The crystal structure described by BaNbO16I5 crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. Nb(1) is bonded in a distorted octahedral geometry to one O(10), one O(12), one O(3), one O(6), one O(8), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one I(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one I(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one I(1), and one I(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Nb(1), and one I(5) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ba(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Nb(1) and one I(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Nb(1) and one I(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1) and one Nb(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one I(4), and one I(5) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ba(1), one Nb(1), and one I(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ba(1) and one I(3) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(1), one I(1), and one I(5) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one I(5) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one I(1) and one I(4) atom. There are five inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one O(14), one O(16), one O(4), and one O(8) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(1), one O(12), and one O(5) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(13), one O(4), one O(7), and one O(9) atom. In the fourth I site, I(4) is bonded in a 4-coordinate geometry to one O(11), one O(16), one O(2), and one O(3) atom. In the fifth I site, I(5) is bonded in a distorted see-saw-like geometry to one O(11), one O(14), one O(15), and one O(6) atom. is represented by the CIF card [CIF]
data_BaNbI5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.120
_cell_length_b   8.120
_cell_length_c   15.275
_cell_angle_alpha   69.525
_cell_angle_beta   69.525
_cell_angle_gamma   56.104
_symmetry_Int_Tables_number   1
_cell_volume   767.485
_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
  Ba  Ba0  1  0.979  0.266  0.505  1.0
  Ba  Ba1  1  0.266  0.979  0.005  1.0
  Nb  Nb2  1  0.409  0.465  0.911  1.0
  Nb  Nb3  1  0.465  0.409  0.411  1.0
  I  I4  1  0.415  0.764  0.671  1.0
  I  I5  1  0.764  0.415  0.171  1.0
  I  I6  1  0.026  0.713  0.576  1.0
  I  I7  1  0.713  0.026  0.076  1.0
  I  I8  1  0.914  0.230  0.782  1.0
  I  I9  1  0.230  0.914  0.282  1.0
  I  I10  1  0.128  0.533  0.231  1.0
  I  I11  1  0.533  0.128  0.731  1.0
  I  I12  1  0.901  0.654  0.890  1.0
  I  I13  1  0.654  0.901  0.390  1.0
  O  O14  1  0.179  0.594  0.666  1.0
  O  O15  1  0.594  0.179  0.166  1.0
  O  O16  1  0.798  0.026  0.670  1.0
  O  O17  1  0.026  0.798  0.170  1.0
  O  O18  1  0.311  0.532  0.278  1.0
  O  O19  1  0.532  0.311  0.778  1.0
  O  O20  1  0.191  0.009  0.650  1.0
  O  O21  1  0.009  0.191  0.150  1.0
  O  O22  1  0.889  0.112  0.000  1.0
  O  O23  1  0.112  0.889  0.500  1.0
  O  O24  1  0.154  0.446  0.928  1.0
  O  O25  1  0.446  0.154  0.428  1.0
  O  O26  1  0.884  0.409  0.668  1.0
  O  O27  1  0.409  0.884  0.168  1.0
  O  O28  1  0.313  0.717  0.803  1.0
  O  O29  1  0.717  0.313  0.303  1.0
  O  O30  1  0.693  0.424  0.857  1.0
  O  O31  1  0.424  0.693  0.357  1.0
  O  O32  1  0.336  0.610  0.995  1.0
  O  O33  1  0.610  0.336  0.495  1.0
  O  O34  1  0.556  0.936  0.842  1.0
  O  O35  1  0.936  0.556  0.342  1.0
  O  O36  1  0.185  0.509  0.498  1.0
  O  O37  1  0.509  0.185  0.998  1.0
  O  O38  1  0.106  0.234  0.815  1.0
  O  O39  1  0.234  0.106  0.315  1.0
  O  O40  1  0.733  0.603  0.997  1.0
  O  O41  1  0.603  0.733  0.497  1.0
  O  O42  1  0.895  0.861  0.911  1.0
  O  O43  1  0.861  0.895  0.411  1.0
  O  O44  1  0.578  0.851  0.671  1.0
  O  O45  1  0.851  0.578  0.171  1.0
[/CIF]
.
