data_Cr3OsN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   3.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3OsN
_chemical_formula_sum   'Cr3 Os1 N1'
_cell_volume   55.42
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.0  0.91  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.91  1.0
  Cr  Cr2  1  0.91  0.0  0.0  1.0
  Os  Os3  1  0.91  0.91  0.91  1.0
  N  N4  1  0.0  0.0  0.0  1.0

data_Cr3OsN
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr3OsN
_chemical_formula_sum   'Cr9 Os3 N3'
_cell_volume   166.25
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Cr  Cr0  9  0.03  0.06  0.97  1.0
  Os  Os1  3  0.0  0.0  0.91  1.0
  N  N2  3  0.0  0.0  0.0  1.0

Cr Cr Cr Os N
Cr Cr Cr Os N 0 4 o + o 0 3 - o - 1 4 o o + 1 3 - - o 2 4 + o o 2 3 o - - 
Cr3OsN is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Cr3OsN clusters. Cr(1) is bonded in a distorted single-bond geometry to one Os(1) and one N(1) atom. The Cr(1)-Os(1) bond length is 0.51 Å. The Cr(1)-N(1) bond length is 0.36 Å. Os(1) is bonded in a 3-coordinate geometry to three equivalent Cr(1) atoms. N(1) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms.