The structure described by Cs3Y7Se12 crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one Se(2), two equivalent Se(11), two equivalent Se(7), and two equivalent Se(9) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one Se(1), two equivalent Se(10), two equivalent Se(12), and two equivalent Se(8) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one Se(10), one Se(12), two equivalent Se(5), and two equivalent Se(6) atoms. There are seven inequivalent Y sites. In the first Y site, Y(1) is bonded to one Se(11), one Se(3), two equivalent Se(1), and two equivalent Se(5) atoms to form edge-sharing YSe6 octahedra. In the second Y site, Y(2) is bonded to one Se(12), one Se(4), two equivalent Se(2), and two equivalent Se(6) atoms to form edge-sharing YSe6 octahedra. In the third Y site, Y(3) is bonded to one Se(1), one Se(9), two equivalent Se(3), and two equivalent Se(8) atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the fourth Y site, Y(4) is bonded to one Se(10), one Se(2), two equivalent Se(4), and two equivalent Se(7) atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the fifth Y site, Y(5) is bonded to one Se(1), one Se(2), two equivalent Se(11), and two equivalent Se(12) atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the sixth Y site, Y(6) is bonded to one Se(5), one Se(7), two equivalent Se(10), and two equivalent Se(3) atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the seventh Y site, Y(7) is bonded to one Se(6), one Se(8), two equivalent Se(4), and two equivalent Se(9) atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are twelve inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cs(2), one Y(3), one Y(5), and two equivalent Y(1) atoms to form distorted SeCsY4 trigonal bipyramids that share  a cornercorner with one Se(9)Cs2Y3 trigonal bipyramid,  a cornercorner with one Se(2)CsY4 trigonal bipyramid, corners with two equivalent Se(5)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(1)CsY4 trigonal bipyramids, edges with two equivalent Se(3)Y5 square pyramids,  an edgeedge with one Se(5)Cs2Y3 trigonal bipyramid, and edges with two equivalent Se(8)Cs2Y3 trigonal bipyramids. In the second Se site, Se(2) is bonded to one Cs(1), one Y(4), one Y(5), and two equivalent Y(2) atoms to form distorted SeCsY4 trigonal bipyramids that share  a cornercorner with one Se(1)CsY4 trigonal bipyramid, corners with two equivalent Se(9)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(2)CsY4 trigonal bipyramids, edges with two equivalent Se(4)Y5 square pyramids, and edges with two equivalent Se(7)Cs2Y3 trigonal bipyramids. In the third Se site, Se(3) is bonded to one Y(1), two equivalent Y(3), and two equivalent Y(6) atoms to form SeY5 square pyramids that share corners with two equivalent Se(7)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(8)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(9)Cs2Y3 trigonal bipyramids, edges with two equivalent Se(3)Y5 square pyramids,  an edgeedge with one Se(8)Cs2Y3 trigonal bipyramid, edges with two equivalent Se(5)Cs2Y3 trigonal bipyramids, and edges with two equivalent Se(1)CsY4 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to one Y(2), two equivalent Y(4), and two equivalent Y(7) atoms to form SeY5 square pyramids that share corners with two equivalent Se(7)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(8)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(9)Cs2Y3 