The structure described by Nd2O2S crystallizes in the trigonal P-3m1 space group. Nd(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. S(1) is bonded to six equivalent Nd(1) atoms to form SNd6 octahedra that share corners with twelve equivalent O(1)Nd4 tetrahedra, edges with six equivalent S(1)Nd6 octahedra, and edges with six equivalent O(1)Nd4 tetrahedra. O(1) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with six equivalent S(1)Nd6 octahedra, corners with six equivalent O(1)Nd4 tetrahedra, edges with three equivalent S(1)Nd6 octahedra, and edges with three equivalent O(1)Nd4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.969
_cell_length_b   3.969
_cell_length_c   6.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   93.131
_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
  Nd  Nd0  1  0.667  0.333  0.719  1.0
  Nd  Nd1  1  0.333  0.667  0.281  1.0
  S  S2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.333  0.667  0.629  1.0
  O  O4  1  0.667  0.333  0.371  1.0
[/CIF]
.
The structure described by Nd2O2S crystallizes in the trigonal P-3m1 space group. Nd(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. S(1) is bonded to six equivalent Nd(1) atoms to form SNd6 octahedra that share corners with twelve equivalent O(1)Nd4 tetrahedra, edges with six equivalent S(1)Nd6 octahedra, and edges with six equivalent O(1)Nd4 tetrahedra. O(1) is bonded to four equivalent Nd(1) atoms to form ONd4 tetrahedra that share corners with six equivalent S(1)Nd6 octahedra, corners with six equivalent O(1)Nd4 tetrahedra, edges with three equivalent S(1)Nd6 octahedra, and edges with three equivalent O(1)Nd4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.969
_cell_length_b   3.969
_cell_length_c   6.828
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   93.131
_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
  Nd  Nd0  1  0.667  0.333  0.719  1.0
  Nd  Nd1  1  0.333  0.667  0.281  1.0
  S  S2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.333  0.667  0.629  1.0
  O  O4  1  0.667  0.333  0.371  1.0
[/CIF]
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