The material structure described by Ce4Ni4Al16C3 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a distorted L-shaped geometry to two equivalent Ni(1) and two equivalent C(1) atoms. In the second Ce site, Ce(2) is bonded in a 11-coordinate geometry to two equivalent Ni(2), one Al(7), four equivalent Al(4), and four equivalent Al(5) atoms. In the third Ce site, Ce(3) is bonded in a distorted L-shaped geometry to two equivalent Ni(3) and two equivalent C(3) atoms. In the fourth Ce site, Ce(4) is bonded in a distorted L-shaped geometry to two equivalent Ni(4) and two equivalent C(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), one Al(7), two equivalent Al(3), and four equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Ce(2), one Al(8), two equivalent Al(4), and four equivalent Al(2) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to two equivalent Ce(3), one Al(9), two equivalent Al(1), and four equivalent Al(3) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to two equivalent Ce(4), one Al(10), two equivalent Al(2), and four equivalent Al(4) atoms. There are ten inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to one Ni(3) and two equivalent Ni(1) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Ni(4) and two equivalent Ni(2) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to one Ni(1) and two equivalent Ni(3) atoms. In the fourth Al site, Al(4) is bonded in a 3-coordinate geometry to two equivalent Ce(2), one Ni(2), and two equivalent Ni(4) atoms. In the fifth Al site, Al(5) is bonded in a single-bond geometry to two equivalent Ce(2) and one C(3) atom. In the sixth Al site, Al(6) is bonded in a linear geometry to one C(1) and one C(2) atom. In the seventh Al site, Al(7) is bonded in a distorted single-bond geometry to one Ce(2) and one Ni(1) atom. In the eighth Al site, Al(8) is bonded in a distorted trigonal planar geometry to one Ni(2) and two equivalent C(1) atoms. In the ninth Al site, Al(9) is bonded in a distorted trigonal planar geometry to one Ni(3) and two equivalent C(2) atoms. In the tenth Al site, Al(10) is bonded in a distorted trigonal planar geometry to one Ni(4) and two equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Ce(1), two equivalent Al(6), and two equivalent Al(8) atoms to form a mixture of corner and edge-sharing CCe2Al4 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second C site, C(2) is bonded to two equivalent Ce(4), two equivalent Al(6), and two equivalent Al(9) atoms to form a mixture of corner and edge-sharing CCe2Al4 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third C site, C(3) is bonded to two equivalent Ce(3), two equivalent Al(10), and two equivalent Al(5) atoms to form edge-sharing CCe2Al4 octahedra. is represented by the CIF file [CIF]
data_Ce4Al16Ni4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.550
_cell_length_b   7.753
_cell_length_c   15.915
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.073
_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  0.750  0.387  1.0
  Ce  Ce1  1  0.000  0.750  0.881  1.0
  Ce  Ce2  1  0.000  0.250  0.107  1.0
  Ce  Ce3  1  0.500  0.250  0.607  1.0
  Al  Al4  1  0.500  0.556  0.185  1.0
  Al  Al5  1  0.000  0.549  0.688  1.0
  Al  Al6  1  0.000  0.450  0.306  1.0
  Al  Al7  1  0.500  0.448  0.810  1.0
  Al  Al8  1  0.500  0.944  0.185  1.0
  Al  Al9  1  0.000  0.951  0.688  1.0
  Al  Al10  1  0.000  0.050  0.306  1.0
  Al  Al11  1  0.500  0.052  0.810  1.0
  Al  Al12  1  0.500  0.516  0.997  1.0
  Al  Al13  1  0.000  0.500  0.498  1.0
  Al  Al14  1  0.500  0.984  0.997  1.0
  Al  Al15  1  0.000  1.000  0.498  1.0
  Al  Al16  1  0.000  0.750  0.079  1.0
  Al  Al17  1  0.500  0.750  0.580  1.0
  Al  Al18  1  0.500  0.250  0.414  1.0
  Al  Al19  1  0.000  0.250  0.919  1.0
  Ni  Ni20  1  0.000  0.750  0.233  1.0
  Ni  Ni21  1  0.500  0.750  0.732  1.0
  Ni  Ni22  1  0.500  0.250  0.261  1.0
  Ni  Ni23  1  0.000  0.250  0.769  1.0
  C  C24  1  0.000  0.750  0.503  1.0
  C  C25  1  0.000  0.250  0.491  1.0
  C  C26  1  0.500  0.250  0.994  1.0
[/CIF]
