The crystal structure described by Ce2Sb2Se5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to one Se(5), two equivalent Se(1), two equivalent Se(2), and two equivalent Se(3) atoms. In the second Ce site, Ce(2) is bonded to one Se(1), one Se(3), two equivalent Se(2), and three equivalent Se(4) atoms to form distorted CeSe7 pentagonal bipyramids that share corners with three equivalent Sb(1)Se5 square pyramids and edges with four equivalent Ce(2)Se7 pentagonal bipyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Se(1), two equivalent Se(3), and two equivalent Se(5) atoms to form distorted SbSe5 square pyramids that share corners with three equivalent Ce(2)Se7 pentagonal bipyramids and edges with two equivalent Sb(1)Se5 square pyramids. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Se(2) and two equivalent Se(5) atoms. There are five inequivalent Se sites. In the first Se site, Se(5) is bonded to one Ce(1), two equivalent Sb(1), and two equivalent Sb(2) atoms to form distorted SeCeSb4 square pyramids that share edges with two equivalent Se(2)Ce4Sb square pyramids and edges with two equivalent Se(5)CeSb4 square pyramids. In the second Se site, Se(1) is bonded in a 4-coordinate geometry to one Ce(2), two equivalent Ce(1), and one Sb(1) atom. In the third Se site, Se(2) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Sb(2) atom to form SeCe4Sb square pyramids that share edges with two equivalent Se(2)Ce4Sb square pyramids and edges with two equivalent Se(5)CeSb4 square pyramids. In the fourth Se site, Se(3) is bonded in a 5-coordinate geometry to one Ce(2), two equivalent Ce(1), and two equivalent Sb(1) atoms. In the fifth Se site, Se(4) is bonded in a 3-coordinate geometry to three equivalent Ce(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Sb2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.225
_cell_length_b   11.905
_cell_length_c   19.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   980.130
_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  0.314  0.717  1.0
  Ce  Ce1  1  0.250  0.186  0.217  1.0
  Ce  Ce2  1  0.750  0.686  0.283  1.0
  Ce  Ce3  1  0.750  0.814  0.783  1.0
  Ce  Ce4  1  0.250  0.999  0.603  1.0
  Ce  Ce5  1  0.250  0.501  0.103  1.0
  Ce  Ce6  1  0.750  0.001  0.397  1.0
  Ce  Ce7  1  0.750  0.499  0.897  1.0
  Sb  Sb8  1  0.250  0.122  0.881  1.0
  Sb  Sb9  1  0.250  0.378  0.381  1.0
  Sb  Sb10  1  0.750  0.878  0.119  1.0
  Sb  Sb11  1  0.750  0.622  0.619  1.0
  Sb  Sb12  1  0.250  0.819  0.985  1.0
  Sb  Sb13  1  0.250  0.681  0.485  1.0
  Sb  Sb14  1  0.750  0.181  0.015  1.0
  Sb  Sb15  1  0.750  0.319  0.515  1.0
  Se  Se16  1  0.250  0.999  0.762  1.0
  Se  Se17  1  0.250  0.501  0.262  1.0
  Se  Se18  1  0.750  0.001  0.238  1.0
  Se  Se19  1  0.750  0.499  0.738  1.0
  Se  Se20  1  0.250  0.819  0.366  1.0
  Se  Se21  1  0.250  0.681  0.866  1.0
  Se  Se22  1  0.750  0.181  0.634  1.0
  Se  Se23  1  0.750  0.319  0.134  1.0
  Se  Se24  1  0.250  0.777  0.675  1.0
  Se  Se25  1  0.250  0.723  0.175  1.0
  Se  Se26  1  0.750  0.223  0.325  1.0
  Se  Se27  1  0.750  0.277  0.825  1.0
  Se  Se28  1  0.250  0.376  0.971  1.0
  Se  Se29  1  0.250  0.124  0.471  1.0
  Se  Se30  1  0.750  0.624  0.029  1.0
  Se  Se31  1  0.750  0.876  0.529  1.0
  Se  Se32  1  0.250  0.446  0.576  1.0
  Se  Se33  1  0.250  0.054  0.076  1.0
  Se  Se34  1  0.750  0.554  0.424  1.0
  Se  Se35  1  0.750  0.946  0.924  1.0
[/CIF]
