The structure described by LiSr2ReN4 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form LiN4 tetrahedra that share corners with four equivalent Re(1)N4 tetrahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one N(2), three equivalent N(3), and four equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one N(3), three equivalent N(2), and four equivalent N(1) atoms. Re(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form ReN4 tetrahedra that share corners with four equivalent Li(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Li(1), two equivalent Sr(1), two equivalent Sr(2), and one Re(1) atom to form a mixture of distorted face, corner, and edge-sharing NSr4LiRe octahedra. The corner-sharing octahedral tilt angles range from 62-73°. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), three equivalent Sr(2), and one Re(1) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), three equivalent Sr(1), and one Re(1) atom. is represented by the CIF file [CIF]
data_Sr2LiReN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   6.205
_cell_length_c   6.941
_cell_angle_alpha   73.643
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.259
_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  0.250  0.262  0.056  1.0
  Sr  Sr1  1  0.750  0.738  0.944  1.0
  Sr  Sr2  1  0.750  0.780  0.431  1.0
  Sr  Sr3  1  0.250  0.220  0.569  1.0
  Li  Li4  1  0.750  0.307  0.309  1.0
  Li  Li5  1  0.250  0.693  0.691  1.0
  Re  Re6  1  0.250  0.718  0.202  1.0
  Re  Re7  1  0.750  0.282  0.798  1.0
  N  N8  1  0.505  0.470  0.748  1.0
  N  N9  1  0.005  0.530  0.252  1.0
  N  N10  1  0.495  0.530  0.252  1.0
  N  N11  1  0.995  0.470  0.748  1.0
  N  N12  1  0.750  0.098  0.628  1.0
  N  N13  1  0.250  0.902  0.372  1.0
  N  N14  1  0.750  0.117  0.064  1.0
  N  N15  1  0.250  0.883  0.936  1.0
[/CIF]
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The structure described by LiSr2ReN4 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form LiN4 tetrahedra that share corners with four equivalent Re(1)N4 tetrahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one N(2), three equivalent N(3), and four equivalent N(1) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one N(3), three equivalent N(2), and four equivalent N(1) atoms. Re(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form ReN4 tetrahedra that share corners with four equivalent Li(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Li(1), two equivalent Sr(1), two equivalent Sr(2), and one Re(1) atom to form a mixture of distorted face, corner, and edge-sharing NSr4LiRe octahedra. The corner-sharing octahedral tilt angles range from 62-73°. In the second N site, N(2) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), three equivalent Sr(2), and one Re(1) atom. In the third N site, N(3) is bonded in a 6-coordinate geometry to one Li(1), one Sr(2), three equivalent Sr(1), and one Re(1) atom. is represented by the CIF file [CIF]
data_Sr2LiReN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   6.205
_cell_length_c   6.941
_cell_angle_alpha   73.643
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   244.259
_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  0.250  0.262  0.056  1.0
  Sr  Sr1  1  0.750  0.738  0.944  1.0
  Sr  Sr2  1  0.750  0.780  0.431  1.0
  Sr  Sr3  1  0.250  0.220  0.569  1.0
  Li  Li4  1  0.750  0.307  0.309  1.0
  Li  Li5  1  0.250  0.693  0.691  1.0
  Re  Re6  1  0.250  0.718  0.202  1.0
  Re  Re7  1  0.750  0.282  0.798  1.0
  N  N8  1  0.505  0.470  0.748  1.0
  N  N9  1  0.005  0.530  0.252  1.0
  N  N10  1  0.495  0.530  0.252  1.0
  N  N11  1  0.995  0.470  0.748  1.0
  N  N12  1  0.750  0.098  0.628  1.0
  N  N13  1  0.250  0.902  0.372  1.0
  N  N14  1  0.750  0.117  0.064  1.0
  N  N15  1  0.250  0.883  0.936  1.0
[/CIF]
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