The material described by (Fe(SO3)6)2(N2)9 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of nine ammonia atoms and one Fe(SO3)6 cluster. In the Fe(SO3)6 cluster, Fe(1) is bonded in an octahedral geometry to two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(7) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(8) atom. In the third S site, S(3) is bonded in a trigonal planar geometry to one O(9) and two equivalent O(3,6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. In the third O site, O(3,6) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(2) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(2) atom. In the eighth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(3) atom. is represented by the CIF card [CIF]
data_FeS6(NO2)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.263
_cell_length_b   10.695
_cell_length_c   11.094
_cell_angle_alpha   118.723
_cell_angle_beta   89.130
_cell_angle_gamma   92.375
_symmetry_Int_Tables_number   1
_cell_volume   755.099
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  S  S1  1  0.797  0.019  0.712  1.0
  S  S2  1  0.840  0.692  0.975  1.0
  S  S3  1  0.794  0.289  0.306  1.0
  S  S4  1  0.203  0.981  0.288  1.0
  S  S5  1  0.160  0.308  0.025  1.0
  S  S6  1  0.206  0.711  0.694  1.0
  N  N7  1  0.650  0.658  0.617  1.0
  N  N8  1  0.653  0.951  0.337  1.0
  N  N9  1  0.653  0.386  0.046  1.0
  N  N10  1  0.350  0.342  0.383  1.0
  N  N11  1  0.347  0.049  0.663  1.0
  N  N12  1  0.347  0.614  0.954  1.0
  N  N13  1  0.016  0.667  0.333  1.0
  N  N14  1  0.984  0.333  0.667  1.0
  N  N15  1  0.500  0.000  0.000  1.0
  O  O16  1  0.817  0.909  0.573  1.0
  O  O17  1  0.800  0.679  0.098  1.0
  O  O18  1  0.813  0.436  0.337  1.0
  O  O19  1  0.183  0.091  0.427  1.0
  O  O20  1  0.200  0.321  0.902  1.0
  O  O21  1  0.187  0.564  0.663  1.0
  O  O22  1  0.743  0.159  0.747  1.0
  O  O23  1  0.732  0.605  0.849  1.0
  O  O24  1  0.743  0.249  0.409  1.0
  O  O25  1  0.257  0.841  0.253  1.0
  O  O26  1  0.268  0.395  0.151  1.0
  O  O27  1  0.257  0.751  0.591  1.0
  O  O28  1  0.832  0.984  0.820  1.0
  O  O29  1  0.844  0.852  0.011  1.0
  O  O30  1  0.828  0.179  0.168  1.0
  O  O31  1  0.168  0.016  0.180  1.0
  O  O32  1  0.156  0.148  0.989  1.0
  O  O33  1  0.172  0.821  0.832  1.0
[/CIF]
.
The material described by (Fe(SO3)6)2(N2)9 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of nine ammonia atoms and one Fe(SO3)6 cluster. In the Fe(SO3)6 cluster, Fe(1) is bonded in an octahedral geometry to two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(7) atom. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(8) atom. In the third S site, S(3) is bonded in a trigonal planar geometry to one O(9) and two equivalent O(3,6) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. In the third O site, O(3,6) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one S(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one S(2) atom. In the sixth O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(1) atom. In the seventh O site, O(8) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(2) atom. In the eighth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(1) and one S(3) atom. is represented by the CIF card [CIF]
data_FeS6(NO2)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.263
_cell_length_b   10.695
_cell_length_c   11.094
_cell_angle_alpha   118.723
_cell_angle_beta   89.130
_cell_angle_gamma   92.375
_symmetry_Int_Tables_number   1
_cell_volume   755.099
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  S  S1  1  0.797  0.019  0.712  1.0
  S  S2  1  0.840  0.692  0.975  1.0
  S  S3  1  0.794  0.289  0.306  1.0
  S  S4  1  0.203  0.981  0.288  1.0
  S  S5  1  0.160  0.308  0.025  1.0
  S  S6  1  0.206  0.711  0.694  1.0
  N  N7  1  0.650  0.658  0.617  1.0
  N  N8  1  0.653  0.951  0.337  1.0
  N  N9  1  0.653  0.386  0.046  1.0
  N  N10  1  0.350  0.342  0.383  1.0
  N  N11  1  0.347  0.049  0.663  1.0
  N  N12  1  0.347  0.614  0.954  1.0
  N  N13  1  0.016  0.667  0.333  1.0
  N  N14  1  0.984  0.333  0.667  1.0
  N  N15  1  0.500  0.000  0.000  1.0
  O  O16  1  0.817  0.909  0.573  1.0
  O  O17  1  0.800  0.679  0.098  1.0
  O  O18  1  0.813  0.436  0.337  1.0
  O  O19  1  0.183  0.091  0.427  1.0
  O  O20  1  0.200  0.321  0.902  1.0
  O  O21  1  0.187  0.564  0.663  1.0
  O  O22  1  0.743  0.159  0.747  1.0
  O  O23  1  0.732  0.605  0.849  1.0
  O  O24  1  0.743  0.249  0.409  1.0
  O  O25  1  0.257  0.841  0.253  1.0
  O  O26  1  0.268  0.395  0.151  1.0
  O  O27  1  0.257  0.751  0.591  1.0
  O  O28  1  0.832  0.984  0.820  1.0
  O  O29  1  0.844  0.852  0.011  1.0
  O  O30  1  0.828  0.179  0.168  1.0
  O  O31  1  0.168  0.016  0.180  1.0
  O  O32  1  0.156  0.148  0.989  1.0
  O  O33  1  0.172  0.821  0.832  1.0
[/CIF]
.