The structure described by Ce3Ti6Fe23 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 14-coordinate geometry to one Ti(3), one Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(7), four equivalent Fe(6), and six equivalent Fe(3) atoms. In the second Ce site, Ce(2) is bonded in a 20-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Fe(1), two equivalent Fe(4), four equivalent Fe(2), four equivalent Fe(5), and four equivalent Fe(7) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 12-coordinate geometry to one Ce(2), one Ti(3), one Fe(1), one Fe(4), two equivalent Fe(2), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to one Ce(2), one Ti(2), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), and two equivalent Fe(7) atoms. In the third Ti site, Ti(3) is bonded in a 12-coordinate geometry to one Ce(1), one Ti(1), one Fe(1), one Fe(8), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), and two equivalent Fe(7) atoms. There are eight inequivalent Fe sites. In the first Fe site, Fe(6) is bonded to two equivalent Ce(1), one Ti(1), one Ti(3), one Fe(2), one Fe(4), one Fe(6), one Fe(7), one Fe(8), and three equivalent Fe(3) atoms to form distorted FeCe2Ti2Fe8 cuboctahedra that share  a cornercorner with one Fe(5)Ce2Ti4Fe6 cuboctahedra,  a cornercorner with one Fe(4)Ce3TiFe8 cuboctahedra, corners with three equivalent Fe(1)Ce2Ti4Fe6 cuboctahedra, corners with four equivalent Fe(3)Ce3TiFe8 cuboctahedra, corners with six equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra,  an edgeedge with one Fe(3)Ce3TiFe8 cuboctahedra,  an edgeedge with one Fe(4)Ce3TiFe8 cuboctahedra,  a faceface with one Fe(1)Ce2Ti4Fe6 cuboctahedra,  a faceface with one Fe(5)Ce2Ti4Fe6 cuboctahedra, faces with two equivalent Fe(4)Ce3TiFe8 cuboctahedra, faces with three equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, and faces with six equivalent Fe(3)Ce3TiFe8 cuboctahedra. In the second Fe site, Fe(7) is bonded in a 12-coordinate geometry to one Ce(1), one Ce(2), one Ti(1), one Ti(2), one Ti(3), one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), and two equivalent Fe(2) atoms. In the third Fe site, Fe(8) is bonded in a 10-coordinate geometry to two equivalent Ti(3), four equivalent Fe(3), and four equivalent Fe(6) atoms. In the fourth Fe site, Fe(1) is bonded to one Ce(1), one Ce(2), one Ti(1), one Ti(3), two equivalent Ti(2), two equivalent Fe(2), two equivalent Fe(5), and two equivalent Fe(7) atoms to form distorted FeCe2Ti4Fe6 cuboctahedra that share corners with two equivalent Fe(3)Ce3TiFe8 cuboctahedra, corners with three equivalent Fe(1)Ce2Ti4Fe6 cuboctahedra, corners with three equivalent Fe(4)Ce3TiFe8 cuboctahedra, corners with four equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, corners with six equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra,  an edgeedge with one Fe(1)Ce2Ti4Fe6 cuboctahedra,  an edgeedge with one Fe(4)Ce3TiFe8 cuboctahedra, edges with two equivalent Fe(3)Ce3TiFe8 cuboctahedra,  a faceface with one Fe(4)Ce3TiFe8 cuboctahedra, faces with two equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, faces with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, and faces with two equivalent Fe(3)Ce3TiFe8 cuboctahedra. In the fifth Fe site, Fe(2) is bonded in a 12-coordinate geometry to one Ce(1), one Ce(2), one Ti(1), one Ti(2), one Ti(3), one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), and two equivalent Fe(7) atoms. In the sixth Fe site, Fe(3) is bonded to three equivalent Ce(1), one Ti(3), one Fe(2), one Fe(3), one Fe(4), one Fe(7), one Fe(8), and three equivalent Fe(6) atoms to form distorted FeCe3TiFe8 cuboctahedra that share  a cornercorner with one Fe(1)Ce2Ti4Fe6 cuboctahedra, corners with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, corners with two equivalent Fe(4)Ce3TiFe8 cuboctahedra, corners with four equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, corners with five equivalent