The material described by (Nb3O7Cl)2O2(Cl2)5 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of five 7782-50-5 molecules, two water atoms, and one Nb3O7Cl cluster. In the Nb3O7Cl cluster, there are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(15), one O(16), and one O(9) atom. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(15), one O(2), one O(9), and one Cl(11) atom. In the third Nb site, Nb(3) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(16), one O(3), and one O(9) atom. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(16), one O(4), and one Cl(8) atom. In the fifth Nb site, Nb(5) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(15), and one O(5) atom. In the sixth Nb site, Nb(6) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(14), and one O(6) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Nb(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Nb(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Nb(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Nb(5) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Nb(6) atom. In the seventh O site, O(9) is bonded in a trigonal non-coplanar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the eighth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Nb(1), one Nb(4), and one Nb(5) atom. In the ninth O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Nb(3), one Nb(4), and one Nb(6) atom. In the tenth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2), one Nb(5), and one Nb(6) atom. In the eleventh O site, O(13) is bonded in a trigonal non-coplanar geometry to one Nb(4), one Nb(5), and one Nb(6) atom. In the twelfth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Nb(2), one Nb(3), and one Nb(6) atom. In the thirteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Nb(2), and one Nb(5) atom. In the fourteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Nb(3), and one Nb(4) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(8) is bonded in a single-bond geometry to one Nb(4) atom. In the second Cl site, Cl(11) is bonded in a single-bond geometry to one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3(Cl3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.258
_cell_length_b   11.761
_cell_length_c   11.988
_cell_angle_alpha   88.351
_cell_angle_beta   115.846
_cell_angle_gamma   116.576
_symmetry_Int_Tables_number   1
_cell_volume   1250.035
_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
  Nb  Nb0  1  0.998  0.862  0.135  1.0
  Nb  Nb1  1  0.287  0.121  0.118  1.0
  Nb  Nb2  1  0.004  0.131  0.130  1.0
  Nb  Nb3  1  0.710  0.877  0.879  1.0
  Nb  Nb4  1  0.995  0.871  0.871  1.0
  Nb  Nb5  1  0.001  0.140  0.867  1.0
  Cl  Cl6  1  0.444  0.052  0.472  1.0
  Cl  Cl7  1  0.447  0.426  0.426  1.0
  Cl  Cl8  1  0.074  0.042  0.469  1.0
  Cl  Cl9  1  0.562  0.539  0.956  1.0
  Cl  Cl10  1  0.555  0.570  0.575  1.0
  Cl  Cl11  1  0.910  0.516  0.946  1.0
  Cl  Cl12  1  0.558  0.954  0.534  1.0
  Cl  Cl13  1  0.561  0.926  0.933  1.0
  Cl  Cl14  1  0.081  0.482  0.049  1.0
  Cl  Cl15  1  0.442  0.468  0.048  1.0
  Cl  Cl16  1  0.432  0.067  0.061  1.0
  Cl  Cl17  1  0.926  0.958  0.533  1.0
  O  O18  1  0.997  0.756  0.239  1.0
  O  O19  1  0.443  0.245  0.243  1.0
  O  O20  1  0.010  0.235  0.234  1.0
  O  O21  1  0.560  0.753  0.753  1.0
  O  O22  1  0.990  0.766  0.768  1.0
  O  O23  1  0.001  0.247  0.764  1.0
  O  O24  1  0.511  0.253  0.742  1.0
  O  O25  1  0.503  0.741  0.250  1.0
  O  O26  1  0.157  0.057  0.214  1.0
  O  O27  1  0.840  0.783  0.943  1.0
  O  O28  1  0.865  0.110  0.945  1.0
  O  O29  1  0.136  0.060  0.892  1.0
  O  O30  1  0.843  0.945  0.787  1.0
  O  O31  1  0.159  0.219  0.058  1.0
  O  O32  1  0.133  0.891  0.056  1.0
  O  O33  1  0.864  0.942  0.110  1.0
[/CIF]
.
