The compound described by Cs5Sb8 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. There are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Sb(1), one Sb(3), two equivalent Sb(2), two equivalent Sb(6), and two equivalent Sb(7) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one Sb(5), one Sb(7), two equivalent Sb(8), and three equivalent Sb(2) atoms. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one Sb(1), one Sb(3), one Sb(5), one Sb(6), one Sb(8), and two equivalent Sb(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 7-coordinate geometry to one Sb(3), one Sb(5), one Sb(6), two equivalent Sb(1), and two equivalent Sb(4) atoms. In the fifth Cs site, Cs(5) is bonded in a 8-coordinate geometry to one Sb(2), one Sb(4), one Sb(5), one Sb(6), two equivalent Sb(1), and two equivalent Sb(8) atoms. There are eight inequivalent Sb sites. In the first Sb site, Sb(8) is bonded in a 7-coordinate geometry to one Cs(3), two equivalent Cs(2), two equivalent Cs(5), one Sb(1), and one Sb(5) atom. In the second Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(4), two equivalent Cs(5), one Sb(4), and one Sb(8) atom. In the third Sb site, Sb(2) is bonded in a 8-coordinate geometry to one Cs(5), two equivalent Cs(1), three equivalent Cs(2), one Sb(5), and one Sb(7) atom. In the fourth Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Sb(4), one Sb(5), and one Sb(6) atom. In the fifth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Cs(5), two equivalent Cs(3), two equivalent Cs(4), one Sb(1), and one Sb(3) atom. In the sixth Sb site, Sb(5) is bonded in a 7-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), one Cs(5), one Sb(2), one Sb(3), and one Sb(8) atom. In the seventh Sb site, Sb(6) is bonded in a 7-coordinate geometry to one Cs(3), one Cs(4), one Cs(5), two equivalent Cs(1), one Sb(3), and one Sb(7) atom. In the eighth Sb site, Sb(7) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), one Sb(2), one Sb(6), and one Sb(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs5Sb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.392
_cell_length_b   11.565
_cell_length_c   28.135
_cell_angle_alpha   90.000
_cell_angle_beta   96.979
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2387.469
_cell_formula_units_Z   4
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  0.524  0.430  0.426  1.0
  Cs  Cs1  1  0.259  0.603  0.979  1.0
  Cs  Cs2  1  0.764  0.193  0.689  1.0
  Cs  Cs3  1  0.741  0.397  0.021  1.0
  Cs  Cs4  1  0.289  0.463  0.258  1.0
  Cs  Cs5  1  0.236  0.807  0.311  1.0
  Cs  Cs6  1  0.026  0.185  0.377  1.0
  Cs  Cs7  1  0.289  0.037  0.758  1.0
  Cs  Cs8  1  0.026  0.315  0.877  1.0
  Cs  Cs9  1  0.764  0.307  0.189  1.0
  Cs  Cs10  1  0.974  0.815  0.623  1.0
  Cs  Cs11  1  0.974  0.685  0.123  1.0
  Cs  Cs12  1  0.711  0.537  0.742  1.0
  Cs  Cs13  1  0.236  0.693  0.811  1.0
  Cs  Cs14  1  0.524  0.070  0.926  1.0
  Cs  Cs15  1  0.259  0.897  0.479  1.0