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The crystal structure described by Ce2Sb2Se5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to one Se(5), two equivalent Se(1), two equivalent Se(2), and two equivalent Se(3) atoms. In the second Ce site, Ce(2) is bonded to one Se(1), one Se(3), two equivalent Se(2), and three equivalent Se(4) atoms to form distorted CeSe7 pentagonal bipyramids that share corners with three equivalent Sb(1)Se5 square pyramids and edges with four equivalent Ce(2)Se7 pentagonal bipyramids. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Se(1), two equivalent Se(3), and two equivalent Se(5) atoms to form distorted SbSe5 square pyramids that share corners with three equivalent Ce(2)Se7 pentagonal bipyramids and edges with two equivalent Sb(1)Se5 square pyramids. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Se(2) and two equivalent Se(5) atoms. There are five inequivalent Se sites. In the first Se site, Se(5) is bonded to one Ce(1), two equivalent Sb(1), and two equivalent Sb(2) atoms to form distorted SeCeSb4 square pyramids that share edges with two equivalent Se(2)Ce4Sb square pyramids and edges with two equivalent Se(5)CeSb4 square pyramids. In the second Se site, Se(1) is bonded in a 4-coordinate geometry to one Ce(2), two equivalent Ce(1), and one Sb(1) atom. In the third Se site, Se(2) is bonded to two equivalent Ce(1), two equivalent Ce(2), and one Sb(2) atom to form SeCe4Sb square pyramids that share edges with two equivalent Se(2)Ce4Sb square pyramids and edges with two equivalent Se(5)CeSb4 square pyramids. In the fourth Se site, Se(3) is bonded in a 5-coordinate geometry to one Ce(2), two equivalent Ce(1), and two equivalent Sb(1) atoms. In the fifth Se site, Se(4) is bonded in a 3-coordinate geometry to three equivalent Ce(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Sb2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.225
_cell_length_b   11.905
_cell_length_c   19.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   980.130
_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  0.314  0.717  1.0
  Ce  Ce1  1  0.250  0.186  0.217  1.0
  Ce  Ce2  1  0.750  0.686  0.283  1.0
  Ce  Ce3  1  0.750  0.814  0.783  1.0
  Ce  Ce4  1  0.250  0.999  0.603  1.0
  Ce  Ce5  1  0.250  0.501  0.103  1.0
  Ce  Ce6  1  0.750  0.001  0.397  1.0
  Ce  Ce7  1  0.750  0.499  0.897  1.0
  Sb  Sb8  1  0.250  0.122  0.881  1.0
  Sb  Sb9  1  0.250  0.378  0.381  1.0
  Sb  Sb10  1  0.750  0.878  0.119  1.0
  Sb  Sb11  1  0.750  0.622  0.619  1.0
  Sb  Sb12  1  0.250  0.819  0.985  1.0
  Sb  Sb13  1  0.250  0.681  0.485  1.0
  Sb  Sb14  1  0.750  0.181  0.015  1.0
  Sb  Sb15  1  0.750  0.319  0.515  1.0
  Se  Se16  1  0.250  0.999  0.762  1.0
  Se  Se17  1  0.250  0.501  0.262  1.0
  Se  Se18  1  0.750  0.001  0.238  1.0
  Se  Se19  1  0.750  0.499  0.738  1.0
  Se  Se20  1  0.250  0.819  0.366  1.0
  Se  Se21  1  0.250  0.681  0.866  1.0
  Se  Se22  1  0.750  0.181  0.634  1.0
  Se  Se23  1  0.750  0.319  0.134  1.0
  Se  Se24  1  0.250  0.777  0.675  1.0
  Se  Se25  1  0.250  0.723  0.175  1.0
  Se  Se26  1  0.750  0.223  0.325  1.0
  Se  Se27  1  0.750  0.277  0.825  1.0
  Se  Se28  1  0.250  0.376  0.971  1.0
  Se  Se29  1  0.250  0.124  0.471  1.0
  Se  Se30  1  0.750  0.624  0.029  1.0
  Se  Se31  1  0.750  0.876  0.529  1.0
  Se  Se32  1  0.250  0.446  0.576  1.0
  Se  Se33  1  0.250  0.054  0.076  1.0
  Se  Se34  1  0.750  0.554  0.424  1.0
  Se  Se35  1  0.750  0.946  0.924  1.0
[/CIF]
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