The compound described by Cs7(InAs2)3 crystallizes in the triclinic P-1 space group. There are seven inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one In(3), two equivalent In(2), one As(2), one As(3), one As(5), and one As(6) atom. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one In(1), one In(2), one In(3), one As(1), one As(2), one As(3), one As(4), one As(5), and one As(6) atom. In the third Cs site, Cs(3) is bonded in a 2-coordinate geometry to one As(1), one As(5), two equivalent As(2), and two equivalent As(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 5-coordinate geometry to one In(2), one In(3), one As(2), one As(6), and two equivalent As(5) atoms. In the fifth Cs site, Cs(5) is bonded in a 6-coordinate geometry to one In(1), one In(3), one As(1), one As(2), one As(3), and two equivalent As(4) atoms. In the sixth Cs site, Cs(6) is bonded in a 7-coordinate geometry to two equivalent In(1), two equivalent In(3), one As(4), and two equivalent As(6) atoms. In the seventh Cs site, Cs(7) is bonded in a 5-coordinate geometry to two equivalent In(1), one As(2), one As(3), and one As(6) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Cs(2), one Cs(5), two equivalent Cs(6), two equivalent Cs(7), one As(3), one As(4), and one As(6) atom. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Cs(2), one Cs(4), two equivalent Cs(1), one As(3), one As(5), and one As(6) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(5), two equivalent Cs(6), one As(4), one As(5), and one As(6) atom. There are six inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to one Cs(2), one Cs(3), one Cs(5), one As(2), one As(3), one As(4), and one As(5) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(5), one Cs(7), two equivalent Cs(3), and one As(1) atom. In the third As site, As(3) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(5), one Cs(7), two equivalent Cs(3), one In(1), one In(2), and one As(1) atom. In the fourth As site, As(4) is bonded in a 7-coordinate geometry to one Cs(2), one Cs(6), two equivalent Cs(5), one In(1), one In(3), and one As(1) atom. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), one In(2), one In(3), and one As(1) atom. In the sixth As site, As(6) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(7), two equivalent Cs(6), one In(1), one In(2), and one In(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs7(InAs2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.892
_cell_length_b   9.875
_cell_length_c   15.073
_cell_angle_alpha   85.367
_cell_angle_beta   85.609
_cell_angle_gamma   87.325
_symmetry_Int_Tables_number   1
_cell_volume   1314.234
_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  0.814  0.815  0.129  1.0
  Cs  Cs1  1  0.186  0.185  0.871  1.0
  Cs  Cs2  1  0.277  0.262  0.250  1.0
  Cs  Cs3  1  0.723  0.738  0.750  1.0
  Cs  Cs4  1  0.745  0.502  0.981  1.0
  Cs  Cs5  1  0.255  0.498  0.019  1.0
  Cs  Cs6  1  0.690  0.085  0.884  1.0
  Cs  Cs7  1  0.310  0.915  0.116  1.0
  Cs  Cs8  1  0.691  0.656  0.394  1.0
  Cs  Cs9  1  0.309  0.344  0.606  1.0
  Cs  Cs10  1  0.757  0.992  0.532  1.0
  Cs  Cs11  1  0.243  0.008  0.468  1.0
  Cs  Cs12  1  0.826  0.372  0.637  1.0
  Cs  Cs13  1  0.174  0.628  0.363  1.0
  In  In14  1  0.915  0.272  0.377  1.0
  In  In15  1  0.085  0.728  0.623  1.0
  In  In16  1  0.943  0.183  0.132  1.0
  In  In17  1  0.057  0.817  0.868  1.0
  In  In18  1  0.635  0.044  0.297  1.0
  In  In19  1  0.365  0.956  0.703  1.0
  As  As20  1  0.639  0.401  0.227  1.0
  As  As21  1  0.361  0.599  0.773  1.0
  As  As22  1  0.486  0.600  0.192  1.0
  As  As23  1  0.514  0.400  0.808  1.0
  As  As24  1  0.911  0.448  0.213  1.0
  As  As25  1  0.089  0.552  0.787  1.0
  As  As26  1  0.589  0.301  0.385  1.0
  As  As27  1  0.411  0.699  0.615  1.0
  As  As28  1  0.621  0.208  0.125  1.0
  As  As29  1  0.379  0.792  0.875  1.0
  As  As30  1  0.960  0.010  0.298  1.0
  As  As31  1  0.040  0.990  0.702  1.0
[/CIF]
.
