The material described by Rb2Nb3O5Cl7 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 9-coordinate geometry to one Cl(3), two equivalent Cl(2), three equivalent Cl(1), and three equivalent Cl(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(2) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one Cl(1), one Cl(3), and one Cl(4) atom. 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(2) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1) and one Nb(2) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Nb(1) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal pyramidal geometry to two equivalent Rb(1) and two equivalent Nb(2) atoms. In the fourth Cl site, Cl(4) is bonded in a 4-coordinate geometry to three equivalent Rb(1) and one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Nb3Cl7O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.751
_cell_length_b   9.751
_cell_length_c   11.324
_cell_angle_alpha   71.347
_cell_angle_beta   71.347
_cell_angle_gamma   55.207
_symmetry_Int_Tables_number   1
_cell_volume   824.694
_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
  Rb  Rb0  1  0.838  0.758  0.856  1.0
  Rb  Rb1  1  0.162  0.242  0.144  1.0
  Rb  Rb2  1  0.242  0.162  0.644  1.0
  Rb  Rb3  1  0.758  0.838  0.356  1.0
  Nb  Nb4  1  0.465  0.535  0.750  1.0
  Nb  Nb5  1  0.214  0.791  0.026  1.0
  Nb  Nb6  1  0.209  0.786  0.474  1.0
  Nb  Nb7  1  0.791  0.214  0.526  1.0
  Nb  Nb8  1  0.535  0.465  0.250  1.0
  Nb  Nb9  1  0.786  0.209  0.974  1.0
  Cl  Cl10  1  0.938  0.360  0.875  1.0
  Cl  Cl11  1  0.062  0.640  0.125  1.0
  Cl  Cl12  1  0.578  0.719  0.669  1.0
  Cl  Cl13  1  0.093  0.907  0.250  1.0
  Cl  Cl14  1  0.363  0.943  0.958  1.0
  Cl  Cl15  1  0.057  0.637  0.542  1.0
  Cl  Cl16  1  0.943  0.363  0.458  1.0
  Cl  Cl17  1  0.719  0.578  0.169  1.0
  Cl  Cl18  1  0.422  0.281  0.331  1.0
  Cl  Cl19  1  0.360  0.938  0.375  1.0
  Cl  Cl20  1  0.907  0.093  0.750  1.0
  Cl  Cl21  1  0.640  0.062  0.625  1.0
  Cl  Cl22  1  0.281  0.422  0.831  1.0
  Cl  Cl23  1  0.637  0.057  0.042  1.0
  O  O24  1  0.713  0.289  0.379  1.0
  O  O25  1  0.601  0.396  0.874  1.0
  O  O26  1  0.399  0.604  0.126  1.0
  O  O27  1  0.711  0.287  0.121  1.0
  O  O28  1  0.289  0.713  0.879  1.0
  O  O29  1  0.000  0.000  0.000  1.0
  O  O30  1  0.287  0.711  0.621  1.0
  O  O31  1  0.396  0.601  0.374  1.0
  O  O32  1  0.604  0.399  0.626  1.0
  O  O33  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by Rb2Nb3O5Cl7 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded in a 9-coordinate geometry to one Cl(3), two equivalent Cl(2), three equivalent Cl(1), and three equivalent Cl(4) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(2) atoms. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one Cl(1), one Cl(3), and one Cl(4) atom. 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(2) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1) and one Nb(2) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Nb(1) atom. In the third Cl site, Cl(3) is bonded in a distorted trigonal pyramidal geometry to two equivalent Rb(1) and two equivalent Nb(2) atoms. In the fourth Cl site, Cl(4) is bonded in a 4-coordinate geometry to three equivalent Rb(1) and one Nb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Nb3Cl7O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.751
_cell_length_b   9.751
_cell_length_c   11.324
_cell_angle_alpha   71.347
_cell_angle_beta   71.347
_cell_angle_gamma   55.207
_symmetry_Int_Tables_number   1
_cell_volume   824.694
_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
  Rb  Rb0  1  0.838  0.758  0.856  1.0
  Rb  Rb1  1  0.162  0.242  0.144  1.0
  Rb  Rb2  1  0.242  0.162  0.644  1.0
  Rb  Rb3  1  0.758  0.838  0.356  1.0
  Nb  Nb4  1  0.465  0.535  0.750  1.0
  Nb  Nb5  1  0.214  0.791  0.026  1.0
  Nb  Nb6  1  0.209  0.786  0.474  1.0
  Nb  Nb7  1  0.791  0.214  0.526  1.0
  Nb  Nb8  1  0.535  0.465  0.250  1.0
  Nb  Nb9  1  0.786  0.209  0.974  1.0
  Cl  Cl10  1  0.938  0.360  0.875  1.0
  Cl  Cl11  1  0.062  0.640  0.125  1.0
  Cl  Cl12  1  0.578  0.719  0.669  1.0
  Cl  Cl13  1  0.093  0.907  0.250  1.0
  Cl  Cl14  1  0.363  0.943  0.958  1.0
  Cl  Cl15  1  0.057  0.637  0.542  1.0
  Cl  Cl16  1  0.943  0.363  0.458  1.0
  Cl  Cl17  1  0.719  0.578  0.169  1.0
  Cl  Cl18  1  0.422  0.281  0.331  1.0
  Cl  Cl19  1  0.360  0.938  0.375  1.0
  Cl  Cl20  1  0.907  0.093  0.750  1.0
  Cl  Cl21  1  0.640  0.062  0.625  1.0
  Cl  Cl22  1  0.281  0.422  0.831  1.0
  Cl  Cl23  1  0.637  0.057  0.042  1.0
  O  O24  1  0.713  0.289  0.379  1.0
  O  O25  1  0.601  0.396  0.874  1.0
  O  O26  1  0.399  0.604  0.126  1.0
  O  O27  1  0.711  0.287  0.121  1.0
  O  O28  1  0.289  0.713  0.879  1.0
  O  O29  1  0.000  0.000  0.000  1.0
  O  O30  1  0.287  0.711  0.621  1.0
  O  O31  1  0.396  0.601  0.374  1.0
  O  O32  1  0.604  0.399  0.626  1.0
  O  O33  1  0.000  0.000  0.500  1.0
[/CIF]
.