trigonal bipyramids, edges with two equivalent Se(4)Y5 square pyramids,  an edgeedge with one Se(7)Cs2Y3 trigonal bipyramid,  an edgeedge with one Se(9)Cs2Y3 trigonal bipyramid, and edges with two equivalent Se(2)CsY4 trigonal bipyramids. In the fifth Se site, Se(5) is bonded to two equivalent Cs(3), one Y(6), and two equivalent Y(1) atoms to form distorted SeCs2Y3 trigonal bipyramids that share  a cornercorner with one Se(7)Cs2Y3 trigonal bipyramid, corners with two equivalent Se(1)CsY4 trigonal bipyramids, edges with two equivalent Se(3)Y5 square pyramids,  an edgeedge with one Se(1)CsY4 trigonal bipyramid, and edges with two equivalent Se(5)Cs2Y3 trigonal bipyramids. In the sixth Se site, Se(6) is bonded in a 5-coordinate geometry to two equivalent Cs(3), one Y(7), and two equivalent Y(2) atoms. In the seventh Se site, Se(7) is bonded to two equivalent Cs(1), one Y(6), and two equivalent Y(4) atoms to form distorted SeCs2Y3 trigonal bipyramids that share corners with two equivalent Se(3)Y5 square pyramids, corners with two equivalent Se(4)Y5 square pyramids,  a cornercorner with one Se(5)Cs2Y3 trigonal bipyramid, corners with two equivalent Se(9)Cs2Y3 trigonal bipyramids,  an edgeedge with one Se(4)Y5 square pyramid,  an edgeedge with one Se(9)Cs2Y3 trigonal bipyramid, edges with two equivalent Se(7)Cs2Y3 trigonal bipyramids, and edges with two equivalent Se(2)CsY4 trigonal bipyramids. In the eighth Se site, Se(8) is bonded to two equivalent Cs(2), one Y(7), and two equivalent Y(3) atoms to form distorted SeCs2Y3 trigonal bipyramids that share corners with two equivalent Se(3)Y5 square pyramids, corners with two equivalent Se(4)Y5 square pyramids,  an edgeedge with one Se(3)Y5 square pyramid, edges with two equivalent Se(8)Cs2Y3 trigonal bipyramids, edges with two equivalent Se(9)Cs2Y3 trigonal bipyramids, and edges with two equivalent Se(1)CsY4 trigonal bipyramids. In the ninth Se site, Se(9) is bonded to two equivalent Cs(1), one Y(3), and two equivalent Y(7) atoms to form distorted SeCs2Y3 trigonal bipyramids that share corners with two equivalent Se(3)Y5 square pyramids, corners with two equivalent Se(4)Y5 square pyramids,  a cornercorner with one Se(1)CsY4 trigonal bipyramid, corners with two equivalent Se(7)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(2)CsY4 trigonal bipyramids,  an edgeedge with one Se(4)Y5 square pyramid,  an edgeedge with one Se(7)Cs2Y3 trigonal bipyramid, edges with two equivalent Se(8)Cs2Y3 trigonal bipyramids, and edges with two equivalent Se(9)Cs2Y3 trigonal bipyramids. In the tenth Se site, Se(10) is bonded in a 6-coordinate geometry to one Cs(3), two equivalent Cs(2), one Y(4), and two equivalent Y(6) atoms. In the eleventh Se site, Se(11) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Y(1), and two equivalent Y(5) atoms. In the twelfth Se site, Se(12) is bonded in a 6-coordinate geometry to one Cs(3), two equivalent Cs(2), one Y(2), and two equivalent Y(5) atoms. is represented by the CIF card [CIF]
data_Cs3Y7Se12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.173
_cell_length_b   12.832
_cell_length_c   26.428
_cell_angle_alpha   90.003
_cell_angle_beta   90.001
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   1415.149
_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
  Cs  Cs0  1  0.500  0.523  0.127  1.0
  Cs  Cs1  1  0.500  0.969  0.866  1.0