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The material structure described by Ce4Ni4Al16C3 crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a distorted L-shaped geometry to two equivalent Ni(1) and two equivalent C(1) atoms. In the second Ce site, Ce(2) is bonded in a 11-coordinate geometry to two equivalent Ni(2), one Al(7), four equivalent Al(4), and four equivalent Al(5) atoms. In the third Ce site, Ce(3) is bonded in a distorted L-shaped geometry to two equivalent Ni(3) and two equivalent C(3) atoms. In the fourth Ce site, Ce(4) is bonded in a distorted L-shaped geometry to two equivalent Ni(4) and two equivalent C(2) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), one Al(7), two equivalent Al(3), and four equivalent Al(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Ce(2), one Al(8), two equivalent Al(4), and four equivalent Al(2) atoms. In the third Ni site, Ni(3) is bonded in a 9-coordinate geometry to two equivalent Ce(3), one Al(9), two equivalent Al(1), and four equivalent Al(3) atoms. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to two equivalent Ce(4), one Al(10), two equivalent Al(2), and four equivalent Al(4) atoms. There are ten inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to one Ni(3) and two equivalent Ni(1) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Ni(4) and two equivalent Ni(2) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to one Ni(1) and two equivalent Ni(3) atoms. In the fourth Al site, Al(4) is bonded in a 3-coordinate geometry to two equivalent Ce(2), one Ni(2), and two equivalent Ni(4) atoms. In the fifth Al site, Al(5) is bonded in a single-bond geometry to two equivalent Ce(2) and one C(3) atom. In the sixth Al site, Al(6) is bonded in a linear geometry to one C(1) and one C(2) atom. In the seventh Al site, Al(7) is bonded in a distorted single-bond geometry to one Ce(2) and one Ni(1) atom. In the eighth Al site, Al(8) is bonded in a distorted trigonal planar geometry to one Ni(2) and two equivalent C(1) atoms. In the ninth Al site, Al(9) is bonded in a distorted trigonal planar geometry to one Ni(3) and two equivalent C(2) atoms. In the tenth Al site, Al(10) is bonded in a distorted trigonal planar geometry to one Ni(4) and two equivalent C(3) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Ce(1), two equivalent Al(6), and two equivalent Al(8) atoms to form a mixture of corner and edge-sharing CCe2Al4 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second C site, C(2) is bonded to two equivalent Ce(4), two equivalent Al(6), and two equivalent Al(9) atoms to form a mixture of corner and edge-sharing CCe2Al4 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third C site, C(3) is bonded to two equivalent Ce(3), two equivalent Al(10), and two equivalent Al(5) atoms to form edge-sharing CCe2Al4 octahedra. is represented by the CIF file [CIF]
data_Ce4Al16Ni4C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.550
_cell_length_b   7.753
_cell_length_c   15.915
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   438.073
_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  0.750  0.387  1.0
  Ce  Ce1  1  0.000  0.750  0.881  1.0
  Ce  Ce2  1  0.000  0.250  0.107  1.0
  Ce  Ce3  1  0.500  0.250  0.607  1.0
  Al  Al4  1  0.500  0.556  0.185  1.0
  Al  Al5  1  0.000  0.549  0.688  1.0
  Al  Al6  1  0.000  0.450  0.306  1.0
  Al  Al7  1  0.500  0.448  0.810  1.0
  Al  Al8  1  0.500  0.944  0.185  1.0
  Al  Al9  1  0.000  0.951  0.688  1.0
  Al  Al10  1  0.000  0.050  0.306  1.0
  Al  Al11  1  0.500  0.052  0.810  1.0
  Al  Al12  1  0.500  0.516  0.997  1.0
  Al  Al13  1  0.000  0.500  0.498  1.0
  Al  Al14  1  0.500  0.984  0.997  1.0
  Al  Al15  1  0.000  1.000  0.498  1.0
  Al  Al16  1  0.000  0.750  0.079  1.0
  Al  Al17  1  0.500  0.750  0.580  1.0
  Al  Al18  1  0.500  0.250  0.414  1.0
  Al  Al19  1  0.000  0.250  0.919  1.0
  Ni  Ni20  1  0.000  0.750  0.233  1.0
  Ni  Ni21  1  0.500  0.750  0.732  1.0
  Ni  Ni22  1  0.500  0.250  0.261  1.0
  Ni  Ni23  1  0.000  0.250  0.769  1.0
  C  C24  1  0.000  0.750  0.503  1.0
  C  C25  1  0.000  0.250  0.491  1.0
  C  C26  1  0.500  0.250  0.994  1.0
[/CIF]
.