The material described by Ba14U2V4S25O crystallizes in the tetragonal I422 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent S(1), two equivalent S(2), four equivalent S(3), and one O(1) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. In the third Ba site, Ba(3) is bonded in a distorted body-centered cubic geometry to eight equivalent S(2) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. U(1) is bonded to one S(4), four equivalent S(3), and one O(1) atom to form corner-sharing US5O octahedra. The corner-sharing octahedra are not tilted. V(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(4) is bonded to four equivalent Ba(2) and two equivalent U(1) atoms to form face-sharing SBa4U2 octahedra. In the second S site, S(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), and one V(1) atom. In the third S site, S(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), two equivalent Ba(3), and one V(1) atom. In the fourth S site, S(3) is bonded to one Ba(4), two equivalent Ba(1), two equivalent Ba(2), and one U(1) atom to form distorted SBa5U octahedra that share corners with six equivalent S(3)Ba5U octahedra, edges with two equivalent S(3)Ba5U octahedra,  a faceface with one S(4)Ba4U2 octahedra, and faces with two equivalent S(3)Ba5U octahedra. The corner-sharing octahedral tilt angles range from 8-59°. O(1) is bonded in a linear geometry to four equivalent Ba(1) and two equivalent U(1) atoms. is represented by the CIF file [CIF]
data_Ba14U2V4S25O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.518
_cell_length_b   12.518
_cell_length_c   12.518
_cell_angle_alpha   98.542
_cell_angle_beta   98.542
_cell_angle_gamma   134.661
_symmetry_Int_Tables_number   1
_cell_volume   1287.430
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.215  0.215  1.0
  Ba  Ba1  1  0.000  0.785  0.785  1.0
  Ba  Ba2  1  0.500  0.711  0.211  1.0
  Ba  Ba3  1  0.500  0.289  0.789  1.0
  Ba  Ba4  1  0.215  0.000  0.215  1.0
  Ba  Ba5  1  0.785  0.000  0.785  1.0
  Ba  Ba6  1  0.711  0.500  0.211  1.0
  Ba  Ba7  1  0.289  0.500  0.789  1.0
  Ba  Ba8  1  0.500  0.000  0.500  1.0
  Ba  Ba9  1  0.000  0.500  0.500  1.0
  Ba  Ba10  1  0.463  0.963  0.926  1.0
  Ba  Ba11  1  0.037  0.537  0.074  1.0
  Ba  Ba12  1  0.537  0.463  0.500  1.0
  Ba  Ba13  1  0.963  0.037  0.500  1.0
  U  U14  1  0.225  0.225  0.000  1.0
  U  U15  1  0.775  0.775  0.000  1.0
  V  V16  1  0.875  0.375  0.750  1.0
  V  V17  1  0.625  0.125  0.250  1.0
  V  V18  1  0.125  0.875  0.500  1.0
  V  V19  1  0.375  0.625  0.500  1.0
  S  S20  1  0.727  0.227  0.849  1.0
  S  S21  1  0.379  0.878  0.151  1.0
  S  S22  1  0.878  0.727  0.499  1.0
  S  S23  1  0.227  0.379  0.501  1.0
  S  S24  1  0.773  0.273  0.151  1.0
  S  S25  1  0.122  0.621  0.849  1.0
  S  S26  1  0.621  0.773  0.499  1.0
  S  S27  1  0.273  0.122  0.501  1.0
  S  S28  1  0.600  0.265  0.357  1.0
  S  S29  1  0.908  0.243  0.643  1.0
  S  S30  1  0.400  0.757  0.665  1.0
  S  S31  1  0.092  0.735  0.335  1.0
  S  S32  1  0.265  0.908  0.665  1.0
  S  S33  1  0.243  0.600  0.335  1.0
  S  S34  1  0.757  0.092  0.357  1.0
  S  S35  1  0.735  0.400  0.643  1.0
  S  S36  1  0.361  0.353  0.226  1.0
  S  S37  1  0.127  0.135  0.774  1.0
  S  S38  1  0.639  0.865  0.992  1.0
  S  S39  1  0.873  0.647  0.008  1.0
  S  S40  1  0.353  0.127  0.992  1.0
  S  S41  1  0.135  0.361  0.008  1.0
  S  S42  1  0.865  0.873  0.226  1.0
  S  S43  1  0.647  0.639  0.774  1.0
  S  S44  1  0.500  0.500  0.000  1.0
  O  O45  1  0.000  0.000  0.000  1.0
[/CIF]
.
