The structure described by Sr3Mo3N5 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 5-coordinate geometry to one N(3), one N(4), one N(5), and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one N(3), one N(4), two equivalent N(1), and two equivalent N(5) 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 Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of edge and corner-sharing MoN4 tetrahedra. In the second Mo site, Mo(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted edge and corner-sharing MoN4 tetrahedra. In the third Mo site, Mo(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of edge and corner-sharing MoN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(2), one Mo(1), one Mo(2), and one Mo(3) atom. In the second N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), one Mo(2), and one Mo(3) atom to form distorted NSr3Mo2 trigonal bipyramids that share corners with four equivalent N(3)Sr4Mo2 octahedra and  an edgeedge with one N(2)Sr3Mo2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-67°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), and two equivalent Mo(1) atoms to form NSr4Mo2 octahedra that share corners with four equivalent N(2)Sr3Mo2 trigonal bipyramids and edges with two equivalent N(3)Sr4Mo2 octahedra. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mo(3), and two equivalent Mo(2) atoms. In the fifth N site, N(5) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Mo(1), and one Mo(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Mo3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   7.361
_cell_length_c   8.925
_cell_angle_alpha   108.374
_cell_angle_beta   104.286
_cell_angle_gamma   95.519
_symmetry_Int_Tables_number   1
_cell_volume   363.694
_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  0.820  0.440  0.619  1.0
  Sr  Sr1  1  0.180  0.560  0.381  1.0
  Sr  Sr2  1  0.662  0.869  0.891  1.0
  Sr  Sr3  1  0.338  0.131  0.109  1.0
  Sr  Sr4  1  0.653  0.655  0.207  1.0
  Sr  Sr5  1  0.347  0.345  0.793  1.0
  Mo  Mo6  1  0.902  0.322  0.965  1.0
  Mo  Mo7  1  0.098  0.678  0.035  1.0
  Mo  Mo8  1  0.704  0.963  0.575  1.0
  Mo  Mo9  1  0.296  0.037  0.425  1.0
  Mo  Mo10  1  0.125  0.884  0.700  1.0
  Mo  Mo11  1  0.875  0.116  0.300  1.0
  N  N12  1  0.975  0.108  0.797  1.0
  N  N13  1  0.025  0.892  0.203  1.0
  N  N14  1  0.852  0.725  0.510  1.0
  N  N15  1  0.148  0.275  0.490  1.0
  N  N16  1  0.756  0.541  0.911  1.0
  N  N17  1  0.244  0.459  0.089  1.0
  N  N18  1  0.396  0.940  0.624  1.0
  N  N19  1  0.604  0.060  0.376  1.0
  N  N20  1  0.194  0.760  0.868  1.0
  N  N21  1  0.806  0.240  0.132  1.0
[/CIF]
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The structure described by Sr3Mo3N5 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 5-coordinate geometry to one N(3), one N(4), one N(5), and two equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one N(3), one N(4), two equivalent N(1), and two equivalent N(5) 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 Mo sites. In the first Mo site, Mo(1) is bonded to one N(1), one N(5), and two equivalent N(3) atoms to form a mixture of edge and corner-sharing MoN4 tetrahedra. In the second Mo site, Mo(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted edge and corner-sharing MoN4 tetrahedra. In the third Mo site, Mo(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of edge and corner-sharing MoN4 tetrahedra. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Sr(3), two equivalent Sr(2), one Mo(1), one Mo(2), and one Mo(3) atom. In the second N site, N(2) is bonded to one Sr(3), two equivalent Sr(1), one Mo(2), and one Mo(3) atom to form distorted NSr3Mo2 trigonal bipyramids that share corners with four equivalent N(3)Sr4Mo2 octahedra and  an edgeedge with one N(2)Sr3Mo2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-67°. In the third N site, N(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), and two equivalent Mo(1) atoms to form NSr4Mo2 octahedra that share corners with four equivalent N(2)Sr3Mo2 trigonal bipyramids and edges with two equivalent N(3)Sr4Mo2 octahedra. In the fourth N site, N(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mo(3), and two equivalent Mo(2) atoms. In the fifth N site, N(5) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Mo(1), and one Mo(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3Mo3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   7.361
_cell_length_c   8.925
_cell_angle_alpha   108.374
_cell_angle_beta   104.286
_cell_angle_gamma   95.519
_symmetry_Int_Tables_number   1
_cell_volume   363.694
_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  0.820  0.440  0.619  1.0
  Sr  Sr1  1  0.180  0.560  0.381  1.0
  Sr  Sr2  1  0.662  0.869  0.891  1.0
  Sr  Sr3  1  0.338  0.131  0.109  1.0
  Sr  Sr4  1  0.653  0.655  0.207  1.0
  Sr  Sr5  1  0.347  0.345  0.793  1.0
  Mo  Mo6  1  0.902  0.322  0.965  1.0
  Mo  Mo7  1  0.098  0.678  0.035  1.0
  Mo  Mo8  1  0.704  0.963  0.575  1.0
  Mo  Mo9  1  0.296  0.037  0.425  1.0
  Mo  Mo10  1  0.125  0.884  0.700  1.0
  Mo  Mo11  1  0.875  0.116  0.300  1.0
  N  N12  1  0.975  0.108  0.797  1.0
  N  N13  1  0.025  0.892  0.203  1.0
  N  N14  1  0.852  0.725  0.510  1.0
  N  N15  1  0.148  0.275  0.490  1.0
  N  N16  1  0.756  0.541  0.911  1.0
  N  N17  1  0.244  0.459  0.089  1.0
  N  N18  1  0.396  0.940  0.624  1.0
  N  N19  1  0.604  0.060  0.376  1.0
  N  N20  1  0.194  0.760  0.868  1.0
  N  N21  1  0.806  0.240  0.132  1.0
[/CIF]
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