The material described by Y2Sn3(PbS4)3 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(10), two equivalent S(11), and two equivalent S(12) atoms. In the second Y site, Y(2) is bonded to one S(1), one S(2), one S(3), two equivalent S(6), and two equivalent S(7) atoms to form distorted YS7 pentagonal bipyramids that share corners with two equivalent Sn(2)S6 octahedra, edges with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Y(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(11), two equivalent S(12), and two equivalent S(9) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one S(2), one S(4), two equivalent S(10), and two equivalent S(8) atoms. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(6), two equivalent S(7), and two equivalent S(8) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(11), one S(7), two equivalent S(3), and two equivalent S(4) atoms to form SnS6 octahedra that share edges with two equivalent Sn(1)S6 octahedra and edges with two equivalent Y(2)S7 pentagonal bipyramids. In the second Sn site, Sn(2) is bonded to one S(6), one S(8), two equivalent S(1), and two equivalent S(2) atoms to form SnS6 octahedra that share corners with two equivalent Y(2)S7 pentagonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Y(2)S7 pentagonal bipyramids. In the third Sn site, Sn(3) is bonded to one S(10), one S(12), one S(9), and two equivalent S(5) atoms to form corner-sharing SnS5 trigonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to one Y(2), one Pb(3), and two equivalent Sn(2) atoms to form distorted SYSn2Pb trigonal pyramids that share  a cornercorner with one S(3)YSn2Pb trigonal pyramid, corners with two equivalent S(1)YSn2Pb trigonal pyramids, corners with three equivalent S(2)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, and  an edgeedge with one S(2)YSn2Pb trigonal pyramid. In the second S site, S(2) is bonded to one Y(2), one Pb(2), and two equivalent Sn(2) atoms to form distorted SYSn2Pb trigonal pyramids that share  a cornercorner with one S(3)YSn2Pb trigonal pyramid,  a cornercorner with one S(4)YSn2Pb trigonal pyramid, corners with two equivalent S(2)YSn2Pb trigonal pyramids, corners with three equivalent S(1)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, and  an edgeedge with one S(1)YSn2Pb trigonal pyramid. In the third S site, S(3) is bonded to one Y(2), one Pb(1), and two equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing SYSn2Pb trigonal pyramids. In the fourth S site, S(4) is bonded to one Y(1), one Pb(2), and two equivalent Sn(1) atoms to form distorted SYSn2Pb trigonal pyramids that share corners with two equivalent S(8)SnPb4 square pyramids,  a cornercorner with one S(2)YSn2Pb trigonal pyramid, corners with two equivalent S(3)YSn2Pb trigonal pyramids, corners with two equivalent S(4)YSn2Pb trigonal pyramids, and  an edgeedge with one S(3)YSn2Pb trigonal pyramid. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Sn(3) atoms. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Y(2), two equivalent Pb(3), and one Sn(2) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to two equivalent Y(2), two equivalent Pb(3), and one Sn(1) atom. In the eighth S site, S(8) is bonded to two equivalent Pb(2), two equivalent Pb(3), and one Sn(2) atom to form distorted SSnPb4 square pyramids that share corners with two equivalent S(4)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, edges with two equivalent S(1)YSn2Pb trigonal pyramids, and edges with two equivalent S(2)YSn2Pb trigonal pyramids. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Sn(3) atom. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Pb(2), and one Sn(3) atom. In the eleventh S site, S(11) is bonded in a 3-coordinate geometry to two equivalent Y(1), two equivalent Pb(1), and one Sn(1) atom. In the twelfth S site, S(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y(1), two equivalent Pb(1), and one Sn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Sn3(PbS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.942
