The crystal structure described by La6Ti2S8O5 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one S(8), two equivalent S(4), two equivalent S(6), one O(3), and one O(4) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(2), three equivalent S(1), one O(5), and two equivalent O(4) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(2), two equivalent S(7), three equivalent S(3), and one O(2) atom. In the fourth La site, La(4) is bonded in a 8-coordinate geometry to two equivalent S(5), three equivalent S(6), one O(5), and two equivalent O(3) atoms. In the fifth La site, La(5) is bonded in a 8-coordinate geometry to one S(4), two equivalent S(5), two equivalent S(7), and three equivalent S(8) atoms. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), one O(2), one O(5), and two equivalent O(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(1), one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing TiSO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one S(3), one S(5), one S(7), one O(1), and two equivalent O(2) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to two equivalent La(6), three equivalent La(2), and one Ti(1) atom to form distorted SLa5Ti pentagonal pyramids that share corners with two equivalent S(3)La5Ti pentagonal pyramids, corners with two equivalent O(1)La2Ti2 tetrahedra, corners with four equivalent O(4)La3Ti tetrahedra, corners with two equivalent S(2)La5 trigonal bipyramids,  an edgeedge with one S(3)La5Ti pentagonal pyramid, edges with four equivalent S(1)La5Ti pentagonal pyramids, edges with three equivalent S(2)La5 trigonal bipyramids,  a faceface with one O(1)La2Ti2 tetrahedra, and  a faceface with one O(4)La3Ti tetrahedra. In the second S site, S(2) is bonded to one La(6), two equivalent La(2), and two equivalent La(3) atoms to form distorted SLa5 trigonal bipyramids that share corners with two equivalent S(1)La5Ti pentagonal pyramids, corners with two equivalent S(3)La5Ti pentagonal pyramids, corners with two equivalent S(7)La4Ti square pyramids, corners with two equivalent O(1)La2Ti2 tetrahedra, corners with two equivalent O(4)La3Ti tetrahedra, edges with three equivalent S(1)La5Ti pentagonal pyramids, edges with three equivalent S(3)La5Ti pentagonal pyramids,  an edgeedge with one S(7)La4Ti square pyramid,  an edgeedge with one O(4)La3Ti tetrahedra, and edges with two equivalent S(2)La5 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent La(6), three equivalent La(3), and one Ti(2) atom to form distorted SLa5Ti pentagonal pyramids that share corners with two equivalent S(1)La5Ti pentagonal pyramids,  a cornercorner with one S(5)La4Ti square pyramid, corners with four equivalent S(7)La4Ti square pyramids, corners with two equivalent O(1)La2Ti2 tetrahedra, corners with two equivalent S(2)La5 trigonal bipyramids,  an edgeedge with one S(1)La5Ti pentagonal pyramid, edges with four equivalent S(3)La5Ti pentagonal pyramids, edges with three equivalent S(2)La5 trigonal bipyramids,  a faceface with one S(7)La4Ti square pyramid, and  a faceface with one O(1)La2Ti2 tetrahedra. