The material described by Zr3S2 is Ilmenite-derived structured and crystallizes in the trigonal R32 space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. S(1) is bonded to six equivalent Zr(1) atoms to form a mixture of distorted edge, face, and corner-sharing SZr6 pentagonal pyramids. is represented by the CIF file [CIF]
data_Zr3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.837
_cell_length_b   4.837
_cell_length_c   4.837
_cell_angle_alpha   73.748
_cell_angle_beta   73.748
_cell_angle_gamma   73.748
_symmetry_Int_Tables_number   1
_cell_volume   101.788
_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
  Zr  Zr0  1  0.161  0.839  0.500  1.0
  Zr  Zr1  1  0.500  0.161  0.839  1.0
  Zr  Zr2  1  0.839  0.500  0.161  1.0
  S  S3  1  0.335  0.335  0.335  1.0
  S  S4  1  0.665  0.665  0.665  1.0
[/CIF]
.
The material described by Zr3S2 is Ilmenite-derived structured and crystallizes in the trigonal R32 space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. S(1) is bonded to six equivalent Zr(1) atoms to form a mixture of distorted edge, face, and corner-sharing SZr6 pentagonal pyramids. is represented by the CIF file [CIF]
data_Zr3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.837
_cell_length_b   4.837
_cell_length_c   4.837
_cell_angle_alpha   73.748
_cell_angle_beta   73.748
_cell_angle_gamma   73.748
_symmetry_Int_Tables_number   1
_cell_volume   101.788
_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
  Zr  Zr0  1  0.161  0.839  0.500  1.0
  Zr  Zr1  1  0.500  0.161  0.839  1.0
  Zr  Zr2  1  0.839  0.500  0.161  1.0
  S  S3  1  0.335  0.335  0.335  1.0
  S  S4  1  0.665  0.665  0.665  1.0
[/CIF]
.