The compound described by Cs7(InAs2)3 crystallizes in the triclinic P-1 space group. There are seven inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to one In(3), two equivalent In(2), one As(2), one As(3), one As(5), and one As(6) atom. In the second Cs site, Cs(2) is bonded in a 9-coordinate geometry to one In(1), one In(2), one In(3), one As(1), one As(2), one As(3), one As(4), one As(5), and one As(6) atom. In the third Cs site, Cs(3) is bonded in a 2-coordinate geometry to one As(1), one As(5), two equivalent As(2), and two equivalent As(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 5-coordinate geometry to one In(2), one In(3), one As(2), one As(6), and two equivalent As(5) atoms. In the fifth Cs site, Cs(5) is bonded in a 6-coordinate geometry to one In(1), one In(3), one As(1), one As(2), one As(3), and two equivalent As(4) atoms. In the sixth Cs site, Cs(6) is bonded in a 7-coordinate geometry to two equivalent In(1), two equivalent In(3), one As(4), and two equivalent As(6) atoms. In the seventh Cs site, Cs(7) is bonded in a 5-coordinate geometry to two equivalent In(1), one As(2), one As(3), and one As(6) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to one Cs(2), one Cs(5), two equivalent Cs(6), two equivalent Cs(7), one As(3), one As(4), and one As(6) atom. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Cs(2), one Cs(4), two equivalent Cs(1), one As(3), one As(5), and one As(6) atom. In the third In site, In(3) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(5), two equivalent Cs(6), one As(4), one As(5), and one As(6) atom. There are six inequivalent As sites. In the first As site, As(1) is bonded in a 7-coordinate geometry to one Cs(2), one Cs(3), one Cs(5), one As(2), one As(3), one As(4), and one As(5) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(5), one Cs(7), two equivalent Cs(3), and one As(1) atom. In the third As site, As(3) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(5), one Cs(7), two equivalent Cs(3), one In(1), one In(2), and one As(1) atom. In the fourth As site, As(4) is bonded in a 7-coordinate geometry to one Cs(2), one Cs(6), two equivalent Cs(5), one In(1), one In(3), and one As(1) atom. In the fifth As site, As(5) is bonded in a 8-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), two equivalent Cs(4), one In(2), one In(3), and one As(1) atom. In the sixth As site, As(6) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(4), one Cs(7), two equivalent Cs(6), one In(1), one In(2), and one In(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs7(InAs2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.892
_cell_length_b   9.875
_cell_length_c   15.073
_cell_angle_alpha   85.367
_cell_angle_beta   85.609
_cell_angle_gamma   87.325
_symmetry_Int_Tables_number   1
_cell_volume   1314.234
_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  0.814  0.815  0.129  1.0
  Cs  Cs1  1  0.186  0.185  0.871  1.0
  Cs  Cs2  1  0.277  0.262  0.250  1.0
  Cs  Cs3  1  0.723  0.738  0.750  1.0
  Cs  Cs4  1  0.745  0.502  0.981  1.0
  Cs  Cs5  1  0.255  0.498  0.019  1.0
  Cs  Cs6  1  0.690  0.085  0.884  1.0
  Cs  Cs7  1  0.310  0.915  0.116  1.0
  Cs  Cs8  1  0.691  0.656  0.394  1.0
  Cs  Cs9  1  0.309  0.344  0.606  1.0
  Cs  Cs10  1  0.757  0.992  0.532  1.0
  Cs  Cs11  1  0.243  0.008  0.468  1.0
  Cs  Cs12  1  0.826  0.372  0.637  1.0
  Cs  Cs13  1  0.174  0.628  0.363  1.0
  In  In14  1  0.915  0.272  0.377  1.0
  In  In15  1  0.085  0.728  0.623  1.0
  In  In16  1  0.943  0.183  0.132  1.0
  In  In17  1  0.057  0.817  0.868  1.0
  In  In18  1  0.635  0.044  0.297  1.0
  In  In19  1  0.365  0.956  0.703  1.0
  As  As20  1  0.639  0.401  0.227  1.0
  As  As21  1  0.361  0.599  0.773  1.0
  As  As22  1  0.486  0.600  0.192  1.0
  As  As23  1  0.514  0.400  0.808  1.0
  As  As24  1  0.911  0.448  0.213  1.0
  As  As25  1  0.089  0.552  0.787  1.0
  As  As26  1  0.589  0.301  0.385  1.0
  As  As27  1  0.411  0.699  0.615  1.0
  As  As28  1  0.621  0.208  0.125  1.0
  As  As29  1  0.379  0.792  0.875  1.0
  As  As30  1  0.960  0.010  0.298  1.0
  As  As31  1  0.040  0.990  0.702  1.0
[/CIF]
.