The material described by Li3OsN2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one N(1) atom. In the third Li site, Li(3) is bonded in a distorted single-bond geometry to one N(1) and one N(2) atom. Os(1) is bonded in a 2-coordinate geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Os(1) atom to form edge-sharing NLi4Os trigonal bipyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Os(1), and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3OsN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.707
_cell_length_b   8.045
_cell_length_c   8.623
_cell_angle_alpha   90.000
_cell_angle_beta   127.645
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   368.445
_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
  Li  Li0  1  0.208  0.041  0.020  1.0
  Li  Li1  1  0.792  0.541  0.480  1.0
  Li  Li2  1  0.792  0.959  0.980  1.0
  Li  Li3  1  0.208  0.459  0.520  1.0
  Li  Li4  1  0.088  0.395  0.847  1.0
  Li  Li5  1  0.912  0.895  0.653  1.0
  Li  Li6  1  0.912  0.605  0.153  1.0
  Li  Li7  1  0.088  0.105  0.347  1.0
  Li  Li8  1  0.674  0.316  0.868  1.0
  Li  Li9  1  0.326  0.816  0.632  1.0
  Li  Li10  1  0.326  0.684  0.132  1.0
  Li  Li11  1  0.674  0.184  0.368  1.0
  Os  Os12  1  0.209  0.165  0.702  1.0
  Os  Os13  1  0.791  0.665  0.798  1.0
  Os  Os14  1  0.791  0.835  0.298  1.0
  Os  Os15  1  0.209  0.335  0.202  1.0
  N  N16  1  0.016  0.824  0.934  1.0
  N  N17  1  0.984  0.324  0.566  1.0
  N  N18  1  0.984  0.176  0.066  1.0
  N  N19  1  0.016  0.676  0.434  1.0
  N  N20  1  0.566  0.528  0.588  1.0
  N  N21  1  0.434  0.028  0.912  1.0
  N  N22  1  0.434  0.472  0.412  1.0
  N  N23  1  0.566  0.972  0.088  1.0
[/CIF]
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The material described by Li3OsN2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one N(1) atom. In the third Li site, Li(3) is bonded in a distorted single-bond geometry to one N(1) and one N(2) atom. Os(1) is bonded in a 2-coordinate geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Os(1) atom to form edge-sharing NLi4Os trigonal bipyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(1), one Os(1), and one N(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3OsN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.707
_cell_length_b   8.045
_cell_length_c   8.623
_cell_angle_alpha   90.000
_cell_angle_beta   127.645
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   368.445
_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
  Li  Li0  1  0.208  0.041  0.020  1.0
  Li  Li1  1  0.792  0.541  0.480  1.0
  Li  Li2  1  0.792  0.959  0.980  1.0
  Li  Li3  1  0.208  0.459  0.520  1.0
  Li  Li4  1  0.088  0.395  0.847  1.0
  Li  Li5  1  0.912  0.895  0.653  1.0
  Li  Li6  1  0.912  0.605  0.153  1.0
  Li  Li7  1  0.088  0.105  0.347  1.0
  Li  Li8  1  0.674  0.316  0.868  1.0
  Li  Li9  1  0.326  0.816  0.632  1.0
  Li  Li10  1  0.326  0.684  0.132  1.0
  Li  Li11  1  0.674  0.184  0.368  1.0
  Os  Os12  1  0.209  0.165  0.702  1.0
  Os  Os13  1  0.791  0.665  0.798  1.0
  Os  Os14  1  0.791  0.835  0.298  1.0
  Os  Os15  1  0.209  0.335  0.202  1.0
  N  N16  1  0.016  0.824  0.934  1.0
  N  N17  1  0.984  0.324  0.566  1.0
  N  N18  1  0.984  0.176  0.066  1.0
  N  N19  1  0.016  0.676  0.434  1.0
  N  N20  1  0.566  0.528  0.588  1.0
  N  N21  1  0.434  0.028  0.912  1.0
  N  N22  1  0.434  0.472  0.412  1.0
  N  N23  1  0.566  0.972  0.088  1.0
[/CIF]
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