The crystal structure described by CeYIn6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded to four equivalent In(1) and eight equivalent In(3) atoms to form CeIn12 cuboctahedra that share corners with four equivalent Ce(1)In12 cuboctahedra, corners with eight equivalent Y(1)In12 cuboctahedra, edges with eight equivalent In(2)Y4In8 cuboctahedra, edges with sixteen equivalent In(3)Ce2Y2In8 cuboctahedra, faces with two equivalent Y(1)In12 cuboctahedra, faces with four equivalent Ce(1)In12 cuboctahedra, faces with four equivalent In(1)Ce4In8 cuboctahedra, and faces with eight equivalent In(3)Ce2Y2In8 cuboctahedra. Y(1) is bonded to four equivalent In(2) and eight equivalent In(3) atoms to form YIn12 cuboctahedra that share corners with four equivalent Y(1)In12 cuboctahedra, corners with eight equivalent Ce(1)In12 cuboctahedra, edges with eight equivalent In(1)Ce4In8 cuboctahedra, edges with sixteen equivalent In(3)Ce2Y2In8 cuboctahedra, faces with two equivalent Ce(1)In12 cuboctahedra, faces with four equivalent Y(1)In12 cuboctahedra, faces with four equivalent In(2)Y4In8 cuboctahedra, and faces with eight equivalent In(3)Ce2Y2In8 cuboctahedra. There are three inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Ce(1) and eight equivalent In(3) atoms to form distorted InCe4In8 cuboctahedra that share corners with four equivalent In(1)Ce4In8 cuboctahedra, corners with eight equivalent In(2)Y4In8 cuboctahedra, edges with eight equivalent Y(1)In12 cuboctahedra, edges with sixteen equivalent In(3)Ce2Y2In8 cuboctahedra, faces with two equivalent In(2)Y4In8 cuboctahedra, faces with four equivalent Ce(1)In12 cuboctahedra, faces with four equivalent In(1)Ce4In8 cuboctahedra, and faces with eight equivalent In(3)Ce2Y2In8 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Y(1) and eight equivalent In(3) atoms to form distorted InY4In8 cuboctahedra that share corners with four equivalent In(2)Y4In8 cuboctahedra, corners with eight equivalent In(1)Ce4In8 cuboctahedra, edges with eight equivalent Ce(1)In12 cuboctahedra, edges with sixteen equivalent In(3)Ce2Y2In8 cuboctahedra, faces with two equivalent In(1)Ce4In8 cuboctahedra, faces with four equivalent Y(1)In12 cuboctahedra, faces with four equivalent In(2)Y4In8 cuboctahedra, and faces with eight equivalent In(3)Ce2Y2In8 cuboctahedra. In the third In site, In(3) is bonded to two equivalent Ce(1), two equivalent Y(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form distorted InCe2Y2In8 cuboctahedra that share corners with twelve equivalent In(3)Ce2Y2In8 cuboctahedra, edges with four equivalent Ce(1)In12 cuboctahedra, edges with four equivalent Y(1)In12 cuboctahedra, edges with four equivalent In(1)Ce4In8 cuboctahedra, edges with four equivalent In(2)Y4In8 cuboctahedra, edges with eight equivalent In(3)Ce2Y2In8 cuboctahedra, faces with two equivalent Ce(1)In12 cuboctahedra, faces with two equivalent Y(1)In12 cuboctahedra, faces with two equivalent In(1)Ce4In8 cuboctahedra, faces with two equivalent In(2)Y4In8 cuboctahedra, and faces with ten equivalent In(3)Ce2Y2In8 cuboctahedra. is represented by the CIF card [CIF]
data_CeYIn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.685
_cell_length_b   4.685
_cell_length_c   9.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.054
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Y  Y1  1  0.000  0.000  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  In  In3  1  0.500  0.500  0.500  1.0
  In  In4  1  0.500  0.000  0.253  1.0
  In  In5  1  0.500  0.000  0.747  1.0
  In  In6  1  0.000  0.500  0.253  1.0
  In  In7  1  0.000  0.500  0.747  1.0
[/CIF]
