The crystal structure described by RbNb4Br11 crystallizes in the orthorhombic Pmma space group. Rb(1) is bonded in a 12-coordinate geometry to two equivalent Br(3), two equivalent Br(4), four equivalent Br(2), and four equivalent Br(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one Br(1), one Br(4), two equivalent Br(2), and two equivalent Br(5) atoms. In the second Nb site, Nb(2) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form distorted edge-sharing NbBr6 octahedra. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Nb(2) atoms. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one Rb(1), one Nb(1), and one Nb(2) atom. In the third Br site, Br(3) is bonded in a distorted water-like geometry to one Rb(1) and two equivalent Nb(2) atoms. In the fourth Br site, Br(4) is bonded to two equivalent Rb(1) and two equivalent Nb(1) atoms to form distorted corner-sharing BrRb2Nb2 trigonal pyramids. In the fifth Br site, Br(5) is bonded in a distorted L-shaped geometry to two equivalent Rb(1) and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbNb4Br11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.160
_cell_length_b   7.346
_cell_length_c   17.040
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   896.323
_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  0.006  0.500  0.750  1.0
  Rb  Rb1  1  0.994  0.500  0.250  1.0
  Nb  Nb2  1  0.382  0.000  0.639  1.0
  Nb  Nb3  1  0.618  0.000  0.361  1.0
  Nb  Nb4  1  0.382  0.000  0.861  1.0
  Nb  Nb5  1  0.618  0.000  0.139  1.0
  Nb  Nb6  1  0.500  0.207  0.500  1.0
  Nb  Nb7  1  0.500  0.207  0.000  1.0
  Nb  Nb8  1  0.500  0.793  0.500  1.0
  Nb  Nb9  1  0.500  0.793  0.000  1.0
  Br  Br10  1  0.720  0.000  0.587  1.0
  Br  Br11  1  0.280  0.000  0.413  1.0
  Br  Br12  1  0.720  0.000  0.913  1.0
  Br  Br13  1  0.280  0.000  0.087  1.0
  Br  Br14  1  0.183  0.745  0.579  1.0
  Br  Br15  1  0.817  0.745  0.421  1.0
  Br  Br16  1  0.183  0.745  0.921  1.0
  Br  Br17  1  0.817  0.745  0.079  1.0
  Br  Br18  1  0.817  0.255  0.421  1.0
  Br  Br19  1  0.183  0.255  0.579  1.0
  Br  Br20  1  0.817  0.255  0.079  1.0
  Br  Br21  1  0.183  0.255  0.921  1.0
  Br  Br22  1  0.363  0.500  0.415  1.0
  Br  Br23  1  0.637  0.500  0.585  1.0
  Br  Br24  1  0.363  0.500  0.085  1.0
  Br  Br25  1  0.637  0.500  0.915  1.0
  Br  Br26  1  0.091  0.000  0.750  1.0
  Br  Br27  1  0.909  0.000  0.250  1.0
  Br  Br28  1  0.515  0.236  0.750  1.0
  Br  Br29  1  0.485  0.236  0.250  1.0
  Br  Br30  1  0.485  0.764  0.250  1.0
  Br  Br31  1  0.515  0.764  0.750  1.0
[/CIF]
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The crystal structure described by RbNb4Br11 crystallizes in the orthorhombic Pmma space group. Rb(1) is bonded in a 12-coordinate geometry to two equivalent Br(3), two equivalent Br(4), four equivalent Br(2), and four equivalent Br(5) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one Br(1), one Br(4), two equivalent Br(2), and two equivalent Br(5) atoms. In the second Nb site, Nb(2) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form distorted edge-sharing NbBr6 octahedra. There are five inequivalent Br sites. In the first Br site, Br(1) is bonded in a 3-coordinate geometry to one Nb(1) and two equivalent Nb(2) atoms. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one Rb(1), one Nb(1), and one Nb(2) atom. In the third Br site, Br(3) is bonded in a distorted water-like geometry to one Rb(1) and two equivalent Nb(2) atoms. In the fourth Br site, Br(4) is bonded to two equivalent Rb(1) and two equivalent Nb(1) atoms to form distorted corner-sharing BrRb2Nb2 trigonal pyramids. In the fifth Br site, Br(5) is bonded in a distorted L-shaped geometry to two equivalent Rb(1) and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbNb4Br11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.160
_cell_length_b   7.346
_cell_length_c   17.040
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   896.323
_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  0.006  0.500  0.750  1.0
  Rb  Rb1  1  0.994  0.500  0.250  1.0
  Nb  Nb2  1  0.382  0.000  0.639  1.0
  Nb  Nb3  1  0.618  0.000  0.361  1.0
  Nb  Nb4  1  0.382  0.000  0.861  1.0
  Nb  Nb5  1  0.618  0.000  0.139  1.0
  Nb  Nb6  1  0.500  0.207  0.500  1.0
  Nb  Nb7  1  0.500  0.207  0.000  1.0
  Nb  Nb8  1  0.500  0.793  0.500  1.0
  Nb  Nb9  1  0.500  0.793  0.000  1.0
  Br  Br10  1  0.720  0.000  0.587  1.0
  Br  Br11  1  0.280  0.000  0.413  1.0
  Br  Br12  1  0.720  0.000  0.913  1.0
  Br  Br13  1  0.280  0.000  0.087  1.0
  Br  Br14  1  0.183  0.745  0.579  1.0
  Br  Br15  1  0.817  0.745  0.421  1.0
  Br  Br16  1  0.183  0.745  0.921  1.0
  Br  Br17  1  0.817  0.745  0.079  1.0
  Br  Br18  1  0.817  0.255  0.421  1.0
  Br  Br19  1  0.183  0.255  0.579  1.0
  Br  Br20  1  0.817  0.255  0.079  1.0
  Br  Br21  1  0.183  0.255  0.921  1.0
  Br  Br22  1  0.363  0.500  0.415  1.0
  Br  Br23  1  0.637  0.500  0.585  1.0
  Br  Br24  1  0.363  0.500  0.085  1.0
  Br  Br25  1  0.637  0.500  0.915  1.0
  Br  Br26  1  0.091  0.000  0.750  1.0
  Br  Br27  1  0.909  0.000  0.250  1.0
  Br  Br28  1  0.515  0.236  0.750  1.0
  Br  Br29  1  0.485  0.236  0.250  1.0
  Br  Br30  1  0.485  0.764  0.250  1.0
  Br  Br31  1  0.515  0.764  0.750  1.0
[/CIF]
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