octahedral tilt angles range from 19-64°. is represented by the CIF file [CIF]
data_Sr2ReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.293
_cell_length_b   6.293
_cell_length_c   12.521
_cell_angle_alpha   87.567
_cell_angle_beta   87.567
_cell_angle_gamma   128.523
_symmetry_Int_Tables_number   1
_cell_volume   386.098
_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
  Sr  Sr0  1  0.981  0.581  0.356  1.0
  Sr  Sr1  1  0.419  0.019  0.144  1.0
  Sr  Sr2  1  0.019  0.419  0.644  1.0
  Sr  Sr3  1  0.581  0.981  0.856  1.0
  Sr  Sr4  1  0.124  0.347  0.076  1.0
  Sr  Sr5  1  0.653  0.876  0.424  1.0
  Sr  Sr6  1  0.876  0.653  0.924  1.0
  Sr  Sr7  1  0.347  0.124  0.576  1.0
  Re  Re8  1  0.714  0.707  0.173  1.0
  Re  Re9  1  0.293  0.286  0.327  1.0
  Re  Re10  1  0.286  0.293  0.827  1.0
  Re  Re11  1  0.707  0.714  0.673  1.0
  N  N12  1  0.374  0.626  0.250  1.0
  N  N13  1  0.626  0.374  0.750  1.0
  N  N14  1  0.863  0.541  0.129  1.0
  N  N15  1  0.459  0.137  0.371  1.0
  N  N16  1  0.137  0.459  0.871  1.0
  N  N17  1  0.541  0.863  0.629  1.0
  N  N18  1  0.826  0.655  0.548  1.0
  N  N19  1  0.345  0.174  0.952  1.0
  N  N20  1  0.174  0.345  0.452  1.0
  N  N21  1  0.655  0.826  0.048  1.0
  N  N22  1  0.002  0.998  0.250  1.0
  N  N23  1  0.998  0.002  0.750  1.0
[/CIF]
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