The material described by CePt2In7 crystallizes in the tetragonal I4/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, faces with four equivalent Ce(1)In12 cuboctahedra, and faces with four equivalent In(1)Ce4In8 cuboctahedra. Pt(1) is bonded in a body-centered cubic geometry to four equivalent In(2) and four equivalent In(3) atoms. 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, faces with four equivalent Ce(1)In12 cuboctahedra, and faces with four equivalent In(1)Ce4In8 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Pt(1) atoms to form a mixture of edge and corner-sharing InPt4 tetrahedra. In the third In site, In(3) is bonded in a 4-coordinate geometry to two equivalent Ce(1), two equivalent Pt(1), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_CeIn7Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.324
_cell_length_b   11.324
_cell_length_c   11.324
_cell_angle_alpha   156.181
_cell_angle_beta   156.181
_cell_angle_gamma   33.937
_symmetry_Int_Tables_number   1
_cell_volume   236.593
_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  0.500  0.500  0.000  1.0
  In  In1  1  0.000  0.000  0.000  1.0
  In  In2  1  0.750  0.250  0.500  1.0
  In  In3  1  0.250  0.750  0.500  1.0
  In  In4  1  0.894  0.394  0.500  1.0
  In  In5  1  0.394  0.894  0.500  1.0
  In  In6  1  0.106  0.606  0.500  1.0
  In  In7  1  0.606  0.106  0.500  1.0
  Pt  Pt8  1  0.675  0.675  0.000  1.0
  Pt  Pt9  1  0.325  0.325  0.000  1.0
[/CIF]
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The material described by CePt2In7 crystallizes in the tetragonal I4/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, faces with four equivalent Ce(1)In12 cuboctahedra, and faces with four equivalent In(1)Ce4In8 cuboctahedra. Pt(1) is bonded in a body-centered cubic geometry to four equivalent In(2) and four equivalent In(3) atoms. 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, faces with four equivalent Ce(1)In12 cuboctahedra, and faces with four equivalent In(1)Ce4In8 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Pt(1) atoms to form a mixture of edge and corner-sharing InPt4 tetrahedra. In the third In site, In(3) is bonded in a 4-coordinate geometry to two equivalent Ce(1), two equivalent Pt(1), and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_CeIn7Pt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.324
_cell_length_b   11.324
_cell_length_c   11.324
_cell_angle_alpha   156.181
_cell_angle_beta   156.181
_cell_angle_gamma   33.937
_symmetry_Int_Tables_number   1
_cell_volume   236.593
_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  0.500  0.500  0.000  1.0
  In  In1  1  0.000  0.000  0.000  1.0
  In  In2  1  0.750  0.250  0.500  1.0
  In  In3  1  0.250  0.750  0.500  1.0
  In  In4  1  0.894  0.394  0.500  1.0
  In  In5  1  0.394  0.894  0.500  1.0
  In  In6  1  0.106  0.606  0.500  1.0
  In  In7  1  0.606  0.106  0.500  1.0
  Pt  Pt8  1  0.675  0.675  0.000  1.0
  Pt  Pt9  1  0.325  0.325  0.000  1.0
[/CIF]
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