The crystal structure described by ZrSiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent S(1) atoms. Si(1) is bonded to four equivalent Zr(1) and four equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing SiZr4Si4 hexagonal bipyramids. S(1) is bonded in a 5-coordinate geometry to five equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrSiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.554
_cell_length_b   3.554
_cell_length_c   8.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   102.547
_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
  Zr  Zr0  1  0.750  0.750  0.731  1.0
  Zr  Zr1  1  0.250  0.250  0.269  1.0
  Si  Si2  1  0.750  0.250  0.000  1.0
  Si  Si3  1  0.250  0.750  0.000  1.0
  S  S4  1  0.250  0.250  0.623  1.0
  S  S5  1  0.750  0.750  0.377  1.0
[/CIF]
.
The crystal structure described by ZrSiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent S(1) atoms. Si(1) is bonded to four equivalent Zr(1) and four equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing SiZr4Si4 hexagonal bipyramids. S(1) is bonded in a 5-coordinate geometry to five equivalent Zr(1) atoms. is represented by the CIF card [CIF]
data_ZrSiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.554
_cell_length_b   3.554
_cell_length_c   8.118
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   102.547
_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
  Zr  Zr0  1  0.750  0.750  0.731  1.0
  Zr  Zr1  1  0.250  0.250  0.269  1.0
  Si  Si2  1  0.750  0.250  0.000  1.0
  Si  Si3  1  0.250  0.750  0.000  1.0
  S  S4  1  0.250  0.250  0.623  1.0
  S  S5  1  0.750  0.750  0.377  1.0
[/CIF]
.