The crystal structure described by Cs2Nb3O5Cl7 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to one Cl(4), three equivalent Cl(1), three equivalent Cl(2), and three equivalent Cl(3) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one Cl(1), one Cl(2), and one Cl(4) atom. In the second Nb site, Nb(2) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Nb(1) atoms. In the second Cl site, Cl(1) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Nb(1) atom. In the third Cl site, Cl(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Nb(1) atom. In the fourth Cl site, Cl(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Nb(2) atom. is represented by the CIF file [CIF]
data_Cs2Nb3Cl7O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.956
_cell_length_b   9.956
_cell_length_c   11.339
_cell_angle_alpha   72.927
_cell_angle_beta   72.927
_cell_angle_gamma   54.244
_symmetry_Int_Tables_number   1
_cell_volume   860.953
_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
  Cs  Cs0  1  0.753  0.841  0.855  1.0
  Cs  Cs1  1  0.159  0.247  0.645  1.0
  Cs  Cs2  1  0.247  0.159  0.145  1.0
  Cs  Cs3  1  0.841  0.753  0.355  1.0
  Nb  Nb4  1  0.213  0.791  0.526  1.0
  Nb  Nb5  1  0.209  0.787  0.974  1.0
  Nb  Nb6  1  0.787  0.209  0.474  1.0
  Nb  Nb7  1  0.791  0.213  0.026  1.0
  Nb  Nb8  1  0.467  0.533  0.250  1.0
  Nb  Nb9  1  0.533  0.467  0.750  1.0
  Cl  Cl10  1  0.065  0.647  0.616  1.0
  Cl  Cl11  1  0.353  0.935  0.884  1.0
  Cl  Cl12  1  0.935  0.353  0.384  1.0
  Cl  Cl13  1  0.647  0.065  0.116  1.0
  Cl  Cl14  1  0.363  0.931  0.464  1.0
  Cl  Cl15  1  0.069  0.637  0.036  1.0
  Cl  Cl16  1  0.637  0.069  0.536  1.0
  Cl  Cl17  1  0.931  0.363  0.964  1.0
  Cl  Cl18  1  0.291  0.421  0.323  1.0
  Cl  Cl19  1  0.579  0.709  0.177  1.0
  Cl  Cl20  1  0.709  0.579  0.677  1.0
  Cl  Cl21  1  0.421  0.291  0.823  1.0
  Cl  Cl22  1  0.097  0.903  0.750  1.0
  Cl  Cl23  1  0.903  0.097  0.250  1.0
  O  O24  1  0.289  0.712  0.379  1.0
  O  O25  1  0.288  0.711  0.121  1.0
  O  O26  1  0.711  0.288  0.621  1.0
  O  O27  1  0.712  0.289  0.879  1.0
  O  O28  1  0.397  0.604  0.626  1.0
  O  O29  1  0.396  0.603  0.874  1.0
  O  O30  1  0.603  0.396  0.374  1.0
  O  O31  1  0.604  0.397  0.126  1.0
  O  O32  1  0.000  0.000  0.500  1.0
  O  O33  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Cs2Nb3O5Cl7 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 10-coordinate geometry to one Cl(4), three equivalent Cl(1), three equivalent Cl(2), and three equivalent Cl(3) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one Cl(1), one Cl(2), and one Cl(4) atom. In the second Nb site, Nb(2) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Nb(1) and one Nb(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Nb(1) and one Nb(2) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Nb(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a 4-coordinate geometry to two equivalent Cs(1) and two equivalent Nb(1) atoms. In the second Cl site, Cl(1) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Nb(1) atom. In the third Cl site, Cl(2) is bonded in a 4-coordinate geometry to three equivalent Cs(1) and one Nb(1) atom. In the fourth Cl site, Cl(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Nb(2) atom. is represented by the CIF file [CIF]
data_Cs2Nb3Cl7O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.956
_cell_length_b   9.956
_cell_length_c   11.339
_cell_angle_alpha   72.927
_cell_angle_beta   72.927
_cell_angle_gamma   54.244
_symmetry_Int_Tables_number   1
_cell_volume   860.953
_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
  Cs  Cs0  1  0.753  0.841  0.855  1.0
  Cs  Cs1  1  0.159  0.247  0.645  1.0
  Cs  Cs2  1  0.247  0.159  0.145  1.0
  Cs  Cs3  1  0.841  0.753  0.355  1.0
  Nb  Nb4  1  0.213  0.791  0.526  1.0
  Nb  Nb5  1  0.209  0.787  0.974  1.0
  Nb  Nb6  1  0.787  0.209  0.474  1.0
  Nb  Nb7  1  0.791  0.213  0.026  1.0
  Nb  Nb8  1  0.467  0.533  0.250  1.0
  Nb  Nb9  1  0.533  0.467  0.750  1.0
  Cl  Cl10  1  0.065  0.647  0.616  1.0
  Cl  Cl11  1  0.353  0.935  0.884  1.0
  Cl  Cl12  1  0.935  0.353  0.384  1.0
  Cl  Cl13  1  0.647  0.065  0.116  1.0
  Cl  Cl14  1  0.363  0.931  0.464  1.0
  Cl  Cl15  1  0.069  0.637  0.036  1.0
  Cl  Cl16  1  0.637  0.069  0.536  1.0
  Cl  Cl17  1  0.931  0.363  0.964  1.0
  Cl  Cl18  1  0.291  0.421  0.323  1.0
  Cl  Cl19  1  0.579  0.709  0.177  1.0
  Cl  Cl20  1  0.709  0.579  0.677  1.0
  Cl  Cl21  1  0.421  0.291  0.823  1.0
  Cl  Cl22  1  0.097  0.903  0.750  1.0
  Cl  Cl23  1  0.903  0.097  0.250  1.0
  O  O24  1  0.289  0.712  0.379  1.0
  O  O25  1  0.288  0.711  0.121  1.0
  O  O26  1  0.711  0.288  0.621  1.0
  O  O27  1  0.712  0.289  0.879  1.0
  O  O28  1  0.397  0.604  0.626  1.0
  O  O29  1  0.396  0.603  0.874  1.0
  O  O30  1  0.603  0.396  0.374  1.0
  O  O31  1  0.604  0.397  0.126  1.0
  O  O32  1  0.000  0.000  0.500  1.0
  O  O33  1  0.000  0.000  0.000  1.0
[/CIF]
.