The material described by NdHSe crystallizes in the hexagonal P6_3/mmc space group. Nd(1) is bonded in a distorted trigonal planar geometry to three equivalent H(1) and six equivalent Se(1) atoms. H(1) is bonded in a trigonal planar geometry to three equivalent Nd(1) atoms. Se(1) is bonded to six equivalent Nd(1) atoms to form a mixture of edge, corner, and face-sharing SeNd6 octahedra. The corner-sharing octahedral tilt angles are 44°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdHSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.012
_cell_length_b   4.012
_cell_length_c   7.998
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   111.496
_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
  Nd  Nd0  1  0.333  0.667  0.250  1.0
  Nd  Nd1  1  0.667  0.333  0.750  1.0
  H  H2  1  0.333  0.667  0.750  1.0
  H  H3  1  0.667  0.333  0.250  1.0
  Se  Se4  1  0.000  0.000  0.000  1.0
  Se  Se5  1  0.000  0.000  0.500  1.0
[/CIF]
.
The material described by NdHSe crystallizes in the hexagonal P6_3/mmc space group. Nd(1) is bonded in a distorted trigonal planar geometry to three equivalent H(1) and six equivalent Se(1) atoms. H(1) is bonded in a trigonal planar geometry to three equivalent Nd(1) atoms. Se(1) is bonded to six equivalent Nd(1) atoms to form a mixture of edge, corner, and face-sharing SeNd6 octahedra. The corner-sharing octahedral tilt angles are 44°. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdHSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.012
_cell_length_b   4.012
_cell_length_c   7.998
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   111.496
_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
  Nd  Nd0  1  0.333  0.667  0.250  1.0
  Nd  Nd1  1  0.667  0.333  0.750  1.0
  H  H2  1  0.333  0.667  0.750  1.0
  H  H3  1  0.667  0.333  0.250  1.0
  Se  Se4  1  0.000  0.000  0.000  1.0
  Se  Se5  1  0.000  0.000  0.500  1.0
[/CIF]
.