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(5), and two equivalent La(1) atoms. In the fifth S site, S(5) is bonded to two equivalent La(4), two equivalent La(5), and one Ti(2) atom to form distorted SLa4Ti square pyramids that share  a cornercorner with one S(3)La5Ti pentagonal pyramid, corners with two equivalent S(7)La4Ti square pyramids, corners with four equivalent S(6)La5 square pyramids,  a cornercorner with one O(1)La2Ti2 tetrahedra, corners with four equivalent S(8)La4 trigonal pyramids,  an edgeedge with one S(6)La5 square pyramid, edges with two equivalent S(5)La4Ti square pyramids,  an edgeedge with one S(8)La4 trigonal pyramid, and  a faceface with one S(7)La4Ti square pyramid. In the sixth S site, S(6) is bonded to two equivalent La(1) and three equivalent La(4) atoms to form SLa5 square pyramids that share corners with four equivalent S(5)La4Ti square pyramids, corners with two equivalent O(4)La3Ti tetrahedra, corners with two equivalent S(8)La4 trigonal pyramids,  an edgeedge with one S(5)La4Ti square pyramid, and edges with four equivalent S(6)La5 square pyramids. In the seventh S site, S(7) is bonded to two equivalent La(3), two equivalent La(5), and one Ti(2) atom to form SLa4Ti square pyramids that share corners with four equivalent S(3)La5Ti pentagonal pyramids, corners with two equivalent S(5)La4Ti square pyramids,  a cornercorner with one O(1)La2Ti2 tetrahedra, corners with two equivalent S(2)La5 trigonal bipyramids, corners with four equivalent S(8)La4 trigonal pyramids, edges with two equivalent S(7)La4Ti square pyramids,  an edgeedge with one S(2)La5 trigonal bipyramid,  an edgeedge with one S(8)La4 trigonal pyramid,  a faceface with one S(3)La5Ti pentagonal pyramid, and  a faceface with one S(5)La4Ti square pyramid. In the eighth S site, S(8) is bonded to one La(1) and three equivalent La(5) atoms to form SLa4 trigonal pyramids that share corners with two equivalent S(6)La5 square pyramids, corners with four equivalent S(5)La4Ti square pyramids, corners with four equivalent S(7)La4Ti square pyramids,  a cornercorner with one O(4)La3Ti tetrahedra, corners with two equivalent S(8)La4 trigonal pyramids,  an edgeedge with one S(5)La4Ti square pyramid,  an edgeedge with one S(7)La4Ti square pyramid, and edges with two equivalent S(8)La4 trigonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(6), one Ti(1), and one Ti(2) atom to form distorted OLa2Ti2 tetrahedra that share corners with two equivalent S(1)La5Ti pentagonal pyramids, corners with two equivalent S(3)La5Ti pentagonal pyramids,  a cornercorner with one S(5)La4Ti square pyramid,  a cornercorner with one S(7)La4Ti square pyramid,  a cornercorner with one O(4)La3Ti tetrahedra, corners with two equivalent O(1)La2Ti2 tetrahedra, corners with two equivalent S(2)La5 trigonal bipyramids,  a faceface with one S(1)La5Ti pentagonal pyramid, and  a faceface with one S(3)La5Ti pentagonal pyramid. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(3), one La(6), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(4), and one Ti(1) atom. In the fourth O site, O(4) is bonded to one La(1), two equivalent La(2), and one Ti(1) atom to form distorted OLa3Ti tetrahedra that share corners with four equivalent S(1)La5Ti pentagonal pyramids, corners with two equivalent S(6)La5 square pyramids,  a cornercorner with one O(1)La2Ti2 tetrahedra, corners with two equivalent O(4)La3Ti tetrahedra, corners with two equivalent S(2)La5 trigonal bipyramids,  a cornercorner with one S(8)La4 trigonal pyramid,  an edgeedge with one S(2)La5 trigonal bipyramid, and  a faceface with one S(1)La5Ti pentagonal pyramid. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(2), one La(4), one La(6), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_La6Ti2S8O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.020
_cell_length_b   12.771
_cell_length_c   16.486
_cell_angle_alpha   82.962
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   840.049
_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
