The structure described by K4Ba(VS4)2 crystallizes in the orthorhombic Ibam space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one S(2), one S(3), and six equivalent S(1) atoms. Ba(1) is bonded to four equivalent S(1) and four equivalent S(3) atoms to form distorted BaS8 hexagonal bipyramids that share edges with two equivalent Ba(1)S8 hexagonal bipyramids and edges with four equivalent V(1)S4 tetrahedra. V(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form VS4 tetrahedra that share edges with two equivalent Ba(1)S8 hexagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one K(1), three equivalent K(2), one Ba(1), and one V(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one K(2), four equivalent K(1), and one V(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to one K(2), two equivalent K(1), two equivalent Ba(1), and one V(1) atom. is represented by the CIF file [CIF]
data_K4Ba(VS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.525
_cell_length_b   11.525
_cell_length_c   11.525
_cell_angle_alpha   133.524
_cell_angle_beta   128.398
_cell_angle_gamma   71.954
_symmetry_Int_Tables_number   1
_cell_volume   850.851
_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
  K  K0  1  0.499  0.249  0.250  1.0
  K  K1  1  0.001  0.751  0.250  1.0
  K  K2  1  0.577  0.703  0.126  1.0
  K  K3  1  0.423  0.297  0.874  1.0
  K  K4  1  0.501  0.751  0.750  1.0
  K  K5  1  0.077  0.451  0.374  1.0
  K  K6  1  0.923  0.549  0.626  1.0
  K  K7  1  0.999  0.249  0.750  1.0
  Ba  Ba8  1  0.250  0.000  0.250  1.0
  Ba  Ba9  1  0.750  0.000  0.750  1.0
  V  V10  1  0.134  0.925  0.791  1.0
  V  V11  1  0.866  0.075  0.209  1.0
  V  V12  1  0.366  0.657  0.291  1.0
  V  V13  1  0.634  0.343  0.709  1.0
  S  S14  1  0.588  0.604  0.368  1.0
  S  S15  1  0.751  0.984  0.232  1.0
  S  S16  1  0.892  0.868  0.976  1.0
  S  S17  1  0.764  0.396  0.984  1.0
  S  S18  1  0.736  0.219  0.132  1.0
  S  S19  1  0.749  0.481  0.732  1.0
  S  S20  1  0.249  0.016  0.768  1.0
  S  S21  1  0.236  0.604  0.016  1.0
  S  S22  1  0.251  0.519  0.268  1.0
  S  S23  1  0.264  0.781  0.868  1.0
  S  S24  1  0.108  0.132  0.024  1.0
  S  S25  1  0.912  0.781  0.516  1.0
  S  S26  1  0.088  0.219  0.484  1.0
  S  S27  1  0.608  0.084  0.476  1.0
  S  S28  1  0.412  0.396  0.632  1.0
  S  S29  1  0.392  0.916  0.524  1.0
[/CIF]
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The structure described by K4Ba(VS4)2 crystallizes in the orthorhombic Ibam space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one S(2), one S(3), and six equivalent S(1) atoms. Ba(1) is bonded to four equivalent S(1) and four equivalent S(3) atoms to form distorted BaS8 hexagonal bipyramids that share edges with two equivalent Ba(1)S8 hexagonal bipyramids and edges with four equivalent V(1)S4 tetrahedra. V(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form VS4 tetrahedra that share edges with two equivalent Ba(1)S8 hexagonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one K(1), three equivalent K(2), one Ba(1), and one V(1) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to one K(2), four equivalent K(1), and one V(1) atom. In the third S site, S(3) is bonded in a 1-coordinate geometry to one K(2), two equivalent K(1), two equivalent Ba(1), and one V(1) atom. is represented by the CIF file [CIF]
data_K4Ba(VS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.525
_cell_length_b   11.525
_cell_length_c   11.525
_cell_angle_alpha   133.524
_cell_angle_beta   128.398
_cell_angle_gamma   71.954
_symmetry_Int_Tables_number   1
_cell_volume   850.851
_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
  K  K0  1  0.499  0.249  0.250  1.0
  K  K1  1  0.001  0.751  0.250  1.0
  K  K2  1  0.577  0.703  0.126  1.0
  K  K3  1  0.423  0.297  0.874  1.0
  K  K4  1  0.501  0.751  0.750  1.0
  K  K5  1  0.077  0.451  0.374  1.0
  K  K6  1  0.923  0.549  0.626  1.0
  K  K7  1  0.999  0.249  0.750  1.0
  Ba  Ba8  1  0.250  0.000  0.250  1.0
  Ba  Ba9  1  0.750  0.000  0.750  1.0
  V  V10  1  0.134  0.925  0.791  1.0
  V  V11  1  0.866  0.075  0.209  1.0
  V  V12  1  0.366  0.657  0.291  1.0
  V  V13  1  0.634  0.343  0.709  1.0
  S  S14  1  0.588  0.604  0.368  1.0
  S  S15  1  0.751  0.984  0.232  1.0
  S  S16  1  0.892  0.868  0.976  1.0
  S  S17  1  0.764  0.396  0.984  1.0
  S  S18  1  0.736  0.219  0.132  1.0
  S  S19  1  0.749  0.481  0.732  1.0
  S  S20  1  0.249  0.016  0.768  1.0
  S  S21  1  0.236  0.604  0.016  1.0
  S  S22  1  0.251  0.519  0.268  1.0
  S  S23  1  0.264  0.781  0.868  1.0
  S  S24  1  0.108  0.132  0.024  1.0
  S  S25  1  0.912  0.781  0.516  1.0
  S  S26  1  0.088  0.219  0.484  1.0
  S  S27  1  0.608  0.084  0.476  1.0
  S  S28  1  0.412  0.396  0.632  1.0
  S  S29  1  0.392  0.916  0.524  1.0
[/CIF]
.