  Cs  Cs2  1  0.000  0.031  0.366  1.0
  Cs  Cs3  1  0.000  0.477  0.627  1.0
  Cs  Cs4  1  0.500  0.802  0.475  1.0
  Cs  Cs5  1  0.000  0.198  0.975  1.0
  Y  Y6  1  0.500  0.462  0.416  1.0
  Y  Y7  1  0.500  0.037  0.586  1.0
  Y  Y8  1  0.000  0.963  0.086  1.0
  Y  Y9  1  1.000  0.538  0.916  1.0
  Y  Y10  1  0.500  0.666  0.788  1.0
  Y  Y11  1  0.500  0.833  0.211  1.0
  Y  Y12  1  0.000  0.167  0.711  1.0
  Y  Y13  1  0.000  0.334  0.288  1.0
  Y  Y14  1  1.000  0.247  0.499  1.0
  Y  Y15  1  0.500  0.753  0.999  1.0
  Y  Y16  1  0.500  0.338  0.815  1.0
  Y  Y17  1  0.500  0.164  0.184  1.0
  Y  Y18  1  0.000  0.836  0.684  1.0
  Y  Y19  1  1.000  0.662  0.315  1.0
  Se  Se20  1  0.500  0.687  0.896  1.0
  Se  Se21  1  0.500  0.813  0.104  1.0
  Se  Se22  1  1.000  0.186  0.604  1.0
  Se  Se23  1  0.000  0.313  0.396  1.0
  Se  Se24  1  0.500  0.496  0.303  1.0
  Se  Se25  1  0.500  0.004  0.698  1.0
  Se  Se26  1  0.000  0.996  0.198  1.0
  Se  Se27  1  1.000  0.504  0.803  1.0
  Se  Se28  1  0.500  0.387  0.920  1.0
  Se  Se29  1  0.500  0.115  0.080  1.0
  Se  Se30  1  1.000  0.885  0.580  1.0
  Se  Se31  1  0.000  0.613  0.420  1.0
  Se  Se32  1  0.500  0.313  0.710  1.0
  Se  Se33  1  0.500  0.189  0.290  1.0
  Se  Se34  1  1.000  0.811  0.790  1.0
  Se  Se35  1  0.000  0.687  0.210  1.0
  Se  Se36  1  0.500  0.688  0.681  1.0
  Se  Se37  1  0.500  0.812  0.321  1.0
  Se  Se38  1  1.000  0.188  0.821  1.0
  Se  Se39  1  0.000  0.312  0.181  1.0
  Se  Se40  1  0.500  0.397  0.516  1.0
  Se  Se41  1  0.500  0.094  0.483  1.0
  Se  Se42  1  1.000  0.906  0.983  1.0
  Se  Se43  1  0.000  0.603  0.016  1.0
[/CIF]
.
The structure described by Cs3Y7Se12 crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one Se(2), two equivalent Se(11), two equivalent Se(7), and two equivalent Se(9) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one Se(1), two equivalent Se(10), two equivalent Se(12), and two equivalent Se(8) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one Se(10), one Se(12), two equivalent Se(5), and two equivalent Se(6) atoms. There are seven inequivalent Y sites. In the first Y site, Y(1) is bonded to one Se(11), one Se(3), two equivalent Se(1), and two equivalent Se(5) atoms to form edge-sharing YSe6 octahedra. In the second Y site, Y(2) is bonded to one Se(12), one Se(4), two equivalent Se(2), and two equivalent Se(6) atoms to form edge-sharing YSe6 octahedra. In the third Y site, Y(3) is bonded to one Se(1), one Se(9), two equivalent Se(3), and two equivalent Se(8) atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the fourth Y site, Y(4) is bonded to one Se(10), one Se(2), two equivalent Se(4), and two equivalent Se(7) atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the fifth Y site, Y(5) is bonded to one Se(1), one Se(2), two equivalent Se(11), and two equivalent Se(12) atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the sixth Y site, Y(6) is bonded to one Se(5), one Se(7), two equivalent Se(10), and two equivalent Se(3) atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the seventh Y site, Y(7) is bonded to one Se(6), one Se(8), two equivalent Se(4), and two equivalent Se(9) atoms to form a mixture of edge and corner-sharing YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are twelve inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cs(2), one Y(3), one