The material structure described by Cs5GeAs3 crystallizes in the orthorhombic Pnma space group. There are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to two equivalent As(3) and three equivalent As(1) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to two equivalent Ge(1), one As(3), two equivalent As(1), and two equivalent As(2) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one As(3), two equivalent As(2), and three equivalent As(1) atoms. In the fourth Cs site, Cs(4) is bonded in a 3-coordinate geometry to two equivalent As(2) and three equivalent As(3) atoms. In the fifth Cs site, Cs(5) is bonded in a 4-coordinate geometry to one As(1), one As(2), and two equivalent As(3) atoms. Ge(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(2), one As(1), one As(2), and one As(3) atom. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 10-coordinate geometry to one Cs(5), two equivalent Cs(2), three equivalent Cs(1), three equivalent Cs(3), and one Ge(1) atom. In the second As site, As(2) is bonded in a 1-coordinate geometry to one Cs(5), two equivalent Cs(2), two equivalent Cs(3), two equivalent Cs(4), and one Ge(1) atom. In the third As site, As(3) is bonded in a 10-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(1), two equivalent Cs(5), three equivalent Cs(4), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs5GeAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.065
_cell_length_b   14.743
_cell_length_c   16.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1444.570
_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  0.750  0.146  0.547  1.0
  Cs  Cs1  1  0.250  0.778  0.707  1.0
  Cs  Cs2  1  0.250  0.051  0.654  1.0
  Cs  Cs3  1  0.250  0.065  0.950  1.0
  Cs  Cs4  1  0.750  0.949  0.346  1.0
  Cs  Cs5  1  0.250  0.620  0.314  1.0
  Cs  Cs6  1  0.750  0.435  0.450  1.0
  Cs  Cs7  1  0.750  0.646  0.953  1.0
  Cs  Cs8  1  0.250  0.565  0.550  1.0
  Cs  Cs9  1  0.250  0.354  0.047  1.0
  Cs  Cs10  1  0.250  0.551  0.846  1.0
  Cs  Cs11  1  0.750  0.222  0.293  1.0
  Cs  Cs12  1  0.750  0.880  0.814  1.0
  Cs  Cs13  1  0.750  0.449  0.154  1.0
  Cs  Cs14  1  0.250  0.854  0.453  1.0
  Cs  Cs15  1  0.250  0.278  0.793  1.0
  Cs  Cs16  1  0.750  0.380  0.686  1.0
  Cs  Cs17  1  0.250  0.120  0.186  1.0
  Cs  Cs18  1  0.750  0.935  0.050  1.0
  Cs  Cs19  1  0.750  0.722  0.207  1.0
  Ge  Ge20  1  0.250  0.761  0.068  1.0
  Ge  Ge21  1  0.750  0.239  0.932  1.0
  Ge  Ge22  1  0.750  0.739  0.568  1.0
  Ge  Ge23  1  0.250  0.261  0.432  1.0
  As  As24  1  0.750  0.399  0.911  1.0
  As  As25  1  0.750  0.634  0.680  1.0
  As  As26  1  0.250  0.601  0.089  1.0
  As  As27  1  0.250  0.101  0.411  1.0
  As  As28  1  0.250  0.810  0.929  1.0
  As  As29  1  0.250  0.866  0.180  1.0
  As  As30  1  0.750  0.190  0.071  1.0
  As  As31  1  0.750  0.899  0.589  1.0
  As  As32  1  0.750  0.134  0.820  1.0
  As  As33  1  0.250  0.310  0.571  1.0
  As  As34  1  0.250  0.366  0.320  1.0
  As  As35  1  0.750  0.690  0.429  1.0
[/CIF]
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The material structure described by Cs5GeAs3 crystallizes in the orthorhombic Pnma space group. There are five inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 5-coordinate geometry to two equivalent As(3) and three equivalent As(1) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to two equivalent Ge(1), one As(3), two equivalent As(1), and two equivalent As(2) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one As(3), two equivalent As(2), and three equivalent As(1) atoms. In the fourth Cs site, Cs(4) is bonded in a 3-coordinate geometry to two equivalent As(2) and three equivalent As(3) atoms. In the fifth Cs site, Cs(5) is bonded in a 4-coordinate geometry to one As(1), one As(2), and two equivalent As(3) atoms. Ge(1) is bonded in a distorted trigonal planar geometry to two equivalent Cs(2), one As(1), one As(2), and one As(3) atom. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 10-coordinate geometry to one Cs(5), two equivalent Cs(2), three equivalent Cs(1), three equivalent Cs(3), and one Ge(1) atom. In the second As site, As(2) is bonded in a 1-coordinate geometry to one Cs(5), two equivalent Cs(2), two equivalent Cs(3), two equivalent Cs(4), and one Ge(1) atom. In the third As site, As(3) is bonded in a 10-coordinate geometry to one Cs(2), one Cs(3), two equivalent Cs(1), two equivalent Cs(5), three equivalent Cs(4), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs5GeAs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.065
_cell_length_b   14.743
_cell_length_c   16.157
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1444.570
_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  0.750  0.146  0.547  1.0
  Cs  Cs1  1  0.250  0.778  0.707  1.0
  Cs  Cs2  1  0.250  0.051  0.654  1.0
  Cs  Cs3  1  0.250  0.065  0.950  1.0
  Cs  Cs4  1  0.750  0.949  0.346  1.0
  Cs  Cs5  1  0.250  0.620  0.314  1.0
  Cs  Cs6  1  0.750  0.435  0.450  1.0
  Cs  Cs7  1  0.750  0.646  0.953  1.0
  Cs  Cs8  1  0.250  0.565  0.550  1.0
  Cs  Cs9  1  0.250  0.354  0.047  1.0
  Cs  Cs10  1  0.250  0.551  0.846  1.0
  Cs  Cs11  1  0.750  0.222  0.293  1.0
  Cs  Cs12  1  0.750  0.880  0.814  1.0
  Cs  Cs13  1  0.750  0.449  0.154  1.0
  Cs  Cs14  1  0.250  0.854  0.453  1.0
  Cs  Cs15  1  0.250  0.278  0.793  1.0
  Cs  Cs16  1  0.750  0.380  0.686  1.0
  Cs  Cs17  1  0.250  0.120  0.186  1.0
  Cs  Cs18  1  0.750  0.935  0.050  1.0
  Cs  Cs19  1  0.750  0.722  0.207  1.0
  Ge  Ge20  1  0.250  0.761  0.068  1.0
  Ge  Ge21  1  0.750  0.239  0.932  1.0
  Ge  Ge22  1  0.750  0.739  0.568  1.0
  Ge  Ge23  1  0.250  0.261  0.432  1.0
  As  As24  1  0.750  0.399  0.911  1.0
  As  As25  1  0.750  0.634  0.680  1.0
  As  As26  1  0.250  0.601  0.089  1.0
  As  As27  1  0.250  0.101  0.411  1.0
  As  As28  1  0.250  0.810  0.929  1.0
  As  As29  1  0.250  0.866  0.180  1.0
  As  As30  1  0.750  0.190  0.071  1.0
  As  As31  1  0.750  0.899  0.589  1.0
  As  As32  1  0.750  0.134  0.820  1.0
  As  As33  1  0.250  0.310  0.571  1.0
  As  As34  1  0.250  0.366  0.320  1.0
  As  As35  1  0.750  0.690  0.429  1.0
[/CIF]
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