The compound described by Cs3Nb2AsSe11 crystallizes in the monoclinic Cc space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one As(1), one Se(10), one Se(2), one Se(3), one Se(4), one Se(8), one Se(9), two equivalent Se(1), and two equivalent Se(6) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one Se(10), one Se(11), one Se(2), one Se(4), one Se(6), two equivalent Se(7), and two equivalent Se(8) atoms. In the third Cs site, Cs(3) is bonded in a 9-coordinate geometry to one As(1), one Se(11), one Se(4), one Se(8), one Se(9), two equivalent Se(3), and two equivalent Se(7) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(10), one Se(11), one Se(4), one Se(6), one Se(7), and one Se(9) atom. In the second Nb site, Nb(2) is bonded in a distorted pentagonal bipyramidal geometry to one Se(10), one Se(2), one Se(3), one Se(4), one Se(5), one Se(8), and one Se(9) atom. As(1) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(3), one Se(1), one Se(3), and one Se(5) atom. There are eleven inequivalent Se sites. In the first Se site, Se(7) is bonded in a 5-coordinate geometry to two equivalent Cs(2), two equivalent Cs(3), and one Nb(1) atom. In the second Se site, Se(8) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), two equivalent Cs(2), and one Nb(2) atom. In the third Se site, Se(9) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(3), one Nb(1), one Nb(2), and one Se(11) atom. In the fourth Se site, Se(10) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Nb(1), one Nb(2), and one Se(2) atom. In the fifth Se site, Se(11) is bonded in a 4-coordinate geometry to one Cs(2), one Cs(3), one Nb(1), and one Se(9) atom. In the sixth Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Nb(1), and one As(1) atom. In the seventh Se site, Se(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Nb(2), and one Se(10) atom. In the eighth Se site, Se(3) is bonded in a distorted L-shaped geometry to one Cs(1), two equivalent Cs(3), one Nb(2), and one As(1) atom. In the ninth Se site, Se(4) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Nb(1), and one Nb(2) atom. In the tenth Se site, Se(5) is bonded in an L-shaped geometry to one Nb(2) and one As(1) atom. In the eleventh Se site, Se(6) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Nb2AsSe11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.621
_cell_length_b   10.621
_cell_length_c   10.435
_cell_angle_alpha   84.683
_cell_angle_beta   84.683
_cell_angle_gamma   85.084
_symmetry_Int_Tables_number   1
_cell_volume   1163.454
_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  0.355  0.201  0.655  1.0
  Cs  Cs1  1  0.201  0.355  0.155  1.0
  Cs  Cs2  1  0.955  0.819  0.396  1.0
  Cs  Cs3  1  0.819  0.955  0.896  1.0
  Cs  Cs4  1  0.559  0.713  0.567  1.0
  Cs  Cs5  1  0.713  0.559  0.067  1.0
  Nb  Nb6  1  0.458  0.919  0.169  1.0
  Nb  Nb7  1  0.208  0.805  0.984  1.0
  Nb  Nb8  1  0.919  0.458  0.669  1.0
  Nb  Nb9  1  0.805  0.208  0.484  1.0
  As  As10  1  0.588  0.252  0.227  1.0
  As  As11  1  0.252  0.588  0.727  1.0
  Se  Se12  1  0.436  0.107  0.325  1.0
  Se  Se13  1  0.137  0.044  0.926  1.0
  Se  Se14  1  0.378  0.611  0.911  1.0
  Se  Se15  1  0.891  0.468  0.419  1.0
  Se  Se16  1  0.807  0.171  0.235  1.0
  Se  Se17  1  0.487  0.099  0.985  1.0
  Se  Se18  1  0.611  0.378  0.411  1.0
  Se  Se19  1  0.171  0.807  0.735  1.0
  Se  Se20  1  0.664  0.843  0.225  1.0
  Se  Se21  1  0.030  0.694  0.064  1.0
  Se  Se22  1  0.694  0.030  0.564  1.0
  Se  Se23  1  0.099  0.487  0.485  1.0
  Se  Se24  1  0.699  0.350  0.682  1.0
  Se  Se25  1  0.468  0.891  0.919  1.0
  Se  Se26  1  0.187  0.984  0.142  1.0
  Se  Se27  1  0.984  0.187  0.642  1.0
  Se  Se28  1  0.843  0.664  0.725  1.0
  Se  Se29  1  0.824  0.308  0.863  1.0
  Se  Se30  1  0.308  0.824  0.363  1.0
  Se  Se31  1  0.044  0.137  0.426  1.0
  Se  Se32  1  0.350  0.699  0.182  1.0
  Se  Se33  1  0.107  0.436  0.825  1.0
[/CIF]
