The crystal structure described by Zr9S2 crystallizes in the tetragonal I4_1/amd space group. There are five inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted water-like geometry to two equivalent S(1) atoms. In the second Zr site, Zr(2) is bonded in a bent 120 degrees geometry to two equivalent S(1) atoms. In the third Zr site, Zr(3) is bonded in a bent 150 degrees geometry to one Zr(4) and two equivalent S(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 6-coordinate geometry to two equivalent Zr(3) and four equivalent Zr(5) atoms. In the fifth Zr site, Zr(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Zr(4) and two equivalent S(1) atoms. S(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), and two equivalent Zr(5) atoms. is represented by the CIF card [CIF]
data_Zr9S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.914
_cell_length_b   11.914
_cell_length_c   11.914
_cell_angle_alpha   131.472
_cell_angle_beta   131.472
_cell_angle_gamma   71.064
_symmetry_Int_Tables_number   1
_cell_volume   929.690
_cell_formula_units_Z   4
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  0.575  0.426  0.148  1.0
  Zr  Zr1  1  0.176  0.528  0.352  1.0
  Zr  Zr2  1  0.176  0.825  0.648  1.0
  Zr  Zr3  1  0.175  0.824  0.352  1.0
  Zr  Zr4  1  0.472  0.824  0.648  1.0
  Zr  Zr5  1  0.574  0.722  0.148  1.0
  Zr  Zr6  1  0.574  0.425  0.852  1.0
  Zr  Zr7  1  0.278  0.426  0.852  1.0
  Zr  Zr8  1  0.521  0.694  0.828  1.0
  Zr  Zr9  1  0.444  0.116  0.672  1.0
  Zr  Zr10  1  0.444  0.771  0.328  1.0
  Zr  Zr11  1  0.229  0.556  0.672  1.0
  Zr  Zr12  1  0.884  0.556  0.328  1.0
  Zr  Zr13  1  0.306  0.134  0.828  1.0
  Zr  Zr14  1  0.306  0.479  0.172  1.0
  Zr  Zr15  1  0.866  0.694  0.172  1.0
  Zr  Zr16  1  0.988  0.268  0.720  1.0
  Zr  Zr17  1  0.018  0.797  0.780  1.0
  Zr  Zr18  1  0.018  0.238  0.220  1.0
  Zr  Zr19  1  0.762  0.982  0.780  1.0
  Zr  Zr20  1  0.203  0.982  0.220  1.0
  Zr  Zr21  1  0.732  0.453  0.720  1.0
  Zr  Zr22  1  0.732  0.012  0.280  1.0
  Zr  Zr23  1  0.547  0.268  0.280  1.0
  Zr  Zr24  1  0.135  0.135  0.000  1.0
  Zr  Zr25  1  0.885  0.385  0.500  1.0
  Zr  Zr26  1  0.615  0.115  0.500  1.0
  Zr  Zr27  1  0.865  0.865  0.000  1.0
  Zr  Zr28  1  0.375  0.304  0.429  1.0
  Zr  Zr29  1  0.054  0.125  0.429  1.0
  Zr  Zr30  1  0.696  0.625  0.571  1.0
  Zr  Zr31  1  0.875  0.946  0.571  1.0
  Zr  Zr32  1  0.375  0.946  0.071  1.0
  Zr  Zr33  1  0.696  0.125  0.071  1.0
  Zr  Zr34  1  0.054  0.625  0.929  1.0
  Zr  Zr35  1  0.875  0.304  0.929  1.0
  S  S36  1  0.022  0.522  0.044  1.0
  S  S37  1  0.272  0.728  0.000  1.0
  S  S38  1  0.728  0.272  0.000  1.0
  S  S39  1  0.478  0.978  0.956  1.0
  S  S40  1  0.728  0.728  0.456  1.0
  S  S41  1  0.478  0.522  0.500  1.0
  S  S42  1  0.022  0.978  0.500  1.0
  S  S43  1  0.272  0.272  0.544  1.0
[/CIF]
.