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The crystal structure described by CeYIn6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Ce(1) is bonded to four equivalent In(1) and eight equivalent In(3) atoms to form CeIn12 cuboctahedra that share corners with four equivalent Ce(1)In12 cuboctahedra, corners with eight equivalent Y(1)In12 cuboctahedra, edges with eight equivalent In(2)Y4In8 cuboctahedra, edges with sixteen equivalent In(3)Ce2Y2In8 cuboctahedra, faces with two equivalent Y(1)In12 cuboctahedra, faces with four equivalent Ce(1)In12 cuboctahedra, faces with four equivalent In(1)Ce4In8 cuboctahedra, and faces with eight equivalent In(3)Ce2Y2In8 cuboctahedra. Y(1) is bonded to four equivalent In(2) and eight equivalent In(3) atoms to form YIn12 cuboctahedra that share corners with four equivalent Y(1)In12 cuboctahedra, corners with eight equivalent Ce(1)In12 cuboctahedra, edges with eight equivalent In(1)Ce4In8 cuboctahedra, edges with sixteen equivalent In(3)Ce2Y2In8 cuboctahedra, faces with two equivalent Ce(1)In12 cuboctahedra, faces with four equivalent Y(1)In12 cuboctahedra, faces with four equivalent In(2)Y4In8 cuboctahedra, and faces with eight equivalent In(3)Ce2Y2In8 cuboctahedra. There are three inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Ce(1) and eight equivalent In(3) atoms to form distorted InCe4In8 cuboctahedra that share corners with four equivalent In(1)Ce4In8 cuboctahedra, corners with eight equivalent In(2)Y4In8 cuboctahedra, edges with eight equivalent Y(1)In12 cuboctahedra, edges with sixteen equivalent In(3)Ce2Y2In8 cuboctahedra, faces with two equivalent In(2)Y4In8 cuboctahedra, faces with four equivalent Ce(1)In12 cuboctahedra, faces with four equivalent In(1)Ce4In8 cuboctahedra, and faces with eight equivalent In(3)Ce2Y2In8 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Y(1) and eight equivalent In(3) atoms to form distorted InY4In8 cuboctahedra that share corners with four equivalent In(2)Y4In8 cuboctahedra, corners with eight equivalent In(1)Ce4In8 cuboctahedra, edges with eight equivalent Ce(1)In12 cuboctahedra, edges with sixteen equivalent In(3)Ce2Y2In8 cuboctahedra, faces with two equivalent In(1)Ce4In8 cuboctahedra, faces with four equivalent Y(1)In12 cuboctahedra, faces with four equivalent In(2)Y4In8 cuboctahedra, and faces with eight equivalent In(3)Ce2Y2In8 cuboctahedra. In the third In site, In(3) is bonded to two equivalent Ce(1), two equivalent Y(1), two equivalent In(1), two equivalent In(2), and four equivalent In(3) atoms to form distorted InCe2Y2In8 cuboctahedra that share corners with twelve equivalent In(3)Ce2Y2In8 cuboctahedra, edges with four equivalent Ce(1)In12 cuboctahedra, edges with four equivalent Y(1)In12 cuboctahedra, edges with four equivalent In(1)Ce4In8 cuboctahedra, edges with four equivalent In(2)Y4In8 cuboctahedra, edges with eight equivalent In(3)Ce2Y2In8 cuboctahedra, faces with two equivalent Ce(1)In12 cuboctahedra, faces with two equivalent Y(1)In12 cuboctahedra, faces with two equivalent In(1)Ce4In8 cuboctahedra, faces with two equivalent In(2)Y4In8 cuboctahedra, and faces with ten equivalent In(3)Ce2Y2In8 cuboctahedra. is represented by the CIF card [CIF]
data_CeYIn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.685
_cell_length_b   4.685
_cell_length_c   9.250
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   203.054
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Y  Y1  1  0.000  0.000  0.500  1.0
  In  In2  1  0.500  0.500  0.000  1.0
  In  In3  1  0.500  0.500  0.500  1.0
  In  In4  1  0.500  0.000  0.253  1.0
  In  In5  1  0.500  0.000  0.747  1.0
  In  In6  1  0.000  0.500  0.253  1.0
  In  In7  1  0.000  0.500  0.747  1.0
[/CIF]
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