_cell_length_b   11.672
_cell_length_c   20.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   940.528
_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
  Y  Y0  1  0.000  0.546  0.412  1.0
  Y  Y1  1  0.000  0.046  0.588  1.0
  Y  Y2  1  0.000  0.868  0.105  1.0
  Y  Y3  1  0.000  0.368  0.895  1.0
  Sn  Sn4  1  0.500  0.693  0.250  1.0
  Sn  Sn5  1  0.500  0.193  0.750  1.0
  Sn  Sn6  1  0.500  0.175  0.088  1.0
  Sn  Sn7  1  0.500  0.675  0.912  1.0
  Sn  Sn8  1  0.500  0.201  0.425  1.0
  Sn  Sn9  1  0.500  0.701  0.575  1.0
  Pb  Pb10  1  0.000  0.923  0.378  1.0
  Pb  Pb11  1  0.000  0.423  0.622  1.0
  Pb  Pb12  1  0.000  0.289  0.258  1.0
  Pb  Pb13  1  0.000  0.789  0.742  1.0
  Pb  Pb14  1  0.000  0.497  0.086  1.0
  Pb  Pb15  1  0.000  0.997  0.914  1.0
  S  S16  1  0.000  0.255  0.017  1.0
  S  S17  1  0.000  0.755  0.983  1.0
  S  S18  1  0.000  0.092  0.159  1.0
  S  S19  1  0.000  0.592  0.841  1.0
  S  S20  1  0.000  0.844  0.243  1.0
  S  S21  1  0.000  0.344  0.757  1.0
  S  S22  1  0.000  0.548  0.258  1.0
  S  S23  1  0.000  0.048  0.742  1.0
  S  S24  1  0.000  0.257  0.491  1.0
  S  S25  1  0.000  0.757  0.509  1.0
  S  S26  1  0.500  0.980  0.031  1.0
  S  S27  1  0.500  0.480  0.969  1.0
  S  S28  1  0.500  0.703  0.124  1.0
  S  S29  1  0.500  0.203  0.876  1.0
  S  S30  1  0.500  0.356  0.157  1.0
  S  S31  1  0.500  0.856  0.843  1.0
  S  S32  1  0.500  0.092  0.323  1.0
  S  S33  1  0.500  0.592  0.677  1.0
  S  S34  1  0.500  0.390  0.360  1.0
  S  S35  1  0.500  0.890  0.640  1.0
  S  S36  1  0.500  0.709  0.374  1.0
  S  S37  1  0.500  0.209  0.626  1.0
  S  S38  1  0.500  0.011  0.490  1.0
  S  S39  1  0.500  0.511  0.510  1.0
[/CIF]
.
The material described by Y2Sn3(PbS4)3 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(10), two equivalent S(11), and two equivalent S(12) atoms. In the second Y site, Y(2) is bonded to one S(1), one S(2), one S(3), two equivalent S(6), and two equivalent S(7) atoms to form distorted YS7 pentagonal bipyramids that share corners with two equivalent Sn(2)S6 octahedra, edges with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Y(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 7-coordinate geometry to one S(3), two equivalent S(11), two equivalent S(12), and two equivalent S(9) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one S(2), one S(4), two equivalent S(10), and two equivalent S(8) atoms. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(6), two equivalent S(7), and two equivalent S(8) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(11), one S(7), two equivalent S(3), and two equivalent S(4) atoms to form SnS6 octahedra that share edges with two equivalent Sn(1)S6 octahedra and edges with two equivalent Y(2)S7 pentagonal bipyramids. In the second Sn site, Sn(2) is bonded to one S(6), one S(8), two equivalent S(1), and two equivalent S(2) atoms to form SnS6 octahedra that share corners with two equivalent Y(2)S7 pentagonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Y(2)S7 pentagonal bipyramids. In the third Sn site, Sn(3) is bonded to one S(10), one S(12), one S(9), and two equivalent S(5) atoms to form corner-sharing SnS5 trigonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded to one Y(2), one Pb(3), and two equivalent Sn(2) atoms to form distorted SYSn2Pb trigonal pyramids that share  a cornercorner with one S(3)YSn2Pb trigonal pyramid, corners with two equivalent S(1)YSn2Pb trigonal pyramids, corners with three equivalent S(2)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, and  an edgeedge with one S(2)YSn2Pb trigonal pyramid. In the second S site, S(2) is bonded to one Y(2), one Pb(2), and two equivalent Sn(2) atoms to form distorted SYSn2Pb trigonal pyramids