  La  La0  1  0.750  0.680  0.649  1.0
  La  La1  1  0.750  0.396  0.126  1.0
  La  La2  1  0.750  0.068  0.117  1.0
  La  La3  1  0.250  0.604  0.874  1.0
  La  La4  1  0.250  0.320  0.351  1.0
  La  La5  1  0.250  0.385  0.602  1.0
  La  La6  1  0.250  0.998  0.620  1.0
  La  La7  1  0.250  0.932  0.883  1.0
  La  La8  1  0.750  0.615  0.398  1.0
  La  La9  1  0.750  0.002  0.380  1.0
  La  La10  1  0.750  0.731  0.102  1.0
  La  La11  1  0.250  0.269  0.898  1.0
  Ti  Ti12  1  0.750  0.441  0.774  1.0
  Ti  Ti13  1  0.750  0.153  0.768  1.0
  Ti  Ti14  1  0.250  0.847  0.232  1.0
  Ti  Ti15  1  0.250  0.559  0.226  1.0
  S  S16  1  0.750  0.430  0.939  1.0
  S  S17  1  0.250  0.236  0.076  1.0
  S  S18  1  0.250  0.913  0.068  1.0
  S  S19  1  0.250  0.774  0.731  1.0
  S  S20  1  0.250  0.804  0.373  1.0
  S  S21  1  0.750  0.392  0.465  1.0
  S  S22  1  0.250  0.608  0.535  1.0
  S  S23  1  0.250  0.570  0.061  1.0
  S  S24  1  0.750  0.764  0.924  1.0
  S  S25  1  0.750  0.969  0.754  1.0
  S  S26  1  0.750  0.887  0.546  1.0
  S  S27  1  0.750  0.196  0.627  1.0
  S  S28  1  0.250  0.113  0.454  1.0
  S  S29  1  0.750  0.226  0.269  1.0
  S  S30  1  0.250  0.031  0.246  1.0
  S  S31  1  0.750  0.087  0.932  1.0
  O  O32  1  0.750  0.287  0.808  1.0
  O  O33  1  0.250  0.150  0.783  1.0
  O  O34  1  0.750  0.453  0.661  1.0
  O  O35  1  0.250  0.547  0.339  1.0
  O  O36  1  0.250  0.415  0.213  1.0
  O  O37  1  0.750  0.850  0.217  1.0
  O  O38  1  0.750  0.585  0.787  1.0
  O  O39  1  0.250  0.713  0.192  1.0
  O  O40  1  0.750  0.567  0.217  1.0
  O  O41  1  0.250  0.433  0.783  1.0
[/CIF]
.
The crystal structure described by La6Ti2S8O5 crystallizes in the monoclinic P2_1/m space group. There are six inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to one S(8), two equivalent S(4), two equivalent S(6), one O(3), and one O(4) atom. In the second La site, La(2) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(2), three equivalent S(1), one O(5), and two equivalent O(4) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(2), two equivalent S(7), three equivalent S(3), and one O(2) atom. In the fourth La site, La(4) is bonded in a 8-coordinate geometry to two equivalent S(5), three equivalent S(6), one O(5), and two equivalent O(3) atoms. In the fifth La site, La(5) is bonded in a 8-coordinate geometry to one S(4), two equivalent S(5), two equivalent S(7), and three equivalent S(8) atoms. In the sixth La site, La(6) is bonded in a 9-coordinate geometry to one S(2), two equivalent S(1), two equivalent S(3), one O(2), one O(5), and two equivalent O(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one S(1), one O(1), one O(3), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing TiSO5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one S(3), one S(5), one S(7), one O(1), and two equivalent O(2) atoms. There are eight inequivalent S sites. In the first S site, S(1) is bonded to two equivalent La(6), three equivalent La(2), and one Ti(1) atom to form distorted SLa5Ti pentagonal pyramids that share corners with two equivalent S(3)La5Ti pentagonal pyramids, corners with two equivalent O(1)La2Ti2 tetrahedra, corners with four equivalent O(4)La3Ti tetrahedra, corners with two equivalent S(2)La5 trigonal bipyramids,  an edgeedge with one S(3)La5Ti pentagonal pyramid, edges with four equivalent S(1)La5Ti pentagonal pyramids, edges with three equivalent S(2)La5 trigonal bipyramids,  a faceface with one O(1)La2Ti2 tetrahedra, and  a faceface with one O(4)La3Ti tetrahedra. In