  Cs  Cs16  1  0.476  0.570  0.574  1.0
  Cs  Cs17  1  0.741  0.103  0.521  1.0
  Cs  Cs18  1  0.476  0.930  0.074  1.0
  Cs  Cs19  1  0.711  0.963  0.242  1.0
  Sb  Sb20  1  0.513  0.300  0.817  1.0
  Sb  Sb21  1  0.238  0.248  0.524  1.0
  Sb  Sb22  1  0.696  0.858  0.836  1.0
  Sb  Sb23  1  0.807  0.871  0.744  1.0
  Sb  Sb24  1  0.192  0.361  0.113  1.0
  Sb  Sb25  1  0.988  0.476  0.625  1.0
  Sb  Sb26  1  0.304  0.358  0.664  1.0
  Sb  Sb27  1  0.939  0.403  0.528  1.0
  Sb  Sb28  1  0.487  0.800  0.683  1.0
  Sb  Sb29  1  0.988  0.024  0.125  1.0
  Sb  Sb30  1  0.808  0.861  0.387  1.0
  Sb  Sb31  1  0.513  0.200  0.317  1.0
  Sb  Sb32  1  0.807  0.629  0.244  1.0
  Sb  Sb33  1  0.487  0.700  0.183  1.0
  Sb  Sb34  1  0.012  0.524  0.375  1.0
  Sb  Sb35  1  0.468  0.961  0.609  1.0
  Sb  Sb36  1  0.762  0.748  0.976  1.0
  Sb  Sb37  1  0.762  0.752  0.476  1.0
  Sb  Sb38  1  0.192  0.139  0.613  1.0
  Sb  Sb39  1  0.304  0.142  0.164  1.0
  Sb  Sb40  1  0.193  0.371  0.756  1.0
  Sb  Sb41  1  0.193  0.129  0.256  1.0
  Sb  Sb42  1  0.061  0.597  0.472  1.0
  Sb  Sb43  1  0.468  0.539  0.109  1.0
  Sb  Sb44  1  0.939  0.097  0.028  1.0
  Sb  Sb45  1  0.532  0.461  0.891  1.0
  Sb  Sb46  1  0.012  0.976  0.875  1.0
  Sb  Sb47  1  0.061  0.903  0.972  1.0
  Sb  Sb48  1  0.808  0.639  0.887  1.0
  Sb  Sb49  1  0.532  0.039  0.391  1.0
  Sb  Sb50  1  0.238  0.252  0.024  1.0
  Sb  Sb51  1  0.696  0.642  0.336  1.0
[/CIF]
.
The compound described by Cs5Sb8 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. There are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Sb(1), one Sb(3), two equivalent Sb(2), two equivalent Sb(6), and two equivalent Sb(7) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one Sb(5), one Sb(7), two equivalent Sb(8), and three equivalent Sb(2) atoms. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one Sb(1), one Sb(3), one Sb(5), one Sb(6), one Sb(8), and two equivalent Sb(4) atoms. In the fourth Cs site, Cs(4) is bonded in a 7-coordinate geometry to one Sb(3), one Sb(5), one Sb(6), two equivalent Sb(1), and two equivalent Sb(4) atoms. In the fifth Cs site, Cs(5) is bonded in a 8-coordinate geometry to one Sb(2), one Sb(4), one Sb(5), one Sb(6), two equivalent Sb(1), and two equivalent Sb(8) atoms. There are eight inequivalent Sb sites. In the first Sb site, Sb(8) is bonded in a 7-coordinate geometry to one Cs(3), two equivalent Cs(2), two equivalent Cs(5), one Sb(1), and one Sb(5) atom. In the second Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(3), two equivalent Cs(4), two equivalent Cs(5), one Sb(4), and one Sb(8) atom. In the third Sb site, Sb(2) is bonded in a 8-coordinate geometry to one Cs(5), two equivalent Cs(1), three equivalent Cs(2), one Sb(5), and one Sb(7) atom. In the fourth Sb site, Sb(3) is bonded in a 6-coordinate geometry to one Cs(1), one Cs(3), one Cs(4), one Sb(4), one Sb(5), and one Sb(6) atom. In the fifth Sb site, Sb(4) is bonded in a 7-coordinate