that share  a cornercorner with one S(3)YSn2Pb trigonal pyramid,  a cornercorner with one S(4)YSn2Pb trigonal pyramid, corners with two equivalent S(2)YSn2Pb trigonal pyramids, corners with three equivalent S(1)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, and  an edgeedge with one S(1)YSn2Pb trigonal pyramid. In the third S site, S(3) is bonded to one Y(2), one Pb(1), and two equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing SYSn2Pb trigonal pyramids. In the fourth S site, S(4) is bonded to one Y(1), one Pb(2), and two equivalent Sn(1) atoms to form distorted SYSn2Pb trigonal pyramids that share corners with two equivalent S(8)SnPb4 square pyramids,  a cornercorner with one S(2)YSn2Pb trigonal pyramid, corners with two equivalent S(3)YSn2Pb trigonal pyramids, corners with two equivalent S(4)YSn2Pb trigonal pyramids, and  an edgeedge with one S(3)YSn2Pb trigonal pyramid. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Sn(3) atoms. In the sixth S site, S(6) is bonded in a 5-coordinate geometry to two equivalent Y(2), two equivalent Pb(3), and one Sn(2) atom. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to two equivalent Y(2), two equivalent Pb(3), and one Sn(1) atom. In the eighth S site, S(8) is bonded to two equivalent Pb(2), two equivalent Pb(3), and one Sn(2) atom to form distorted SSnPb4 square pyramids that share corners with two equivalent S(4)YSn2Pb trigonal pyramids, edges with two equivalent S(8)SnPb4 square pyramids, edges with two equivalent S(1)YSn2Pb trigonal pyramids, and edges with two equivalent S(2)YSn2Pb trigonal pyramids. In the ninth S site, S(9) is bonded in a 3-coordinate geometry to two equivalent Pb(1) and one Sn(3) atom. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to two equivalent Y(1), two equivalent Pb(2), and one Sn(3) atom. In the eleventh S site, S(11) is bonded in a 3-coordinate geometry to two equivalent Y(1), two equivalent Pb(1), and one Sn(1) atom. In the twelfth S site, S(12) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y(1), two equivalent Pb(1), and one Sn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Sn3(PbS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.942
_cell_length_b   11.672
_cell_length_c   20.439
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   940.528
_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
  Y  Y0  1  0.000  0.546  0.412  1.0
  Y  Y1  1  0.000  0.046  0.588  1.0
  Y  Y2  1  0.000  0.868  0.105  1.0
  Y  Y3  1  0.000  0.368  0.895  1.0
  Sn  Sn4  1  0.500  0.693  0.250  1.0
  Sn  Sn5  1  0.500  0.193  0.750  1.0
  Sn  Sn6  1  0.500  0.175  0.088  1.0
  Sn  Sn7  1  0.500  0.675  0.912  1.0
  Sn  Sn8  1  0.500  0.201  0.425  1.0
  Sn  Sn9  1  0.500  0.701  0.575  1.0
  Pb  Pb10  1  0.000  0.923  0.378  1.0
  Pb  Pb11  1  0.000  0.423  0.622  1.0
  Pb  Pb12  1  0.000  0.289  0.258  1.0
  Pb  Pb13  1  0.000  0.789  0.742  1.0
  Pb  Pb14  1  0.000  0.497  0.086  1.0
  Pb  Pb15  1  0.000  0.997  0.914  1.0
  S  S16  1  0.000  0.255  0.017  1.0
  S  S17  1  0.000  0.755  0.983  1.0
  S  S18  1  0.000  0.092  0.159  1.0
  S  S19  1  0.000  0.592  0.841  1.0
  S  S20  1  0.000  0.844  0.243  1.0
  S  S21  1  0.000  0.344  0.757  1.0
  S  S22  1  0.000  0.548  0.258  1.0
  S  S23  1  0.000  0.048  0.742  1.0
  S  S24  1  0.000  0.257  0.491  1.0
  S  S25  1  0.000  0.757  0.509  1.0
  S  S26  1  0.500  0.980  0.031  1.0
  S  S27  1  0.500  0.480  0.969  1.0
  S  S28  1  0.500  0.703  0.124  1.0
  S  S29  1  0.500  0.203  0.876  1.0
  S  S30  1  0.500  0.356  0.157  1.0
  S  S31  1  0.500  0.856  0.843  1.0
  S  S32  1  0.500  0.092  0.323  1.0
  S  S33  1  0.500  0.592  0.677  1.0
  S  S34  1  0.500  0.390  0.360  1.0
  S  S35  1  0.500  0.890  0.640  1.0
  S  S36  1  0.500  0.709  0.374  1.0
  S  S37  1  0.500  0.209  0.626  1.0
  S  S38  1  0.500  0.011  0.490  1.0
  S  S39  1  0.500  0.511  0.510  1.0
[/CIF]
.