The material described by SrReN3 is Esseneite-derived structured and 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 8-coordinate geometry to two equivalent N(1), two equivalent N(2), and four equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form SrN6 octahedra that share corners with six equivalent Re(1)N4 tetrahedra and edges with two equivalent Sr(2)N6 octahedra. Re(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form ReN4 tetrahedra that share corners with three equivalent Sr(2)N6 octahedra and corners with two equivalent Re(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-67°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), two equivalent Sr(2), and one Re(1) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Sr(1), one Sr(2), and one Re(1) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_SrReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.578
_cell_length_b   7.578
_cell_length_c   6.188
_cell_angle_alpha   78.220
_cell_angle_beta   78.220
_cell_angle_gamma   86.987
_symmetry_Int_Tables_number   1
_cell_volume   340.571
_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  0.318  0.682  0.250  1.0
  Sr  Sr1  1  0.908  0.092  0.250  1.0
  Sr  Sr2  1  0.092  0.908  0.750  1.0
  Sr  Sr3  1  0.682  0.318  0.750  1.0
  Re  Re4  1  0.797  0.624  0.247  1.0
  Re  Re5  1  0.376  0.203  0.253  1.0
  Re  Re6  1  0.624  0.797  0.747  1.0
  Re  Re7  1  0.203  0.376  0.753  1.0
  N  N8  1  0.768  0.985  0.666  1.0
  N  N9  1  0.129  0.595  0.665  1.0
  N  N10  1  0.325  0.366  0.996  1.0
  N  N11  1  0.595  0.129  0.165  1.0
  N  N12  1  0.871  0.405  0.335  1.0
  N  N13  1  0.232  0.015  0.334  1.0
  N  N14  1  0.985  0.768  0.166  1.0
  N  N15  1  0.366  0.325  0.496  1.0
  N  N16  1  0.634  0.675  0.504  1.0
  N  N17  1  0.015  0.232  0.834  1.0
  N  N18  1  0.405  0.871  0.835  1.0
  N  N19  1  0.675  0.634  0.004  1.0
[/CIF]
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The material described by SrReN3 is Esseneite-derived structured and 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 8-coordinate geometry to two equivalent N(1), two equivalent N(2), and four equivalent N(3) atoms. In the second Sr site, Sr(2) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form SrN6 octahedra that share corners with six equivalent Re(1)N4 tetrahedra and edges with two equivalent Sr(2)N6 octahedra. Re(1) is bonded to one N(1), one N(2), and two equivalent N(3) atoms to form ReN4 tetrahedra that share corners with three equivalent Sr(2)N6 octahedra and corners with two equivalent Re(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-67°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), two equivalent Sr(2), and one Re(1) atom. In the second N site, N(2) is bonded in a distorted T-shaped geometry to one Sr(1), one Sr(2), and one Re(1) atom. In the third N site, N(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Re(1) atoms. is represented by the CIF file [CIF]
data_SrReN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.578
_cell_length_b   7.578
_cell_length_c   6.188
_cell_angle_alpha   78.220
_cell_angle_beta   78.220
_cell_angle_gamma   86.987
_symmetry_Int_Tables_number   1
_cell_volume   340.571
_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  0.318  0.682  0.250  1.0
  Sr  Sr1  1  0.908  0.092  0.250  1.0
  Sr  Sr2  1  0.092  0.908  0.750  1.0
  Sr  Sr3  1  0.682  0.318  0.750  1.0
  Re  Re4  1  0.797  0.624  0.247  1.0
  Re  Re5  1  0.376  0.203  0.253  1.0
  Re  Re6  1  0.624  0.797  0.747  1.0
  Re  Re7  1  0.203  0.376  0.753  1.0
  N  N8  1  0.768  0.985  0.666  1.0
  N  N9  1  0.129  0.595  0.665  1.0
  N  N10  1  0.325  0.366  0.996  1.0
  N  N11  1  0.595  0.129  0.165  1.0
  N  N12  1  0.871  0.405  0.335  1.0
  N  N13  1  0.232  0.015  0.334  1.0
  N  N14  1  0.985  0.768  0.166  1.0
  N  N15  1  0.366  0.325  0.496  1.0
  N  N16  1  0.634  0.675  0.504  1.0
  N  N17  1  0.015  0.232  0.834  1.0
  N  N18  1  0.405  0.871  0.835  1.0
  N  N19  1  0.675  0.634  0.004  1.0
[/CIF]
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