The crystal structure described by Zr9S2 crystallizes in the tetragonal I4_1/amd space group. There are five inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted water-like geometry to two equivalent S(1) atoms. In the second Zr site, Zr(2) is bonded in a bent 120 degrees geometry to two equivalent S(1) atoms. In the third Zr site, Zr(3) is bonded in a bent 150 degrees geometry to one Zr(4) and two equivalent S(1) atoms. In the fourth Zr site, Zr(4) is bonded in a 6-coordinate geometry to two equivalent Zr(3) and four equivalent Zr(5) atoms. In the fifth Zr site, Zr(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Zr(4) and two equivalent S(1) atoms. S(1) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Zr(3), and two equivalent Zr(5) atoms. is represented by the CIF card [CIF]
data_Zr9S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.914
_cell_length_b   11.914
_cell_length_c   11.914
_cell_angle_alpha   131.472
_cell_angle_beta   131.472
_cell_angle_gamma   71.064
_symmetry_Int_Tables_number   1
_cell_volume   929.690
_cell_formula_units_Z   4
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  0.575  0.426  0.148  1.0
  Zr  Zr1  1  0.176  0.528  0.352  1.0
  Zr  Zr2  1  0.176  0.825  0.648  1.0
  Zr  Zr3  1  0.175  0.824  0.352  1.0
  Zr  Zr4  1  0.472  0.824  0.648  1.0
  Zr  Zr5  1  0.574  0.722  0.148  1.0
  Zr  Zr6  1  0.574  0.425  0.852  1.0
  Zr  Zr7  1  0.278  0.426  0.852  1.0
  Zr  Zr8  1  0.521  0.694  0.828  1.0
  Zr  Zr9  1  0.444  0.116  0.672  1.0
  Zr  Zr10  1  0.444  0.771  0.328  1.0
  Zr  Zr11  1  0.229  0.556  0.672  1.0
  Zr  Zr12  1  0.884  0.556  0.328  1.0
  Zr  Zr13  1  0.306  0.134  0.828  1.0
  Zr  Zr14  1  0.306  0.479  0.172  1.0
  Zr  Zr15  1  0.866  0.694  0.172  1.0
  Zr  Zr16  1  0.988  0.268  0.720  1.0
  Zr  Zr17  1  0.018  0.797  0.780  1.0
  Zr  Zr18  1  0.018  0.238  0.220  1.0
  Zr  Zr19  1  0.762  0.982  0.780  1.0
  Zr  Zr20  1  0.203  0.982  0.220  1.0
  Zr  Zr21  1  0.732  0.453  0.720  1.0
  Zr  Zr22  1  0.732  0.012  0.280  1.0
  Zr  Zr23  1  0.547  0.268  0.280  1.0
  Zr  Zr24  1  0.135  0.135  0.000  1.0
  Zr  Zr25  1  0.885  0.385  0.500  1.0
  Zr  Zr26  1  0.615  0.115  0.500  1.0
  Zr  Zr27  1  0.865  0.865  0.000  1.0
  Zr  Zr28  1  0.375  0.304  0.429  1.0
  Zr  Zr29  1  0.054  0.125  0.429  1.0
  Zr  Zr30  1  0.696  0.625  0.571  1.0
  Zr  Zr31  1  0.875  0.946  0.571  1.0
  Zr  Zr32  1  0.375  0.946  0.071  1.0
  Zr  Zr33  1  0.696  0.125  0.071  1.0
  Zr  Zr34  1  0.054  0.625  0.929  1.0
  Zr  Zr35  1  0.875  0.304  0.929  1.0
  S  S36  1  0.022  0.522  0.044  1.0
  S  S37  1  0.272  0.728  0.000  1.0
  S  S38  1  0.728  0.272  0.000  1.0
  S  S39  1  0.478  0.978  0.956  1.0
  S  S40  1  0.728  0.728  0.456  1.0
  S  S41  1  0.478  0.522  0.500  1.0
  S  S42  1  0.022  0.978  0.500  1.0
  S  S43  1  0.272  0.272  0.544  1.0
[/CIF]
.