The crystal structure described by BaNbO16I5 crystallizes in the monoclinic Cc space group. Ba(1) is bonded in a 10-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. Nb(1) is bonded in a distorted octahedral geometry to one O(10), one O(12), one O(3), one O(6), one O(8), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one I(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nb(1) and one I(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one I(1), and one I(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Nb(1), and one I(5) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Ba(1) and one I(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Nb(1) and one I(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Nb(1) and one I(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1) and one Nb(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ba(1), one I(4), and one I(5) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ba(1), one Nb(1), and one I(2) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one Ba(1) and one I(3) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Ba(1), one I(1), and one I(5) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one I(5) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one I(1) and one I(4) atom. There are five inequivalent I sites. In the first I site, I(1) is bonded in a 4-coordinate geometry to one O(14), one O(16), one O(4), and one O(8) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(1), one O(12), and one O(5) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(13), one O(4), one O(7), and one O(9) atom. In the fourth I site, I(4) is bonded in a 4-coordinate geometry to one O(11), one O(16), one O(2), and one O(3) atom. In the fifth I site, I(5) is bonded in a distorted see-saw-like geometry to one O(11), one O(14), one O(15), and one O(6) atom. is represented by the CIF card [CIF]
data_BaNbI5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.120
_cell_length_b   8.120
_cell_length_c   15.275
_cell_angle_alpha   69.525
_cell_angle_beta   69.525
_cell_angle_gamma   56.104
_symmetry_Int_Tables_number   1
_cell_volume   767.485
_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
  Ba  Ba0  1  0.979  0.266  0.505  1.0
  Ba  Ba1  1  0.266  0.979  0.005  1.0
  Nb  Nb2  1  0.409  0.465  0.911  1.0
  Nb  Nb3  1  0.465  0.409  0.411  1.0
  I  I4  1  0.415  0.764  0.671  1.0
  I  I5  1  0.764  0.415  0.171  1.0
  I  I6  1  0.026  0.713  0.576  1.0
  I  I7  1  0.713  0.026  0.076  1.0
  I  I8  1  0.914  0.230  0.782  1.0
  I  I9  1  0.230  0.914  0.282  1.0
  I  I10  1  0.128  0.533  0.231  1.0
  I  I11  1  0.533  0.128  0.731  1.0
  I  I12  1  0.901  0.654  0.890  1.0
  I  I13  1  0.654  0.901  0.390  1.0
  O  O14  1  0.179  0.594  0.666  1.0
  O  O15  1  0.594  0.179  0.166  1.0
  O  O16  1  0.798  0.026  0.670  1.0
  O  O17  1  0.026  0.798  0.170  1.0
  O  O18  1  0.311  0.532  0.278  1.0
  O  O19  1  0.532  0.311  0.778  1.0
  O  O20  1  0.191  0.009  0.650  1.0
  O  O21  1  0.009  0.191  0.150  1.0
  O  O22  1  0.889  0.112  0.000  1.0
  O  O23  1  0.112  0.889  0.500  1.0
  O  O24  1  0.154  0.446  0.928  1.0
  O  O25  1  0.446  0.154  0.428  1.0
  O  O26  1  0.884  0.409  0.668  1.0
  O  O27  1  0.409  0.884  0.168  1.0
  O  O28  1  0.313  0.717  0.803  1.0
  O  O29  1  0.717  0.313  0.303  1.0
  O  O30  1  0.693  0.424  0.857  1.0
  O  O31  1  0.424  0.693  0.357  1.0
  O  O32  1  0.336  0.610  0.995  1.0
  O  O33  1  0.610  0.336  0.495  1.0
  O  O34  1  0.556  0.936  0.842  1.0
  O  O35  1  0.936  0.556  0.342  1.0
  O  O36  1  0.185  0.509  0.498  1.0
  O  O37  1  0.509  0.185  0.998  1.0
  O  O38  1  0.106  0.234  0.815  1.0
  O  O39  1  0.234  0.106  0.315  1.0
  O  O40  1  0.733  0.603  0.997  1.0
  O  O41  1  0.603  0.733  0.497  1.0
  O  O42  1  0.895  0.861  0.911  1.0
  O  O43  1  0.861  0.895  0.411  1.0
  O  O44  1  0.578  0.851  0.671  1.0
  O  O45  1  0.851  0.578  0.171  1.0
[/CIF]
.