The crystal structure described by Li3SO3N is beta beryllia-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form LiNO3 tetrahedra that share corners with four equivalent S(1)NO3 tetrahedra and corners with eight equivalent Li(2)NO3 tetrahedra. In the second Li site, Li(2) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form LiNO3 tetrahedra that share corners with four equivalent Li(1)NO3 tetrahedra, corners with four equivalent Li(2)NO3 tetrahedra, and corners with four equivalent S(1)NO3 tetrahedra. N(1) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form distorted NLi3S tetrahedra that share corners with four equivalent O(1)Li3S tetrahedra and corners with eight equivalent O(2)Li3S tetrahedra. S(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form SNO3 tetrahedra that share corners with four equivalent Li(1)NO3 tetrahedra and corners with eight equivalent Li(2)NO3 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form OLi3S tetrahedra that share corners with four equivalent N(1)Li3S tetrahedra and corners with eight equivalent O(2)Li3S tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form distorted OLi3S tetrahedra that share corners with four equivalent N(1)Li3S tetrahedra, corners with four equivalent O(1)Li3S tetrahedra, and corners with four equivalent O(2)Li3S tetrahedra. is represented by the CIF file [CIF]
data_Li3SNO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.868
_cell_length_b   5.391
_cell_length_c   6.222
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.270
_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
  Li  Li0  1  0.515  0.855  0.000  1.0
  Li  Li1  1  0.015  0.145  0.500  1.0
  Li  Li2  1  0.508  0.322  0.257  1.0
  Li  Li3  1  0.508  0.322  0.743  1.0
  Li  Li4  1  0.008  0.678  0.243  1.0
  Li  Li5  1  0.008  0.678  0.757  1.0
  S  S6  1  0.503  0.834  0.500  1.0
  S  S7  1  0.003  0.166  0.000  1.0
  N  N8  1  0.596  0.096  0.500  1.0
  N  N9  1  0.096  0.904  0.000  1.0
  O  O10  1  0.687  0.197  0.000  1.0
  O  O11  1  0.187  0.803  0.500  1.0
  O  O12  1  0.598  0.681  0.303  1.0
  O  O13  1  0.598  0.681  0.697  1.0
  O  O14  1  0.098  0.319  0.197  1.0
  O  O15  1  0.098  0.319  0.803  1.0
[/CIF]
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The crystal structure described by Li3SO3N is beta beryllia-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form LiNO3 tetrahedra that share corners with four equivalent S(1)NO3 tetrahedra and corners with eight equivalent Li(2)NO3 tetrahedra. In the second Li site, Li(2) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form LiNO3 tetrahedra that share corners with four equivalent Li(1)NO3 tetrahedra, corners with four equivalent Li(2)NO3 tetrahedra, and corners with four equivalent S(1)NO3 tetrahedra. N(1) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form distorted NLi3S tetrahedra that share corners with four equivalent O(1)Li3S tetrahedra and corners with eight equivalent O(2)Li3S tetrahedra. S(1) is bonded to one N(1), one O(1), and two equivalent O(2) atoms to form SNO3 tetrahedra that share corners with four equivalent Li(1)NO3 tetrahedra and corners with eight equivalent Li(2)NO3 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form OLi3S tetrahedra that share corners with four equivalent N(1)Li3S tetrahedra and corners with eight equivalent O(2)Li3S tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one S(1) atom to form distorted OLi3S tetrahedra that share corners with four equivalent N(1)Li3S tetrahedra, corners with four equivalent O(1)Li3S tetrahedra, and corners with four equivalent O(2)Li3S tetrahedra. is represented by the CIF file [CIF]
data_Li3SNO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.868
_cell_length_b   5.391
_cell_length_c   6.222
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   163.270
_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
  Li  Li0  1  0.515  0.855  0.000  1.0
  Li  Li1  1  0.015  0.145  0.500  1.0
  Li  Li2  1  0.508  0.322  0.257  1.0
  Li  Li3  1  0.508  0.322  0.743  1.0
  Li  Li4  1  0.008  0.678  0.243  1.0
  Li  Li5  1  0.008  0.678  0.757  1.0
  S  S6  1  0.503  0.834  0.500  1.0
  S  S7  1  0.003  0.166  0.000  1.0
  N  N8  1  0.596  0.096  0.500  1.0
  N  N9  1  0.096  0.904  0.000  1.0
  O  O10  1  0.687  0.197  0.000  1.0
  O  O11  1  0.187  0.803  0.500  1.0
  O  O12  1  0.598  0.681  0.303  1.0
  O  O13  1  0.598  0.681  0.697  1.0
  O  O14  1  0.098  0.319  0.197  1.0
  O  O15  1  0.098  0.319  0.803  1.0
[/CIF]
.