The compound described by Ce2CuInSe5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one Se(2), two equivalent Se(3), two equivalent Se(4), and three equivalent Se(1) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to one Cu(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. Cu(1) is bonded in a 4-coordinate geometry to one Ce(2), one Se(4), and three equivalent Se(5) atoms. In(1) is bonded to one Se(3), one Se(5), two equivalent Se(1), and two equivalent Se(2) atoms to form edge-sharing InSe6 octahedra. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Ce(1) and two equivalent In(1) atoms to form SeCe3In2 trigonal bipyramids that share corners with two equivalent Se(3)Ce4In square pyramids, corners with four equivalent Se(4)Ce4Cu trigonal bipyramids, corners with five equivalent Se(2)Ce3In2 trigonal bipyramids, edges with three equivalent Se(3)Ce4In square pyramids,  an edgeedge with one Se(2)Ce3In2 trigonal bipyramid,  an edgeedge with one Se(4)Ce4Cu trigonal bipyramid, and edges with four equivalent Se(1)Ce3In2 trigonal bipyramids. In the second Se site, Se(2) is bonded to one Ce(1), two equivalent Ce(2), and two equivalent In(1) atoms to form SeCe3In2 trigonal bipyramids that share corners with two equivalent Se(4)Ce4Cu trigonal bipyramids, corners with four equivalent Se(2)Ce3In2 trigonal bipyramids, corners with five equivalent Se(1)Ce3In2 trigonal bipyramids, edges with four equivalent Se(3)Ce4In square pyramids,  an edgeedge with one Se(1)Ce3In2 trigonal bipyramid, and edges with two equivalent Se(4)Ce4Cu trigonal bipyramids. In the third Se site, Se(3) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one In(1) atom to form SeCe4In square pyramids that share corners with two equivalent Se(1)Ce3In2 trigonal bipyramids, corners with four equivalent Se(4)Ce4Cu trigonal bipyramids, edges with two equivalent Se(3)Ce4In square pyramids, edges with two equivalent Se(4)Ce4Cu trigonal bipyramids, edges with three equivalent Se(1)Ce3In2 trigonal bipyramids, and edges with four equivalent Se(2)Ce3In2 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Cu(1) atom to form SeCe4Cu trigonal bipyramids that share corners with four equivalent Se(3)Ce4In square pyramids, corners with two equivalent Se(2)Ce3In2 trigonal bipyramids, corners with four equivalent Se(1)Ce3In2 trigonal bipyramids, edges with two equivalent Se(3)Ce4In square pyramids,  an edgeedge with one Se(1)Ce3In2 trigonal bipyramid, edges with two equivalent Se(2)Ce3In2 trigonal bipyramids, and edges with two equivalent Se(4)Ce4Cu trigonal bipyramids. In the fifth Se site, Se(5) is bonded in a 6-coordinate geometry to two equivalent Ce(2), three equivalent Cu(1), and one In(1) atom. is represented by the CIF card [CIF]
data_Ce2InCuSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.094
_cell_length_b   12.120
_cell_length_c   17.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   860.894
_cell_formula_units_Z   4
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
  Ce  Ce0  1  0.250  0.137  0.406  1.0
  Ce  Ce1  1  0.750  0.024  0.821  1.0
  Ce  Ce2  1  0.250  0.637  0.094  1.0
  Ce  Ce3  1  0.750  0.363  0.906  1.0
  Ce  Ce4  1  0.250  0.476  0.321  1.0
  Ce  Ce5  1  0.250  0.976  0.179  1.0
  Ce  Ce6  1  0.750  0.863  0.594  1.0
  Ce  Ce7  1  0.750  0.524  0.679  1.0
  In  In8  1  0.250  0.691  0.861  1.0
  In  In9  1  0.750  0.809  0.361  1.0
  In  In10  1  0.750  0.309  0.139  1.0
  In  In11  1  0.250  0.191  0.639  1.0
  Cu  Cu12  1  0.250  0.079  0.005  1.0
  Cu  Cu13  1  0.250  0.579  0.495  1.0
  Cu  Cu14  1  0.750  0.421  0.505  1.0
  Cu  Cu15  1  0.750  0.921  0.995  1.0
  Se  Se16  1  0.750  0.107  0.536  1.0
  Se  Se17  1  0.750  0.263  0.732  1.0
  Se  Se18  1  0.750  0.518  0.196  1.0
  Se  Se19  1  0.250  0.683  0.614  1.0
  Se  Se20  1  0.250  0.893  0.464  1.0
  Se  Se21  1  0.750  0.317  0.386  1.0
  Se  Se22  1  0.250  0.237  0.232  1.0
  Se  Se23  1  0.750  0.099  0.079  1.0
  Se  Se24  1  0.250  0.482  0.804  1.0
  Se  Se25  1  0.250  0.401  0.579  1.0
  Se  Se26  1  0.750  0.607  0.964  1.0
  Se  Se27  1  0.750  0.018  0.304  1.0
  Se  Se28  1  0.250  0.183  0.886  1.0
  Se  Se29  1  0.250  0.901  0.921  1.0
  Se  Se30  1  0.250  0.737  0.268  1.0
  Se  Se31  1  0.750  0.599  0.421  1.0
  Se  Se32  1  0.750  0.817  0.114  1.0
  Se  Se33  1  0.750  0.763  0.768  1.0
  Se  Se34  1  0.250  0.982  0.696  1.0
  Se  Se35  1  0.250  0.393  0.036  1.0
[/CIF]