The material described by Ba14U2V4S25O crystallizes in the tetragonal I422 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent S(1), two equivalent S(2), four equivalent S(3), and one O(1) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. In the third Ba site, Ba(3) is bonded in a distorted body-centered cubic geometry to eight equivalent S(2) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to two equivalent S(2), two equivalent S(3), and four equivalent S(1) atoms. U(1) is bonded to one S(4), four equivalent S(3), and one O(1) atom to form corner-sharing US5O octahedra. The corner-sharing octahedra are not tilted. V(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(2) atoms. There are four inequivalent S sites. In the first S site, S(4) is bonded to four equivalent Ba(2) and two equivalent U(1) atoms to form face-sharing SBa4U2 octahedra. In the second S site, S(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(4), and one V(1) atom. In the third S site, S(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), two equivalent Ba(3), and one V(1) atom. In the fourth S site, S(3) is bonded to one Ba(4), two equivalent Ba(1), two equivalent Ba(2), and one U(1) atom to form distorted SBa5U octahedra that share corners with six equivalent S(3)Ba5U octahedra, edges with two equivalent S(3)Ba5U octahedra,  a faceface with one S(4)Ba4U2 octahedra, and faces with two equivalent S(3)Ba5U octahedra. The corner-sharing octahedral tilt angles range from 8-59°. O(1) is bonded in a linear geometry to four equivalent Ba(1) and two equivalent U(1) atoms. is represented by the CIF file [CIF]
data_Ba14U2V4S25O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.518
_cell_length_b   12.518
_cell_length_c   12.518
_cell_angle_alpha   98.542
_cell_angle_beta   98.542
_cell_angle_gamma   134.661
_symmetry_Int_Tables_number   1
_cell_volume   1287.430
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.000  0.215  0.215  1.0
  Ba  Ba1  1  0.000  0.785  0.785  1.0
  Ba  Ba2  1  0.500  0.711  0.211  1.0
  Ba  Ba3  1  0.500  0.289  0.789  1.0
  Ba  Ba4  1  0.215  0.000  0.215  1.0
  Ba  Ba5  1  0.785  0.000  0.785  1.0
  Ba  Ba6  1  0.711  0.500  0.211  1.0
  Ba  Ba7  1  0.289  0.500  0.789  1.0
  Ba  Ba8  1  0.500  0.000  0.500  1.0
  Ba  Ba9  1  0.000  0.500  0.500  1.0
  Ba  Ba10  1  0.463  0.963  0.926  1.0
  Ba  Ba11  1  0.037  0.537  0.074  1.0
  Ba  Ba12  1  0.537  0.463  0.500  1.0
  Ba  Ba13  1  0.963  0.037  0.500  1.0
  U  U14  1  0.225  0.225  0.000  1.0
  U  U15  1  0.775  0.775  0.000  1.0
  V  V16  1  0.875  0.375  0.750  1.0
  V  V17  1  0.625  0.125  0.250  1.0
  V  V18  1  0.125  0.875  0.500  1.0
  V  V19  1  0.375  0.625  0.500  1.0
  S  S20  1  0.727  0.227  0.849  1.0
  S  S21  1  0.379  0.878  0.151  1.0
  S  S22  1  0.878  0.727  0.499  1.0
  S  S23  1  0.227  0.379  0.501  1.0
  S  S24  1  0.773  0.273  0.151  1.0
  S  S25  1  0.122  0.621  0.849  1.0
  S  S26  1  0.621  0.773  0.499  1.0
  S  S27  1  0.273  0.122  0.501  1.0
  S  S28  1  0.600  0.265  0.357  1.0
  S  S29  1  0.908  0.243  0.643  1.0
  S  S30  1  0.400  0.757  0.665  1.0
  S  S31  1  0.092  0.735  0.335  1.0
  S  S32  1  0.265  0.908  0.665  1.0
  S  S33  1  0.243  0.600  0.335  1.0
  S  S34  1  0.757  0.092  0.357  1.0
  S  S35  1  0.735  0.400  0.643  1.0
  S  S36  1  0.361  0.353  0.226  1.0
  S  S37  1  0.127  0.135  0.774  1.0
  S  S38  1  0.639  0.865  0.992  1.0
  S  S39  1  0.873  0.647  0.008  1.0
  S  S40  1  0.353  0.127  0.992  1.0
  S  S41  1  0.135  0.361  0.008  1.0
  S  S42  1  0.865  0.873  0.226  1.0
  S  S43  1  0.647  0.639  0.774  1.0
  S  S44  1  0.500  0.500  0.000  1.0
  O  O45  1  0.000  0.000  0.000  1.0
[/CIF]
.