The material described by Sr3Rh3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one N(3), one N(4), two equivalent N(2), and two equivalent N(5) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one N(2), one N(3), one N(4), one N(5), and two equivalent N(1) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one N(5), and two equivalent N(3) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 4-coordinate geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second Rh site, Rh(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the third Rh site, Rh(3) is bonded in a distorted trigonal planar geometry to one N(2), one N(4), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(3), two equivalent Sr(2), one Rh(1), and one Rh(2) atom. In the second N site, N(2) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Rh(2), and one Rh(3) atom to form a mixture of corner and edge-sharing NSr4Rh2 octahedra. The corner-sharing octahedral tilt angles are 19°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), and two equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing NSr4Rh2 octahedra. The corner-sharing octahedral tilt angles are 19°. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Rh(2), and one Rh(3) atom. In the fifth N site, N(5) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Rh(1), and one Rh(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Rh3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.356
_cell_length_b   7.853
_cell_length_c   8.373
_cell_angle_alpha   104.383
_cell_angle_beta   110.895
_cell_angle_gamma   101.540
_symmetry_Int_Tables_number   1
_cell_volume   358.476
_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  0.738  0.407  0.591  1.0
  Sr  Sr1  1  0.262  0.593  0.409  1.0
  Sr  Sr2  1  0.675  0.848  0.886  1.0
  Sr  Sr3  1  0.325  0.152  0.114  1.0
  Sr  Sr4  1  0.719  0.681  0.237  1.0
  Sr  Sr5  1  0.281  0.319  0.763  1.0
  Rh  Rh6  1  0.861  0.345  0.999  1.0
  Rh  Rh7  1  0.139  0.655  0.001  1.0
  Rh  Rh8  1  0.746  0.990  0.585  1.0
  Rh  Rh9  1  0.254  0.010  0.415  1.0
  Rh  Rh10  1  0.076  0.810  0.684  1.0
  Rh  Rh11  1  0.924  0.190  0.316  1.0
  N  N12  1  0.911  0.149  0.835  1.0
  N  N13  1  0.089  0.851  0.165  1.0
  N  N14  1  0.720  0.729  0.578  1.0
  N  N15  1  0.280  0.271  0.422  1.0
  N  N16  1  0.725  0.514  0.902  1.0
  N  N17  1  0.275  0.486  0.098  1.0
  N  N18  1  0.295  0.958  0.630  1.0
  N  N19  1  0.705  0.042  0.370  1.0
  N  N20  1  0.209  0.638  0.782  1.0
  N  N21  1  0.791  0.362  0.218  1.0
[/CIF]
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The material described by Sr3Rh3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 6-coordinate geometry to one N(3), one N(4), two equivalent N(2), and two equivalent N(5) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one N(2), one N(3), one N(4), one N(5), and two equivalent N(1) atoms. In the third Sr site, Sr(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(4), one N(5), and two equivalent N(3) atoms. There are three inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 4-coordinate geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second Rh site, Rh(2) is bonded in a distorted trigonal planar geometry to one N(1), one N(2), and one N(4) atom. In the third Rh site, Rh(3) is bonded in a distorted trigonal planar geometry to one N(2), one N(4), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Sr(3), two equivalent Sr(2), one Rh(1), and one Rh(2) atom. In the second N site, N(2) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Rh(2), and one Rh(3) atom to form a mixture of corner and edge-sharing NSr4Rh2 octahedra. The corner-sharing octahedral tilt angles are 19°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), and two equivalent Rh(1) atoms to form a mixture of distorted corner and edge-sharing NSr4Rh2 octahedra. The corner-sharing octahedral tilt angles are 19°. In the fourth N site, N(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Rh(2), and one Rh(3) atom. In the fifth N site, N(5) is bonded in a 6-coordinate geometry to one Sr(2), one Sr(3), two equivalent Sr(1), one Rh(1), and one Rh(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Rh3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.356
_cell_length_b   7.853
_cell_length_c   8.373
_cell_angle_alpha   104.383
_cell_angle_beta   110.895
_cell_angle_gamma   101.540
_symmetry_Int_Tables_number   1
_cell_volume   358.476
_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  0.738  0.407  0.591  1.0
  Sr  Sr1  1  0.262  0.593  0.409  1.0
  Sr  Sr2  1  0.675  0.848  0.886  1.0
  Sr  Sr3  1  0.325  0.152  0.114  1.0
  Sr  Sr4  1  0.719  0.681  0.237  1.0
  Sr  Sr5  1  0.281  0.319  0.763  1.0
  Rh  Rh6  1  0.861  0.345  0.999  1.0
  Rh  Rh7  1  0.139  0.655  0.001  1.0
  Rh  Rh8  1  0.746  0.990  0.585  1.0
  Rh  Rh9  1  0.254  0.010  0.415  1.0
  Rh  Rh10  1  0.076  0.810  0.684  1.0
  Rh  Rh11  1  0.924  0.190  0.316  1.0
  N  N12  1  0.911  0.149  0.835  1.0
  N  N13  1  0.089  0.851  0.165  1.0
  N  N14  1  0.720  0.729  0.578  1.0
  N  N15  1  0.280  0.271  0.422  1.0
  N  N16  1  0.725  0.514  0.902  1.0
  N  N17  1  0.275  0.486  0.098  1.0
  N  N18  1  0.295  0.958  0.630  1.0
  N  N19  1  0.705  0.042  0.370  1.0
  N  N20  1  0.209  0.638  0.782  1.0
  N  N21  1  0.791  0.362  0.218  1.0
[/CIF]
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