The material described by Cs4Ge(PS3)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one S(2), one S(3), two equivalent S(4), three equivalent S(1), and three equivalent S(5) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one S(1), one S(3), one S(4), one S(5), three equivalent S(2), and three equivalent S(6) atoms. Ge(1) is bonded in a tetrahedral geometry to two equivalent S(3) and two equivalent S(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one P(2), one S(1), one S(2), and one S(3) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one P(1), one S(4), one S(5), and one S(6) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one P(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Cs(1), three equivalent Cs(2), and one P(1) atom. In the third S site, S(3) is bonded in a distorted L-shaped geometry to one Cs(1), one Cs(2), one Ge(1), and one P(1) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one P(2) atom. In the fifth S site, S(5) is bonded in a 1-coordinate geometry to one Cs(2), three equivalent Cs(1), and one P(2) atom. In the sixth S site, S(6) is bonded in a distorted water-like geometry to three equivalent Cs(2), one Ge(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs4Ge(PS3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.703
_cell_length_b   7.703
_cell_length_c   24.570
_cell_angle_alpha   79.736
_cell_angle_beta   79.736
_cell_angle_gamma   66.517
_symmetry_Int_Tables_number   1
_cell_volume   1306.527
_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  0.823  0.794  0.050  1.0
  Cs  Cs1  1  0.206  0.177  0.450  1.0
  Cs  Cs2  1  0.177  0.206  0.950  1.0
  Cs  Cs3  1  0.794  0.823  0.550  1.0
  Cs  Cs4  1  0.650  0.538  0.313  1.0
  Cs  Cs5  1  0.462  0.350  0.187  1.0
  Cs  Cs6  1  0.350  0.462  0.687  1.0
  Cs  Cs7  1  0.538  0.650  0.813  1.0
  Ge  Ge8  1  0.005  0.995  0.250  1.0
  Ge  Ge9  1  0.995  0.005  0.750  1.0
  P  P10  1  0.099  0.733  0.368  1.0
  P  P11  1  0.267  0.901  0.132  1.0
  P  P12  1  0.901  0.267  0.632  1.0
  P  P13  1  0.733  0.099  0.868  1.0
  P  P14  1  0.074  0.211  0.116  1.0
  P  P15  1  0.789  0.926  0.384  1.0
  P  P16  1  0.926  0.789  0.884  1.0
  P  P17  1  0.211  0.074  0.616  1.0
  S  S18  1  0.213  0.673  0.438  1.0
  S  S19  1  0.327  0.787  0.062  1.0
  S  S20  1  0.787  0.327  0.562  1.0
  S  S21  1  0.673  0.213  0.938  1.0
  S  S22  1  0.128  0.524  0.327  1.0
  S  S23  1  0.476  0.872  0.173  1.0
  S  S24  1  0.872  0.476  0.673  1.0
  S  S25  1  0.524  0.128  0.827  1.0
  S  S26  1  0.067  0.800  0.186  1.0
  S  S27  1  0.200  0.933  0.314  1.0
  S  S28  1  0.933  0.200  0.814  1.0
  S  S29  1  0.800  0.067  0.686  1.0
  S  S30  1  0.231  0.355  0.079  1.0
  S  S31  1  0.645  0.769  0.421  1.0
  S  S32  1  0.769  0.645  0.921  1.0
  S  S33  1  0.355  0.231  0.579  1.0
  S  S34  1  0.851  0.241  0.081  1.0
  S  S35  1  0.759  0.149  0.419  1.0
  S  S36  1  0.149  0.759  0.919  1.0
  S  S37  1  0.241  0.851  0.581  1.0
  S  S38  1  0.992  0.276  0.203  1.0
  S  S39  1  0.724  0.008  0.297  1.0
  S  S40  1  0.008  0.724  0.797  1.0
  S  S41  1  0.276  0.992  0.703  1.0
[/CIF]
.
