The structure described by CsBaVS4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one S(3), three equivalent S(2), and six equivalent S(1) atoms. Ba(1) is bonded in a 9-coordinate geometry to two equivalent S(2), three equivalent S(3), and four equivalent S(1) atoms. V(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1), two equivalent Ba(1), and one V(1) atom. In the second S site, S(2) is bonded in a 1-coordinate geometry to three equivalent Cs(1), two equivalent Ba(1), and one V(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Cs(1), three equivalent Ba(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBaVS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.959
_cell_length_b   10.156
_cell_length_c   12.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   859.047
_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  0.250  0.867  0.934  1.0
  Cs  Cs1  1  0.250  0.633  0.434  1.0
  Cs  Cs2  1  0.750  0.133  0.066  1.0
  Cs  Cs3  1  0.750  0.367  0.566  1.0
  Ba  Ba4  1  0.250  0.405  0.850  1.0
  Ba  Ba5  1  0.250  0.095  0.350  1.0
  Ba  Ba6  1  0.750  0.595  0.150  1.0
  Ba  Ba7  1  0.750  0.905  0.650  1.0
  V  V8  1  0.250  0.119  0.669  1.0
  V  V9  1  0.250  0.381  0.169  1.0
  V  V10  1  0.750  0.881  0.331  1.0
  V  V11  1  0.750  0.619  0.831  1.0
  S  S12  1  0.499  0.132  0.774  1.0
  S  S13  1  0.001  0.368  0.274  1.0
  S  S14  1  0.999  0.868  0.226  1.0
  S  S15  1  0.501  0.632  0.726  1.0
  S  S16  1  0.501  0.868  0.226  1.0
  S  S17  1  0.999  0.632  0.726  1.0
  S  S18  1  0.001  0.132  0.774  1.0
  S  S19  1  0.499  0.368  0.274  1.0
  S  S20  1  0.250  0.288  0.561  1.0
  S  S21  1  0.250  0.212  0.061  1.0
  S  S22  1  0.750  0.712  0.439  1.0
  S  S23  1  0.750  0.788  0.939  1.0
  S  S24  1  0.250  0.937  0.578  1.0
  S  S25  1  0.250  0.563  0.078  1.0
  S  S26  1  0.750  0.063  0.422  1.0
  S  S27  1  0.750  0.437  0.922  1.0
[/CIF]
.
The structure described by CsBaVS4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one S(3), three equivalent S(2), and six equivalent S(1) atoms. Ba(1) is bonded in a 9-coordinate geometry to two equivalent S(2), three equivalent S(3), and four equivalent S(1) atoms. V(1) is bonded in a tetrahedral geometry to one S(2), one S(3), and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1), two equivalent Ba(1), and one V(1) atom. In the second S site, S(2) is bonded in a 1-coordinate geometry to three equivalent Cs(1), two equivalent Ba(1), and one V(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Cs(1), three equivalent Ba(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsBaVS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.959
_cell_length_b   10.156
_cell_length_c   12.155
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   859.047
_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  0.250  0.867  0.934  1.0
  Cs  Cs1  1  0.250  0.633  0.434  1.0
  Cs  Cs2  1  0.750  0.133  0.066  1.0
  Cs  Cs3  1  0.750  0.367  0.566  1.0
  Ba  Ba4  1  0.250  0.405  0.850  1.0
  Ba  Ba5  1  0.250  0.095  0.350  1.0
  Ba  Ba6  1  0.750  0.595  0.150  1.0
  Ba  Ba7  1  0.750  0.905  0.650  1.0
  V  V8  1  0.250  0.119  0.669  1.0
  V  V9  1  0.250  0.381  0.169  1.0
  V  V10  1  0.750  0.881  0.331  1.0
  V  V11  1  0.750  0.619  0.831  1.0
  S  S12  1  0.499  0.132  0.774  1.0
  S  S13  1  0.001  0.368  0.274  1.0
  S  S14  1  0.999  0.868  0.226  1.0
  S  S15  1  0.501  0.632  0.726  1.0
  S  S16  1  0.501  0.868  0.226  1.0
  S  S17  1  0.999  0.632  0.726  1.0
  S  S18  1  0.001  0.132  0.774  1.0
  S  S19  1  0.499  0.368  0.274  1.0
  S  S20  1  0.250  0.288  0.561  1.0
  S  S21  1  0.250  0.212  0.061  1.0
  S  S22  1  0.750  0.712  0.439  1.0
  S  S23  1  0.750  0.788  0.939  1.0
  S  S24  1  0.250  0.937  0.578  1.0
  S  S25  1  0.250  0.563  0.078  1.0
  S  S26  1  0.750  0.063  0.422  1.0
  S  S27  1  0.750  0.437  0.922  1.0
[/CIF]
.