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The compound described by Ce2CuInSe5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 8-coordinate geometry to one Se(2), two equivalent Se(3), two equivalent Se(4), and three equivalent Se(1) atoms. In the second Ce site, Ce(2) is bonded in a 9-coordinate geometry to one Cu(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(5) atoms. Cu(1) is bonded in a 4-coordinate geometry to one Ce(2), one Se(4), and three equivalent Se(5) atoms. In(1) is bonded to one Se(3), one Se(5), two equivalent Se(1), and two equivalent Se(2) atoms to form edge-sharing InSe6 octahedra. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded to three equivalent Ce(1) and two equivalent In(1) atoms to form SeCe3In2 trigonal bipyramids that share corners with two equivalent Se(3)Ce4In square pyramids, corners with four equivalent Se(4)Ce4Cu trigonal bipyramids, corners with five equivalent Se(2)Ce3In2 trigonal bipyramids, edges with three equivalent Se(3)Ce4In square pyramids,  an edgeedge with one Se(2)Ce3In2 trigonal bipyramid,  an edgeedge with one Se(4)Ce4Cu trigonal bipyramid, and edges with four equivalent Se(1)Ce3In2 trigonal bipyramids. In the second Se site, Se(2) is bonded to one Ce(1), two equivalent Ce(2), and two equivalent In(1) atoms to form SeCe3In2 trigonal bipyramids that share corners with two equivalent Se(4)Ce4Cu trigonal bipyramids, corners with four equivalent Se(2)Ce3In2 trigonal bipyramids, corners with five equivalent Se(1)Ce3In2 trigonal bipyramids, edges with four equivalent Se(3)Ce4In square pyramids,  an edgeedge with one Se(1)Ce3In2 trigonal bipyramid, and edges with two equivalent Se(4)Ce4Cu trigonal bipyramids. In the third Se site, Se(3) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one In(1) atom to form SeCe4In square pyramids that share corners with two equivalent Se(1)Ce3In2 trigonal bipyramids, corners with four equivalent Se(4)Ce4Cu trigonal bipyramids, edges with two equivalent Se(3)Ce4In square pyramids, edges with two equivalent Se(4)Ce4Cu trigonal bipyramids, edges with three equivalent Se(1)Ce3In2 trigonal bipyramids, and edges with four equivalent Se(2)Ce3In2 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Cu(1) atom to form SeCe4Cu trigonal bipyramids that share corners with four equivalent Se(3)Ce4In square pyramids, corners with two equivalent Se(2)Ce3In2 trigonal bipyramids, corners with four equivalent Se(1)Ce3In2 trigonal bipyramids, edges with two equivalent Se(3)Ce4In square pyramids,  an edgeedge with one Se(1)Ce3In2 trigonal bipyramid, edges with two equivalent Se(2)Ce3In2 trigonal bipyramids, and edges with two equivalent Se(4)Ce4Cu trigonal bipyramids. In the fifth Se site, Se(5) is bonded in a 6-coordinate geometry to two equivalent Ce(2), three equivalent Cu(1), and one In(1) atom. is represented by the CIF card [CIF]
data_Ce2InCuSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.094
_cell_length_b   12.120
_cell_length_c   17.351
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   860.894
_cell_formula_units_Z   4
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
  Ce  Ce0  1  0.250  0.137  0.406  1.0
  Ce  Ce1  1  0.750  0.024  0.821  1.0
  Ce  Ce2  1  0.250  0.637  0.094  1.0
  Ce  Ce3  1  0.750  0.363  0.906  1.0
  Ce  Ce4  1  0.250  0.476  0.321  1.0
  Ce  Ce5  1  0.250  0.976  0.179  1.0
  Ce  Ce6  1  0.750  0.863  0.594  1.0
  Ce  Ce7  1  0.750  0.524  0.679  1.0
  In  In8  1  0.250  0.691  0.861  1.0
  In  In9  1  0.750  0.809  0.361  1.0
  In  In10  1  0.750  0.309  0.139  1.0
  In  In11  1  0.250  0.191  0.639  1.0
  Cu  Cu12  1  0.250  0.079  0.005  1.0
  Cu  Cu13  1  0.250  0.579  0.495  1.0
  Cu  Cu14  1  0.750  0.421  0.505  1.0
  Cu  Cu15  1  0.750  0.921  0.995  1.0
  Se  Se16  1  0.750  0.107  0.536  1.0
  Se  Se17  1  0.750  0.263  0.732  1.0
  Se  Se18  1  0.750  0.518  0.196  1.0
  Se  Se19  1  0.250  0.683  0.614  1.0
  Se  Se20  1  0.250  0.893  0.464  1.0
  Se  Se21  1  0.750  0.317  0.386  1.0
  Se  Se22  1  0.250  0.237  0.232  1.0
  Se  Se23  1  0.750  0.099  0.079  1.0
  Se  Se24  1  0.250  0.482  0.804  1.0
  Se  Se25  1  0.250  0.401  0.579  1.0
  Se  Se26  1  0.750  0.607  0.964  1.0
  Se  Se27  1  0.750  0.018  0.304  1.0
  Se  Se28  1  0.250  0.183  0.886  1.0
  Se  Se29  1  0.250  0.901  0.921  1.0
  Se  Se30  1  0.250  0.737  0.268  1.0
  Se  Se31  1  0.750  0.599  0.421  1.0
  Se  Se32  1  0.750  0.817  0.114  1.0
  Se  Se33  1  0.750  0.763  0.768  1.0
  Se  Se34  1  0.250  0.982  0.696  1.0
  Se  Se35  1  0.250  0.393  0.036  1.0
[/CIF]
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