The crystal structure described by Ce3Y(Au2In)4 is Heusler-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to one Au(1), one Au(3), three equivalent Au(2), and three equivalent Au(4) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to two equivalent Au(2) and six equivalent Au(1) atoms. In the third Ce site, Ce(1) is bonded in a body-centered cubic geometry to one Au(1), one Au(3), three equivalent Au(2), and three equivalent Au(4) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent Au(4) and six Au(3,3) atoms. There are eight inequivalent Au sites. In the first Au site, Au(2) is bonded in a body-centered cubic geometry to one Ce(2), three equivalent Ce(1), one In(2), and three equivalent In(1) atoms. In the second Au site, Au(1) is bonded in a body-centered cubic geometry to one Ce(1), three equivalent Ce(2), and four equivalent In(1) atoms. In the third Au site, Au(1) is bonded in a body-centered cubic geometry to one Ce(1), three equivalent Ce(2), and four equivalent In(1) atoms. In the fourth Au site, Au(1) is bonded in a body-centered cubic geometry to one Ce(1), three equivalent Ce(2), and four equivalent In(1) atoms. In the fifth Au site, Au(2) is bonded in a body-centered cubic geometry to one Ce(2), three equivalent Ce(1), one In(2), and three equivalent In(1) atoms. In the sixth Au site, Au(3) is bonded in a body-centered cubic geometry to one Ce(1), three equivalent Y(1), and four equivalent In(2) atoms. In the seventh Au site, Au(4) is bonded in a body-centered cubic geometry to three equivalent Ce(1), one Y(1), one In(1), and three equivalent In(2) atoms. In the eighth Au site, Au(3) is bonded in a body-centered cubic geometry to one Ce(1), three equivalent Y(1), and four equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted body-centered cubic geometry to one Au(4), three equivalent Au(2), and four equivalent Au(1) atoms. In the second In site, In(2) is bonded in a distorted body-centered cubic geometry to one Au(2), three equivalent Au(4), and four equivalent Au(3) atoms. is represented by the CIF file [CIF]
data_Ce3Y(InAu2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.206
_cell_length_b   16.206
_cell_length_c   16.206
_cell_angle_alpha   18.047
_cell_angle_beta   18.047
_cell_angle_gamma   18.047
_symmetry_Int_Tables_number   1
_cell_volume   356.661
_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  0.250  0.250  0.250  1.0
  Ce  Ce1  1  0.500  0.500  0.500  1.0
  Ce  Ce2  1  0.750  0.750  0.750  1.0
  Y  Y3  1  0.000  0.000  0.000  1.0
  In  In4  1  0.875  0.875  0.875  1.0
  In  In5  1  0.125  0.125  0.125  1.0
  In  In6  1  0.375  0.375  0.375  1.0
  In  In7  1  0.625  0.625  0.625  1.0
  Au  Au8  1  0.186  0.186  0.186  1.0
  Au  Au9  1  0.436  0.436  0.436  1.0
  Au  Au10  1  0.685  0.685  0.685  1.0
  Au  Au11  1  0.937  0.937  0.937  1.0
  Au  Au12  1  0.814  0.814  0.814  1.0
  Au  Au13  1  0.063  0.063  0.063  1.0
  Au  Au14  1  0.315  0.315  0.315  1.0
  Au  Au15  1  0.564  0.564  0.564  1.0
[/CIF]
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The crystal structure described by Ce3Y(Au2In)4 is Heusler-derived structured and crystallizes in the trigonal R-3m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a body-centered cubic geometry to one Au(1), one Au(3), three equivalent Au(2), and three equivalent Au(4) atoms. In the second Ce site, Ce(2) is bonded in a body-centered cubic geometry to two equivalent Au(2) and six equivalent Au(1) atoms. In the third Ce site, Ce(1) is bonded in a body-centered cubic geometry to one Au(1), one Au(3), three equivalent Au(2), and three equivalent Au(4) atoms. Y(1) is bonded in a body-centered cubic geometry to two equivalent Au(4) and six Au(3,3) atoms. There are eight inequivalent Au sites. In the first Au site, Au(2) is bonded in a body-centered cubic geometry to one Ce(2), three equivalent Ce(1), one In(2), and three equivalent In(1) atoms. In the second Au site, Au(1) is bonded in a body-centered cubic geometry to one Ce(1), three equivalent Ce(2), and four equivalent In(1) atoms. In the third Au site, Au(1) is bonded in a body-centered cubic geometry to one Ce(1), three equivalent Ce(2), and four equivalent In(1) atoms. In the fourth Au site, Au(1) is bonded in a body-centered cubic geometry to one Ce(1), three equivalent Ce(2), and four equivalent In(1) atoms. In the fifth Au site, Au(2) is bonded in a body-centered cubic geometry to one Ce(2), three equivalent Ce(1), one In(2), and three equivalent In(1) atoms. In the sixth Au site, Au(3) is bonded in a body-centered cubic geometry to one Ce(1), three equivalent Y(1), and four equivalent In(2) atoms. In the seventh Au site, Au(4) is bonded in a body-centered cubic geometry to three equivalent Ce(1), one Y(1), one In(1), and three equivalent In(2) atoms. In the eighth Au site, Au(3) is bonded in a body-centered cubic geometry to one Ce(1), three equivalent Y(1), and four equivalent In(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted body-centered cubic geometry to one Au(4), three equivalent Au(2), and four equivalent Au(1) atoms. In the second In site, In(2) is bonded in a distorted body-centered cubic geometry to one Au(2), three equivalent Au(4), and four equivalent Au(3) atoms. is represented by the CIF file [CIF]
data_Ce3Y(InAu2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.206
_cell_length_b   16.206
_cell_length_c   16.206
_cell_angle_alpha   18.047
_cell_angle_beta   18.047
_cell_angle_gamma   18.047
_symmetry_Int_Tables_number   1
_cell_volume   356.661
_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  0.250  0.250  0.250  1.0
  Ce  Ce1  1  0.500  0.500  0.500  1.0
  Ce  Ce2  1  0.750  0.750  0.750  1.0
  Y  Y3  1  0.000  0.000  0.000  1.0
  In  In4  1  0.875  0.875  0.875  1.0
  In  In5  1  0.125  0.125  0.125  1.0
  In  In6  1  0.375  0.375  0.375  1.0
  In  In7  1  0.625  0.625  0.625  1.0
  Au  Au8  1  0.186  0.186  0.186  1.0
  Au  Au9  1  0.436  0.436  0.436  1.0
  Au  Au10  1  0.685  0.685  0.685  1.0
  Au  Au11  1  0.937  0.937  0.937  1.0
  Au  Au12  1  0.814  0.814  0.814  1.0
  Au  Au13  1  0.063  0.063  0.063  1.0
  Au  Au14  1  0.315  0.315  0.315  1.0
  Au  Au15  1  0.564  0.564  0.564  1.0
[/CIF]
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