the second S site, S(2) is bonded to one La(6), two equivalent La(2), and two equivalent La(3) atoms to form distorted SLa5 trigonal bipyramids that share corners with two equivalent S(1)La5Ti pentagonal pyramids, corners with two equivalent S(3)La5Ti pentagonal pyramids, corners with two equivalent S(7)La4Ti square pyramids, corners with two equivalent O(1)La2Ti2 tetrahedra, corners with two equivalent O(4)La3Ti tetrahedra, edges with three equivalent S(1)La5Ti pentagonal pyramids, edges with three equivalent S(3)La5Ti pentagonal pyramids,  an edgeedge with one S(7)La4Ti square pyramid,  an edgeedge with one O(4)La3Ti tetrahedra, and edges with two equivalent S(2)La5 trigonal bipyramids. In the third S site, S(3) is bonded to two equivalent La(6), three equivalent La(3), and one Ti(2) atom to form distorted SLa5Ti pentagonal pyramids that share corners with two equivalent S(1)La5Ti pentagonal pyramids,  a cornercorner with one S(5)La4Ti square pyramid, corners with four equivalent S(7)La4Ti square pyramids, corners with two equivalent O(1)La2Ti2 tetrahedra, corners with two equivalent S(2)La5 trigonal bipyramids,  an edgeedge with one S(1)La5Ti pentagonal pyramid, edges with four equivalent S(3)La5Ti pentagonal pyramids, edges with three equivalent S(2)La5 trigonal bipyramids,  a faceface with one S(7)La4Ti square pyramid, and  a faceface with one O(1)La2Ti2 tetrahedra. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(5), and two equivalent La(1) atoms. In the fifth S site, S(5) is bonded to two equivalent La(4), two equivalent La(5), and one Ti(2) atom to form distorted SLa4Ti square pyramids that share  a cornercorner with one S(3)La5Ti pentagonal pyramid, corners with two equivalent S(7)La4Ti square pyramids, corners with four equivalent S(6)La5 square pyramids,  a cornercorner with one O(1)La2Ti2 tetrahedra, corners with four equivalent S(8)La4 trigonal pyramids,  an edgeedge with one S(6)La5 square pyramid, edges with two equivalent S(5)La4Ti square pyramids,  an edgeedge with one S(8)La4 trigonal pyramid, and  a faceface with one S(7)La4Ti square pyramid. In the sixth S site, S(6) is bonded to two equivalent La(1) and three equivalent La(4) atoms to form SLa5 square pyramids that share corners with four equivalent S(5)La4Ti square pyramids, corners with two equivalent O(4)La3Ti tetrahedra, corners with two equivalent S(8)La4 trigonal pyramids,  an edgeedge with one S(5)La4Ti square pyramid, and edges with four equivalent S(6)La5 square pyramids. In the seventh S site, S(7) is bonded to two equivalent La(3), two equivalent La(5), and one Ti(2) atom to form SLa4Ti square pyramids that share corners with four equivalent S(3)La5Ti pentagonal pyramids, corners with two equivalent S(5)La4Ti square pyramids,  a cornercorner with one O(1)La2Ti2 tetrahedra, corners with two equivalent S(2)La5 trigonal bipyramids, corners with four equivalent S(8)La4 trigonal pyramids, edges with two equivalent S(7)La4Ti square pyramids,  an edgeedge with one S(2)La5 trigonal bipyramid,  an edgeedge with one S(8)La4 trigonal pyramid,  a faceface with one S(3)La5Ti pentagonal pyramid, and  a faceface with one S(5)La4Ti square pyramid. In the eighth S site, S(8) is bonded to one La(1) and three equivalent La(5) atoms to form SLa4 trigonal pyramids that share corners with two equivalent S(6)La5 square pyramids, corners with four equivalent S(5)La4Ti square pyramids, corners with four equivalent S(7)La4Ti square pyramids,  a cornercorner with one O(4)La3Ti tetrahedra, corners with two equivalent S(8)La4 