The material described by Cs4Ge(PS3)4 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one S(2), one S(3), two equivalent S(4), three equivalent S(1), and three equivalent S(5) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one S(1), one S(3), one S(4), one S(5), three equivalent S(2), and three equivalent S(6) atoms. Ge(1) is bonded in a tetrahedral geometry to two equivalent S(3) and two equivalent S(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one P(2), one S(1), one S(2), and one S(3) atom. In the second P site, P(2) is bonded in a 4-coordinate geometry to one P(1), one S(4), one S(5), and one S(6) atom. There are six inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one Cs(2), three equivalent Cs(1), and one P(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one Cs(1), three equivalent Cs(2), and one P(1) atom. In the third S site, S(3) is bonded in a distorted L-shaped geometry to one Cs(1), one Cs(2), one Ge(1), and one P(1) atom. In the fourth S site, S(4) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), and one P(2) atom. In the fifth S site, S(5) is bonded in a 1-coordinate geometry to one Cs(2), three equivalent Cs(1), and one P(2) atom. In the sixth S site, S(6) is bonded in a distorted water-like geometry to three equivalent Cs(2), one Ge(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs4Ge(PS3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.703
_cell_length_b   7.703
_cell_length_c   24.570
_cell_angle_alpha   79.736
_cell_angle_beta   79.736
_cell_angle_gamma   66.517
_symmetry_Int_Tables_number   1
_cell_volume   1306.527
_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  0.823  0.794  0.050  1.0
  Cs  Cs1  1  0.206  0.177  0.450  1.0
  Cs  Cs2  1  0.177  0.206  0.950  1.0
  Cs  Cs3  1  0.794  0.823  0.550  1.0
  Cs  Cs4  1  0.650  0.538  0.313  1.0
  Cs  Cs5  1  0.462  0.350  0.187  1.0
  Cs  Cs6  1  0.350  0.462  0.687  1.0
  Cs  Cs7  1  0.538  0.650  0.813  1.0
  Ge  Ge8  1  0.005  0.995  0.250  1.0
  Ge  Ge9  1  0.995  0.005  0.750  1.0
  P  P10  1  0.099  0.733  0.368  1.0
  P  P11  1  0.267  0.901  0.132  1.0
  P  P12  1  0.901  0.267  0.632  1.0
  P  P13  1  0.733  0.099  0.868  1.0
  P  P14  1  0.074  0.211  0.116  1.0
  P  P15  1  0.789  0.926  0.384  1.0
  P  P16  1  0.926  0.789  0.884  1.0
  P  P17  1  0.211  0.074  0.616  1.0
  S  S18  1  0.213  0.673  0.438  1.0
  S  S19  1  0.327  0.787  0.062  1.0
  S  S20  1  0.787  0.327  0.562  1.0
  S  S21  1  0.673  0.213  0.938  1.0
  S  S22  1  0.128  0.524  0.327  1.0
  S  S23  1  0.476  0.872  0.173  1.0
  S  S24  1  0.872  0.476  0.673  1.0
  S  S25  1  0.524  0.128  0.827  1.0
  S  S26  1  0.067  0.800  0.186  1.0
  S  S27  1  0.200  0.933  0.314  1.0
  S  S28  1  0.933  0.200  0.814  1.0
  S  S29  1  0.800  0.067  0.686  1.0
  S  S30  1  0.231  0.355  0.079  1.0
  S  S31  1  0.645  0.769  0.421  1.0
  S  S32  1  0.769  0.645  0.921  1.0
  S  S33  1  0.355  0.231  0.579  1.0
  S  S34  1  0.851  0.241  0.081  1.0
  S  S35  1  0.759  0.149  0.419  1.0
  S  S36  1  0.149  0.759  0.919  1.0
  S  S37  1  0.241  0.851  0.581  1.0
  S  S38  1  0.992  0.276  0.203  1.0
  S  S39  1  0.724  0.008  0.297  1.0
  S  S40  1  0.008  0.724  0.797  1.0
  S  S41  1  0.276  0.992  0.703  1.0
[/CIF]
.