The material structure described by Ce(NiIn2)3 crystallizes in the orthorhombic Pmmn space group. Ce(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), one In(2), two equivalent In(1), four equivalent In(4), and six equivalent In(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), one In(1), and six equivalent In(3) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one In(1), three equivalent In(2), and three equivalent In(4) atoms. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to two equivalent Ce(1), one Ni(1), two equivalent Ni(2), and four equivalent In(3) atoms. In the second In site, In(2) is bonded in a 6-coordinate geometry to one Ce(1) and six equivalent Ni(2) atoms. In the third In site, In(3) is bonded in a 12-coordinate geometry to three equivalent Ce(1), three equivalent Ni(1), one In(4), two equivalent In(1), and three equivalent In(3) atoms. In the fourth In site, In(4) is bonded in a 5-coordinate geometry to two equivalent Ce(1), three equivalent Ni(2), and one In(3) atom. is represented by the CIF card [CIF]
data_Ce(In2Ni)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.411
_cell_length_b   7.705
_cell_length_c   11.871
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.449
_cell_formula_units_Z   2
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  0.750  0.750  0.676  1.0
  Ce  Ce1  1  0.250  0.250  0.324  1.0
  In  In2  1  0.250  0.750  0.251  1.0
  In  In3  1  0.750  0.250  0.749  1.0
  In  In4  1  0.750  0.750  0.988  1.0
  In  In5  1  0.250  0.250  0.012  1.0
  In  In6  1  0.750  0.950  0.416  1.0
  In  In7  1  0.750  0.550  0.416  1.0
  In  In8  1  0.250  0.050  0.584  1.0
  In  In9  1  0.250  0.450  0.584  1.0
  In  In10  1  0.750  0.050  0.164  1.0
  In  In11  1  0.750  0.450  0.164  1.0
  In  In12  1  0.250  0.950  0.836  1.0
  In  In13  1  0.250  0.550  0.836  1.0
  Ni  Ni14  1  0.750  0.250  0.530  1.0
  Ni  Ni15  1  0.250  0.750  0.470  1.0
  Ni  Ni16  1  0.750  0.074  0.935  1.0
  Ni  Ni17  1  0.750  0.426  0.935  1.0
  Ni  Ni18  1  0.250  0.926  0.065  1.0
  Ni  Ni19  1  0.250  0.574  0.065  1.0
[/CIF]
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The material structure described by Ce(NiIn2)3 crystallizes in the orthorhombic Pmmn space group. Ce(1) is bonded in a 15-coordinate geometry to two equivalent Ni(1), one In(2), two equivalent In(1), four equivalent In(4), and six equivalent In(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), one In(1), and six equivalent In(3) atoms. In the second Ni site, Ni(2) is bonded in a 7-coordinate geometry to one In(1), three equivalent In(2), and three equivalent In(4) atoms. There are four inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to two equivalent Ce(1), one Ni(1), two equivalent Ni(2), and four equivalent In(3) atoms. In the second In site, In(2) is bonded in a 6-coordinate geometry to one Ce(1) and six equivalent Ni(2) atoms. In the third In site, In(3) is bonded in a 12-coordinate geometry to three equivalent Ce(1), three equivalent Ni(1), one In(4), two equivalent In(1), and three equivalent In(3) atoms. In the fourth In site, In(4) is bonded in a 5-coordinate geometry to two equivalent Ce(1), three equivalent Ni(2), and one In(3) atom. is represented by the CIF card [CIF]
data_Ce(In2Ni)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.411
_cell_length_b   7.705
_cell_length_c   11.871
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.449
_cell_formula_units_Z   2
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  0.750  0.750  0.676  1.0
  Ce  Ce1  1  0.250  0.250  0.324  1.0
  In  In2  1  0.250  0.750  0.251  1.0
  In  In3  1  0.750  0.250  0.749  1.0
  In  In4  1  0.750  0.750  0.988  1.0
  In  In5  1  0.250  0.250  0.012  1.0
  In  In6  1  0.750  0.950  0.416  1.0
  In  In7  1  0.750  0.550  0.416  1.0
  In  In8  1  0.250  0.050  0.584  1.0
  In  In9  1  0.250  0.450  0.584  1.0
  In  In10  1  0.750  0.050  0.164  1.0
  In  In11  1  0.750  0.450  0.164  1.0
  In  In12  1  0.250  0.950  0.836  1.0
  In  In13  1  0.250  0.550  0.836  1.0
  Ni  Ni14  1  0.750  0.250  0.530  1.0
  Ni  Ni15  1  0.250  0.750  0.470  1.0
  Ni  Ni16  1  0.750  0.074  0.935  1.0
  Ni  Ni17  1  0.750  0.426  0.935  1.0
  Ni  Ni18  1  0.250  0.926  0.065  1.0
  Ni  Ni19  1  0.250  0.574  0.065  1.0
[/CIF]
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