trigonal pyramids,  an edgeedge with one S(5)La4Ti square pyramid,  an edgeedge with one S(7)La4Ti square pyramid, and edges with two equivalent S(8)La4 trigonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(6), one Ti(1), and one Ti(2) atom to form distorted OLa2Ti2 tetrahedra that share corners with two equivalent S(1)La5Ti pentagonal pyramids, corners with two equivalent S(3)La5Ti pentagonal pyramids,  a cornercorner with one S(5)La4Ti square pyramid,  a cornercorner with one S(7)La4Ti square pyramid,  a cornercorner with one O(4)La3Ti tetrahedra, corners with two equivalent O(1)La2Ti2 tetrahedra, corners with two equivalent S(2)La5 trigonal bipyramids,  a faceface with one S(1)La5Ti pentagonal pyramid, and  a faceface with one S(3)La5Ti pentagonal pyramid. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(3), one La(6), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one La(1), two equivalent La(4), and one Ti(1) atom. In the fourth O site, O(4) is bonded to one La(1), two equivalent La(2), and one Ti(1) atom to form distorted OLa3Ti tetrahedra that share corners with four equivalent S(1)La5Ti pentagonal pyramids, corners with two equivalent S(6)La5 square pyramids,  a cornercorner with one O(1)La2Ti2 tetrahedra, corners with two equivalent O(4)La3Ti tetrahedra, corners with two equivalent S(2)La5 trigonal bipyramids,  a cornercorner with one S(8)La4 trigonal pyramid,  an edgeedge with one S(2)La5 trigonal bipyramid, and  a faceface with one S(1)La5Ti pentagonal pyramid. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one La(2), one La(4), one La(6), and two equivalent Ti(1) atoms. is represented by the CIF card [CIF]
data_La6Ti2S8O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.020
_cell_length_b   12.771
_cell_length_c   16.486
_cell_angle_alpha   82.962
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   840.049
_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
  La  La0  1  0.750  0.680  0.649  1.0
  La  La1  1  0.750  0.396  0.126  1.0
  La  La2  1  0.750  0.068  0.117  1.0
  La  La3  1  0.250  0.604  0.874  1.0
  La  La4  1  0.250  0.320  0.351  1.0
  La  La5  1  0.250  0.385  0.602  1.0
  La  La6  1  0.250  0.998  0.620  1.0
  La  La7  1  0.250  0.932  0.883  1.0
  La  La8  1  0.750  0.615  0.398  1.0
  La  La9  1  0.750  0.002  0.380  1.0
  La  La10  1  0.750  0.731  0.102  1.0
  La  La11  1  0.250  0.269  0.898  1.0
  Ti  Ti12  1  0.750  0.441  0.774  1.0
  Ti  Ti13  1  0.750  0.153  0.768  1.0
  Ti  Ti14  1  0.250  0.847  0.232  1.0
  Ti  Ti15  1  0.250  0.559  0.226  1.0
  S  S16  1  0.750  0.430  0.939  1.0
  S  S17  1  0.250  0.236  0.076  1.0
  S  S18  1  0.250  0.913  0.068  1.0
  S  S19  1  0.250  0.774  0.731  1.0
  S  S20  1  0.250  0.804  0.373  1.0
  S  S21  1  0.750  0.392  0.465  1.0
  S  S22  1  0.250  0.608  0.535  1.0
  S  S23  1  0.250  0.570  0.061  1.0
  S  S24  1  0.750  0.764  0.924  1.0
  S  S25  1  0.750  0.969  0.754  1.0
  S  S26  1  0.750  0.887  0.546  1.0
  S  S27  1  0.750  0.196  0.627  1.0
  S  S28  1  0.250  0.113  0.454  1.0
  S  S29  1  0.750  0.226  0.269  1.0
  S  S30  1  0.250  0.031  0.246  1.0
  S  S31  1  0.750  0.087  0.932  1.0
  O  O32  1  0.750  0.287  0.808  1.0
  O  O33  1  0.250  0.150  0.783  1.0
  O  O34  1  0.750  0.453  0.661  1.0
  O  O35  1  0.250  0.547  0.339  1.0
  O  O36  1  0.250  0.415  0.213  1.0
  O  O37  1  0.750  0.850  0.217  1.0
  O  O38  1  0.750  0.585  0.787  1.0
  O  O39  1  0.250  0.713  0.192  1.0
  O  O40  1  0.750  0.567  0.217  1.0
  O  O41  1  0.250  0.433  0.783  1.0
[/CIF]
.