Y(5), and two equivalent Y(1) atoms to form distorted SeCsY4 trigonal bipyramids that share  a cornercorner with one Se(9)Cs2Y3 trigonal bipyramid,  a cornercorner with one Se(2)CsY4 trigonal bipyramid, corners with two equivalent Se(5)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(1)CsY4 trigonal bipyramids, edges with two equivalent Se(3)Y5 square pyramids,  an edgeedge with one Se(5)Cs2Y3 trigonal bipyramid, and edges with two equivalent Se(8)Cs2Y3 trigonal bipyramids. In the second Se site, Se(2) is bonded to one Cs(1), one Y(4), one Y(5), and two equivalent Y(2) atoms to form distorted SeCsY4 trigonal bipyramids that share  a cornercorner with one Se(1)CsY4 trigonal bipyramid, corners with two equivalent Se(9)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(2)CsY4 trigonal bipyramids, edges with two equivalent Se(4)Y5 square pyramids, and edges with two equivalent Se(7)Cs2Y3 trigonal bipyramids. In the third Se site, Se(3) is bonded to one Y(1), two equivalent Y(3), and two equivalent Y(6) atoms to form SeY5 square pyramids that share corners with two equivalent Se(7)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(8)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(9)Cs2Y3 trigonal bipyramids, edges with two equivalent Se(3)Y5 square pyramids,  an edgeedge with one Se(8)Cs2Y3 trigonal bipyramid, edges with two equivalent Se(5)Cs2Y3 trigonal bipyramids, and edges with two equivalent Se(1)CsY4 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to one Y(2), two equivalent Y(4), and two equivalent Y(7) atoms to form SeY5 square pyramids that share corners with two equivalent Se(7)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(8)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(9)Cs2Y3 trigonal bipyramids, edges with two equivalent Se(4)Y5 square pyramids,  an edgeedge with one Se(7)Cs2Y3 trigonal bipyramid,  an edgeedge with one Se(9)Cs2Y3 trigonal bipyramid, and edges with two equivalent Se(2)CsY4 trigonal bipyramids. In the fifth Se site, Se(5) is bonded to two equivalent Cs(3), one Y(6), and two equivalent Y(1) atoms to form distorted SeCs2Y3 trigonal bipyramids that share  a cornercorner with one Se(7)Cs2Y3 trigonal bipyramid, corners with two equivalent Se(1)CsY4 trigonal bipyramids, edges with two equivalent Se(3)Y5 square pyramids,  an edgeedge with one Se(1)CsY4 trigonal bipyramid, and edges with two equivalent Se(5)Cs2Y3 trigonal bipyramids. In the sixth Se site, Se(6) is bonded in a 5-coordinate geometry to two equivalent Cs(3), one Y(7), and two equivalent Y(2) atoms. In the seventh Se site, Se(7) is bonded to two equivalent Cs(1), one Y(6), and two equivalent Y(4) atoms to form distorted SeCs2Y3 trigonal bipyramids that share corners with two equivalent Se(3)Y5 square pyramids, corners with two equivalent Se(4)Y5 square pyramids,  a cornercorner with one Se(5)Cs2Y3 trigonal bipyramid, corners with two equivalent Se(9)Cs2Y3 trigonal bipyramids,  an edgeedge with one Se(4)Y5 square pyramid,  an edgeedge with one Se(9)Cs2Y3 trigonal bipyramid, edges with two equivalent Se(7)Cs2Y3 trigonal bipyramids, and edges with two equivalent Se(2)CsY4 trigonal bipyramids. In the eighth Se site, Se(8) is bonded to two equivalent Cs(2), one Y(7), and two equivalent Y(3) atoms to form distorted SeCs2Y3 trigonal bipyramids that share corners with two equivalent Se(3)Y5 square pyramids, corners with