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The compound described by Cs3Nb2AsSe11 crystallizes in the monoclinic Cc space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 11-coordinate geometry to one As(1), one Se(10), one Se(2), one Se(3), one Se(4), one Se(8), one Se(9), two equivalent Se(1), and two equivalent Se(6) atoms. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one Se(10), one Se(11), one Se(2), one Se(4), one Se(6), two equivalent Se(7), and two equivalent Se(8) atoms. In the third Cs site, Cs(3) is bonded in a 9-coordinate geometry to one As(1), one Se(11), one Se(4), one Se(8), one Se(9), two equivalent Se(3), and two equivalent Se(7) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 7-coordinate geometry to one Se(1), one Se(10), one Se(11), one Se(4), one Se(6), one Se(7), and one Se(9) atom. In the second Nb site, Nb(2) is bonded in a distorted pentagonal bipyramidal geometry to one Se(10), one Se(2), one Se(3), one Se(4), one Se(5), one Se(8), and one Se(9) atom. As(1) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(3), one Se(1), one Se(3), and one Se(5) atom. There are eleven inequivalent Se sites. In the first Se site, Se(7) is bonded in a 5-coordinate geometry to two equivalent Cs(2), two equivalent Cs(3), and one Nb(1) atom. In the second Se site, Se(8) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(3), two equivalent Cs(2), and one Nb(2) atom. In the third Se site, Se(9) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(3), one Nb(1), one Nb(2), and one Se(11) atom. In the fourth Se site, Se(10) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Nb(1), one Nb(2), and one Se(2) atom. In the fifth Se site, Se(11) is bonded in a 4-coordinate geometry to one Cs(2), one Cs(3), one Nb(1), and one Se(9) atom. In the sixth Se site, Se(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Nb(1), and one As(1) atom. In the seventh Se site, Se(2) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one Nb(2), and one Se(10) atom. In the eighth Se site, Se(3) is bonded in a distorted L-shaped geometry to one Cs(1), two equivalent Cs(3), one Nb(2), and one As(1) atom. In the ninth Se site, Se(4) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Nb(1), and one Nb(2) atom. In the tenth Se site, Se(5) is bonded in an L-shaped geometry to one Nb(2) and one As(1) atom. In the eleventh Se site, Se(6) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Nb2AsSe11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.621
_cell_length_b   10.621
_cell_length_c   10.435
_cell_angle_alpha   84.683
_cell_angle_beta   84.683
_cell_angle_gamma   85.084
_symmetry_Int_Tables_number   1
_cell_volume   1163.454
_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  0.355  0.201  0.655  1.0
  Cs  Cs1  1  0.201  0.355  0.155  1.0
  Cs  Cs2  1  0.955  0.819  0.396  1.0
  Cs  Cs3  1  0.819  0.955  0.896  1.0
  Cs  Cs4  1  0.559  0.713  0.567  1.0
  Cs  Cs5  1  0.713  0.559  0.067  1.0
  Nb  Nb6  1  0.458  0.919  0.169  1.0
  Nb  Nb7  1  0.208  0.805  0.984  1.0
  Nb  Nb8  1  0.919  0.458  0.669  1.0
  Nb  Nb9  1  0.805  0.208  0.484  1.0
  As  As10  1  0.588  0.252  0.227  1.0
  As  As11  1  0.252  0.588  0.727  1.0
  Se  Se12  1  0.436  0.107  0.325  1.0
  Se  Se13  1  0.137  0.044  0.926  1.0
  Se  Se14  1  0.378  0.611  0.911  1.0
  Se  Se15  1  0.891  0.468  0.419  1.0
  Se  Se16  1  0.807  0.171  0.235  1.0
  Se  Se17  1  0.487  0.099  0.985  1.0
  Se  Se18  1  0.611  0.378  0.411  1.0
  Se  Se19  1  0.171  0.807  0.735  1.0
  Se  Se20  1  0.664  0.843  0.225  1.0
  Se  Se21  1  0.030  0.694  0.064  1.0
  Se  Se22  1  0.694  0.030  0.564  1.0
  Se  Se23  1  0.099  0.487  0.485  1.0
  Se  Se24  1  0.699  0.350  0.682  1.0
  Se  Se25  1  0.468  0.891  0.919  1.0
  Se  Se26  1  0.187  0.984  0.142  1.0
  Se  Se27  1  0.984  0.187  0.642  1.0
  Se  Se28  1  0.843  0.664  0.725  1.0
  Se  Se29  1  0.824  0.308  0.863  1.0
  Se  Se30  1  0.308  0.824  0.363  1.0
  Se  Se31  1  0.044  0.137  0.426  1.0
  Se  Se32  1  0.350  0.699  0.182  1.0
  Se  Se33  1  0.107  0.436  0.825  1.0
[/CIF]
.