The material described by (Nb3O7Cl)2O2(Cl2)5 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of five 7782-50-5 molecules, two water atoms, and one Nb3O7Cl cluster. In the Nb3O7Cl cluster, there are six inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(15), one O(16), and one O(9) atom. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(15), one O(2), one O(9), and one Cl(11) atom. In the third Nb site, Nb(3) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(16), one O(3), and one O(9) atom. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(13), one O(16), one O(4), and one Cl(8) atom. In the fifth Nb site, Nb(5) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(15), and one O(5) atom. In the sixth Nb site, Nb(6) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(14), and one O(6) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Nb(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Nb(3) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Nb(4) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Nb(5) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Nb(6) atom. In the seventh O site, O(9) is bonded in a trigonal non-coplanar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the eighth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Nb(1), one Nb(4), and one Nb(5) atom. In the ninth O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Nb(3), one Nb(4), and one Nb(6) atom. In the tenth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2), one Nb(5), and one Nb(6) atom. In the eleventh O site, O(13) is bonded in a trigonal non-coplanar geometry to one Nb(4), one Nb(5), and one Nb(6) atom. In the twelfth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Nb(2), one Nb(3), and one Nb(6) atom. In the thirteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Nb(2), and one Nb(5) atom. In the fourteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Nb(3), and one Nb(4) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(8) is bonded in a single-bond geometry to one Nb(4) atom. In the second Cl site, Cl(11) is bonded in a single-bond geometry to one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb3(Cl3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.258
_cell_length_b   11.761
_cell_length_c   11.988
_cell_angle_alpha   88.351
_cell_angle_beta   115.846
_cell_angle_gamma   116.576
_symmetry_Int_Tables_number   1
_cell_volume   1250.035
_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
  Nb  Nb0  1  0.998  0.862  0.135  1.0
  Nb  Nb1  1  0.287  0.121  0.118  1.0
  Nb  Nb2  1  0.004  0.131  0.130  1.0
  Nb  Nb3  1  0.710  0.877  0.879  1.0
  Nb  Nb4  1  0.995  0.871  0.871  1.0
  Nb  Nb5  1  0.001  0.140  0.867  1.0
  Cl  Cl6  1  0.444  0.052  0.472  1.0
  Cl  Cl7  1  0.447  0.426  0.426  1.0
  Cl  Cl8  1  0.074  0.042  0.469  1.0
  Cl  Cl9  1  0.562  0.539  0.956  1.0
  Cl  Cl10  1  0.555  0.570  0.575  1.0
  Cl  Cl11  1  0.910  0.516  0.946  1.0
  Cl  Cl12  1  0.558  0.954  0.534  1.0
  Cl  Cl13  1  0.561  0.926  0.933  1.0
  Cl  Cl14  1  0.081  0.482  0.049  1.0
  Cl  Cl15  1  0.442  0.468  0.048  1.0
  Cl  Cl16  1  0.432  0.067  0.061  1.0
  Cl  Cl17  1  0.926  0.958  0.533  1.0
  O  O18  1  0.997  0.756  0.239  1.0
  O  O19  1  0.443  0.245  0.243  1.0
  O  O20  1  0.010  0.235  0.234  1.0
  O  O21  1  0.560  0.753  0.753  1.0
  O  O22  1  0.990  0.766  0.768  1.0
  O  O23  1  0.001  0.247  0.764  1.0
  O  O24  1  0.511  0.253  0.742  1.0
  O  O25  1  0.503  0.741  0.250  1.0
  O  O26  1  0.157  0.057  0.214  1.0
  O  O27  1  0.840  0.783  0.943  1.0
  O  O28  1  0.865  0.110  0.945  1.0
  O  O29  1  0.136  0.060  0.892  1.0
  O  O30  1  0.843  0.945  0.787  1.0
  O  O31  1  0.159  0.219  0.058  1.0
  O  O32  1  0.133  0.891  0.056  1.0
  O  O33  1  0.864  0.942  0.110  1.0
[/CIF]
.