two equivalent Se(4)Y5 square pyramids,  an edgeedge with one Se(3)Y5 square pyramid, edges with two equivalent Se(8)Cs2Y3 trigonal bipyramids, edges with two equivalent Se(9)Cs2Y3 trigonal bipyramids, and edges with two equivalent Se(1)CsY4 trigonal bipyramids. In the ninth Se site, Se(9) is bonded to two equivalent Cs(1), one Y(3), and two equivalent Y(7) atoms to form distorted SeCs2Y3 trigonal bipyramids that share corners with two equivalent Se(3)Y5 square pyramids, corners with two equivalent Se(4)Y5 square pyramids,  a cornercorner with one Se(1)CsY4 trigonal bipyramid, corners with two equivalent Se(7)Cs2Y3 trigonal bipyramids, corners with two equivalent Se(2)CsY4 trigonal bipyramids,  an edgeedge with one Se(4)Y5 square pyramid,  an edgeedge with one Se(7)Cs2Y3 trigonal bipyramid, edges with two equivalent Se(8)Cs2Y3 trigonal bipyramids, and edges with two equivalent Se(9)Cs2Y3 trigonal bipyramids. In the tenth Se site, Se(10) is bonded in a 6-coordinate geometry to one Cs(3), two equivalent Cs(2), one Y(4), and two equivalent Y(6) atoms. In the eleventh Se site, Se(11) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Y(1), and two equivalent Y(5) atoms. In the twelfth Se site, Se(12) is bonded in a 6-coordinate geometry to one Cs(3), two equivalent Cs(2), one Y(2), and two equivalent Y(5) atoms. is represented by the CIF card [CIF]
data_Cs3Y7Se12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.173
_cell_length_b   12.832
_cell_length_c   26.428
_cell_angle_alpha   90.003
_cell_angle_beta   90.001
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   1415.149
_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
  Cs  Cs0  1  0.500  0.523  0.127  1.0
  Cs  Cs1  1  0.500  0.969  0.866  1.0
  Cs  Cs2  1  0.000  0.031  0.366  1.0
  Cs  Cs3  1  0.000  0.477  0.627  1.0
  Cs  Cs4  1  0.500  0.802  0.475  1.0
  Cs  Cs5  1  0.000  0.198  0.975  1.0
  Y  Y6  1  0.500  0.462  0.416  1.0
  Y  Y7  1  0.500  0.037  0.586  1.0
  Y  Y8  1  0.000  0.963  0.086  1.0
  Y  Y9  1  1.000  0.538  0.916  1.0
  Y  Y10  1  0.500  0.666  0.788  1.0
  Y  Y11  1  0.500  0.833  0.211  1.0
  Y  Y12  1  0.000  0.167  0.711  1.0
  Y  Y13  1  0.000  0.334  0.288  1.0
  Y  Y14  1  1.000  0.247  0.499  1.0
  Y  Y15  1  0.500  0.753  0.999  1.0
  Y  Y16  1  0.500  0.338  0.815  1.0
  Y  Y17  1  0.500  0.164  0.184  1.0
  Y  Y18  1  0.000  0.836  0.684  1.0
  Y  Y19  1  1.000  0.662  0.315  1.0
  Se  Se20  1  0.500  0.687  0.896  1.0
  Se  Se21  1  0.500  0.813  0.104  1.0
  Se  Se22  1  1.000  0.186  0.604  1.0
  Se  Se23  1  0.000  0.313  0.396  1.0
  Se  Se24  1  0.500  0.496  0.303  1.0
  Se  Se25  1  0.500  0.004  0.698  1.0
  Se  Se26  1  0.000  0.996  0.198  1.0
  Se  Se27  1  1.000  0.504  0.803  1.0
  Se  Se28  1  0.500  0.387  0.920  1.0
  Se  Se29  1  0.500  0.115  0.080  1.0
  Se  Se30  1  1.000  0.885  0.580  1.0
  Se  Se31  1  0.000  0.613  0.420  1.0
  Se  Se32  1  0.500  0.313  0.710  1.0
  Se  Se33  1  0.500  0.189  0.290  1.0
  Se  Se34  1  1.000  0.811  0.790  1.0
  Se  Se35  1  0.000  0.687  0.210  1.0
  Se  Se36  1  0.500  0.688  0.681  1.0
  Se  Se37  1  0.500  0.812  0.321  1.0
  Se  Se38  1  1.000  0.188  0.821  1.0
  Se  Se39  1  0.000  0.312  0.181  1.0
  Se  Se40  1  0.500  0.397  0.516  1.0
  Se  Se41  1  0.500  0.094  0.483  1.0
  Se  Se42  1  1.000  0.906  0.983  1.0
  Se  Se43  1  0.000  0.603  0.016  1.0
[/CIF]
.