geometry to one Cs(5), two equivalent Cs(3), two equivalent Cs(4), one Sb(1), and one Sb(3) atom. In the sixth Sb site, Sb(5) is bonded in a 7-coordinate geometry to one Cs(2), one Cs(3), one Cs(4), one Cs(5), one Sb(2), one Sb(3), and one Sb(8) atom. In the seventh Sb site, Sb(6) is bonded in a 7-coordinate geometry to one Cs(3), one Cs(4), one Cs(5), two equivalent Cs(1), one Sb(3), and one Sb(7) atom. In the eighth Sb site, Sb(7) is bonded in a 6-coordinate geometry to one Cs(2), two equivalent Cs(1), one Sb(2), one Sb(6), and one Sb(7) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs5Sb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.392
_cell_length_b   11.565
_cell_length_c   28.135
_cell_angle_alpha   90.000
_cell_angle_beta   96.979
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2387.469
_cell_formula_units_Z   4
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  0.524  0.430  0.426  1.0
  Cs  Cs1  1  0.259  0.603  0.979  1.0
  Cs  Cs2  1  0.764  0.193  0.689  1.0
  Cs  Cs3  1  0.741  0.397  0.021  1.0
  Cs  Cs4  1  0.289  0.463  0.258  1.0
  Cs  Cs5  1  0.236  0.807  0.311  1.0
  Cs  Cs6  1  0.026  0.185  0.377  1.0
  Cs  Cs7  1  0.289  0.037  0.758  1.0
  Cs  Cs8  1  0.026  0.315  0.877  1.0
  Cs  Cs9  1  0.764  0.307  0.189  1.0
  Cs  Cs10  1  0.974  0.815  0.623  1.0
  Cs  Cs11  1  0.974  0.685  0.123  1.0
  Cs  Cs12  1  0.711  0.537  0.742  1.0
  Cs  Cs13  1  0.236  0.693  0.811  1.0
  Cs  Cs14  1  0.524  0.070  0.926  1.0
  Cs  Cs15  1  0.259  0.897  0.479  1.0
  Cs  Cs16  1  0.476  0.570  0.574  1.0
  Cs  Cs17  1  0.741  0.103  0.521  1.0
  Cs  Cs18  1  0.476  0.930  0.074  1.0
  Cs  Cs19  1  0.711  0.963  0.242  1.0
  Sb  Sb20  1  0.513  0.300  0.817  1.0
  Sb  Sb21  1  0.238  0.248  0.524  1.0
  Sb  Sb22  1  0.696  0.858  0.836  1.0
  Sb  Sb23  1  0.807  0.871  0.744  1.0
  Sb  Sb24  1  0.192  0.361  0.113  1.0
  Sb  Sb25  1  0.988  0.476  0.625  1.0
  Sb  Sb26  1  0.304  0.358  0.664  1.0
  Sb  Sb27  1  0.939  0.403  0.528  1.0
  Sb  Sb28  1  0.487  0.800  0.683  1.0
  Sb  Sb29  1  0.988  0.024  0.125  1.0
  Sb  Sb30  1  0.808  0.861  0.387  1.0
  Sb  Sb31  1  0.513  0.200  0.317  1.0
  Sb  Sb32  1  0.807  0.629  0.244  1.0
  Sb  Sb33  1  0.487  0.700  0.183  1.0
  Sb  Sb34  1  0.012  0.524  0.375  1.0
  Sb  Sb35  1  0.468  0.961  0.609  1.0
  Sb  Sb36  1  0.762  0.748  0.976  1.0
  Sb  Sb37  1  0.762  0.752  0.476  1.0
  Sb  Sb38  1  0.192  0.139  0.613  1.0
  Sb  Sb39  1  0.304  0.142  0.164  1.0
  Sb  Sb40  1  0.193  0.371  0.756  1.0
  Sb  Sb41  1  0.193  0.129  0.256  1.0
  Sb  Sb42  1  0.061  0.597  0.472  1.0
  Sb  Sb43  1  0.468  0.539  0.109  1.0
  Sb  Sb44  1  0.939  0.097  0.028  1.0
  Sb  Sb45  1  0.532  0.461  0.891  1.0
  Sb  Sb46  1  0.012  0.976  0.875  1.0
  Sb  Sb47  1  0.061  0.903  0.972  1.0
  Sb  Sb48  1  0.808  0.639  0.887  1.0
  Sb  Sb49  1  0.532  0.039  0.391  1.0
  Sb  Sb50  1  0.238  0.252  0.024  1.0
  Sb  Sb51  1  0.696  0.642  0.336  1.0
[/CIF]
.