The material structure described by Cs3CoNO3I4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), one I(2), one I(3), and four equivalent I(1) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms. Co(1) is bonded in a tetrahedral geometry to one I(2), one I(3), and two equivalent I(1) atoms. N(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one N(1) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one Co(1) atom. In the second I site, I(2) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Co(1) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Co(1) atom. is represented by the CIF card [CIF]
data_Cs3CoI4NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.121
_cell_length_b   11.661
_cell_length_c   14.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1690.187
_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
  Cs  Cs0  1  0.075  0.250  0.553  1.0
  Cs  Cs1  1  0.575  0.250  0.947  1.0
  Cs  Cs2  1  0.925  0.750  0.447  1.0
  Cs  Cs3  1  0.425  0.750  0.053  1.0
  Cs  Cs4  1  0.400  0.989  0.319  1.0
  Cs  Cs5  1  0.900  0.511  0.181  1.0
  Cs  Cs6  1  0.600  0.489  0.681  1.0
  Cs  Cs7  1  0.100  0.011  0.819  1.0
  Cs  Cs8  1  0.600  0.011  0.681  1.0
  Cs  Cs9  1  0.100  0.489  0.819  1.0
  Cs  Cs10  1  0.400  0.511  0.319  1.0
  Cs  Cs11  1  0.900  0.989  0.181  1.0
  Co  Co12  1  0.675  0.250  0.402  1.0
  Co  Co13  1  0.175  0.250  0.098  1.0
  Co  Co14  1  0.325  0.750  0.598  1.0
  Co  Co15  1  0.825  0.750  0.902  1.0
  I  I16  1  0.799  0.063  0.443  1.0
  I  I17  1  0.299  0.437  0.057  1.0
  I  I18  1  0.201  0.563  0.557  1.0
  I  I19  1  0.701  0.937  0.943  1.0
  I  I20  1  0.201  0.937  0.557  1.0
  I  I21  1  0.701  0.563  0.943  1.0
  I  I22  1  0.799  0.437  0.443  1.0
  I  I23  1  0.299  0.063  0.057  1.0
  I  I24  1  0.460  0.250  0.501  1.0
  I  I25  1  0.960  0.250  0.999  1.0
  I  I26  1  0.540  0.750  0.499  1.0
  I  I27  1  0.040  0.750  0.001  1.0
  I  I28  1  0.627  0.250  0.224  1.0
  I  I29  1  0.127  0.250  0.276  1.0
  I  I30  1  0.373  0.750  0.776  1.0
  I  I31  1  0.873  0.750  0.724  1.0
  N  N32  1  0.175  0.750  0.273  1.0
  N  N33  1  0.675  0.750  0.227  1.0
  N  N34  1  0.825  0.250  0.727  1.0
  N  N35  1  0.325  0.250  0.773  1.0
  O  O36  1  0.293  0.750  0.245  1.0
  O  O37  1  0.793  0.750  0.255  1.0
  O  O38  1  0.707  0.250  0.755  1.0
  O  O39  1  0.207  0.250  0.745  1.0
  O  O40  1  0.116  0.656  0.288  1.0
  O  O41  1  0.616  0.844  0.212  1.0
  O  O42  1  0.884  0.156  0.712  1.0
  O  O43  1  0.384  0.344  0.788  1.0
  O  O44  1  0.884  0.344  0.712  1.0
  O  O45  1  0.384  0.156  0.788  1.0
  O  O46  1  0.116  0.844  0.288  1.0
  O  O47  1  0.616  0.656  0.212  1.0
[/CIF]
.
The material structure described by Cs3CoNO3I4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), one I(2), one I(3), and four equivalent I(1) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent I(1), two equivalent I(2), and two equivalent I(3) atoms. Co(1) is bonded in a tetrahedral geometry to one I(2), one I(3), and two equivalent I(1) atoms. N(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cs(1), two equivalent Cs(2), and one N(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one N(1) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 1-coordinate geometry to two equivalent Cs(1), two equivalent Cs(2), and one Co(1) atom. In the second I site, I(2) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Co(1) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Co(1) atom. is represented by the CIF card [CIF]
data_Cs3CoI4NO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.121
_cell_length_b   11.661
_cell_length_c   14.321
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1690.187
_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
  Cs  Cs0  1  0.075  0.250  0.553  1.0
  Cs  Cs1  1  0.575  0.250  0.947  1.0
  Cs  Cs2  1  0.925  0.750  0.447  1.0
  Cs  Cs3  1  0.425  0.750  0.053  1.0
  Cs  Cs4  1  0.400  0.989  0.319  1.0
  Cs  Cs5  1  0.900  0.511  0.181  1.0
  Cs  Cs6  1  0.600  0.489  0.681  1.0
  Cs  Cs7  1  0.100  0.011  0.819  1.0
  Cs  Cs8  1  0.600  0.011  0.681  1.0
  Cs  Cs9  1  0.100  0.489  0.819  1.0
  Cs  Cs10  1  0.400  0.511  0.319  1.0
  Cs  Cs11  1  0.900  0.989  0.181  1.0
  Co  Co12  1  0.675  0.250  0.402  1.0
  Co  Co13  1  0.175  0.250  0.098  1.0
  Co  Co14  1  0.325  0.750  0.598  1.0
  Co  Co15  1  0.825  0.750  0.902  1.0
  I  I16  1  0.799  0.063  0.443  1.0
  I  I17  1  0.299  0.437  0.057  1.0
  I  I18  1  0.201  0.563  0.557  1.0
  I  I19  1  0.701  0.937  0.943  1.0
  I  I20  1  0.201  0.937  0.557  1.0
  I  I21  1  0.701  0.563  0.943  1.0
  I  I22  1  0.799  0.437  0.443  1.0
  I  I23  1  0.299  0.063  0.057  1.0
  I  I24  1  0.460  0.250  0.501  1.0
  I  I25  1  0.960  0.250  0.999  1.0
  I  I26  1  0.540  0.750  0.499  1.0
  I  I27  1  0.040  0.750  0.001  1.0
  I  I28  1  0.627  0.250  0.224  1.0
  I  I29  1  0.127  0.250  0.276  1.0
  I  I30  1  0.373  0.750  0.776  1.0
  I  I31  1  0.873  0.750  0.724  1.0
  N  N32  1  0.175  0.750  0.273  1.0
  N  N33  1  0.675  0.750  0.227  1.0
  N  N34  1  0.825  0.250  0.727  1.0
  N  N35  1  0.325  0.250  0.773  1.0
  O  O36  1  0.293  0.750  0.245  1.0
  O  O37  1  0.793  0.750  0.255  1.0
  O  O38  1  0.707  0.250  0.755  1.0
  O  O39  1  0.207  0.250  0.745  1.0
  O  O40  1  0.116  0.656  0.288  1.0
  O  O41  1  0.616  0.844  0.212  1.0
  O  O42  1  0.884  0.156  0.712  1.0
  O  O43  1  0.384  0.344  0.788  1.0
  O  O44  1  0.884  0.344  0.712  1.0
  O  O45  1  0.384  0.156  0.788  1.0
  O  O46  1  0.116  0.844  0.288  1.0
  O  O47  1  0.616  0.656  0.212  1.0
[/CIF]
.