Fe(3)Ce3TiFe8 cuboctahedra,  an edgeedge with one Fe(6)Ce2Ti2Fe8 cuboctahedra,  an edgeedge with one Fe(1)Ce2Ti4Fe6 cuboctahedra,  an edgeedge with one Fe(4)Ce3TiFe8 cuboctahedra, edges with three equivalent Fe(3)Ce3TiFe8 cuboctahedra,  a faceface with one Fe(1)Ce2Ti4Fe6 cuboctahedra, faces with two equivalent Fe(4)Ce3TiFe8 cuboctahedra, faces with four equivalent Fe(3)Ce3TiFe8 cuboctahedra, and faces with six equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra. In the seventh Fe site, Fe(4) is bonded to one Ce(2), two equivalent Ce(1), one Ti(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), and two equivalent Fe(7) atoms to form distorted FeCe3TiFe8 cuboctahedra that share  a cornercorner with one Fe(4)Ce3TiFe8 cuboctahedra, corners with two equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, corners with three equivalent Fe(1)Ce2Ti4Fe6 cuboctahedra, corners with four equivalent Fe(3)Ce3TiFe8 cuboctahedra,  an edgeedge with one Fe(1)Ce2Ti4Fe6 cuboctahedra,  an edgeedge with one Fe(4)Ce3TiFe8 cuboctahedra, edges with two equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, edges with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, edges with two equivalent Fe(3)Ce3TiFe8 cuboctahedra,  a faceface with one Fe(1)Ce2Ti4Fe6 cuboctahedra, faces with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, faces with four equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, and faces with four equivalent Fe(3)Ce3TiFe8 cuboctahedra. In the eighth Fe site, Fe(5) is bonded to two equivalent Ce(2), two equivalent Ti(1), two equivalent Ti(2), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(7) atoms to form distorted FeCe2Ti4Fe6 cuboctahedra that share corners with two equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, corners with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, corners with four equivalent Fe(1)Ce2Ti4Fe6 cuboctahedra, corners with four equivalent Fe(3)Ce3TiFe8 cuboctahedra, edges with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, edges with two equivalent Fe(4)Ce3TiFe8 cuboctahedra, faces with two equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, faces with two equivalent Fe(1)Ce2Ti4Fe6 cuboctahedra, faces with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, and faces with two equivalent Fe(4)Ce3TiFe8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Ti6Fe23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.547
_cell_length_b   6.547
_cell_length_c   10.577
_cell_angle_alpha   85.734
_cell_angle_beta   85.734
_cell_angle_gamma   82.541
_symmetry_Int_Tables_number   1
_cell_volume   447.382
_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  0.172  0.172  0.407  1.0
  Ce  Ce1  1  0.828  0.828  0.593  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Ti  Ti3  1  0.282  0.282  0.861  1.0
  Ti  Ti4  1  0.718  0.718  0.139  1.0
  Ti  Ti5  1  0.346  0.654  0.000  1.0
  Ti  Ti6  1  0.654  0.346  0.000  1.0
  Ti  Ti7  1  0.531  0.531  0.737  1.0
  Ti  Ti8  1  0.469  0.469  0.263  1.0
  Fe  Fe9  1  0.729  0.729  0.887  1.0
  Fe  Fe10  1  0.271  0.271  0.113  1.0
  Fe  Fe11  1  0.692  0.127  0.799  1.0
  Fe  Fe12  1  0.308  0.873  0.201  1.0
  Fe  Fe13  1  0.873  0.308  0.201  1.0
  Fe  Fe14  1  0.127  0.692  0.799  1.0
  Fe  Fe15  1  0.313  0.815  0.593  1.0
  Fe  Fe16  1  0.687  0.185  0.407  1.0
  Fe  Fe17  1  0.185  0.687  0.407  1.0
  Fe  Fe18  1  0.815  0.313  0.593  1.0
  Fe  Fe19  1  0.093  0.093  0.704  1.0
  Fe  Fe20  1  0.907  0.907  0.296  1.0
  Fe  Fe21  1  0.500  0.000  0.000  1.0
  Fe  Fe22  1  0.000  0.500  0.000  1.0
  Fe  Fe23  1  0.460  0.169  0.619  1.0
  Fe  Fe24  1  0.540  0.831  0.381  1.0
  Fe  Fe25  1  0.831  0.540  0.381  1.0
  Fe  Fe26  1  0.169  0.460  0.619  1.0
  Fe  Fe27  1  0.409  0.907  0.796  1.0
  Fe  Fe28  1  0.591  0.093  0.204  1.0
  Fe  Fe29  1  0.093  0.591  0.204  1.0
  Fe  Fe30  1  0.907  0.409  0.796  1.0
  Fe  Fe31  1  0.500  0.500  0.500  1.0
[/CIF]
.
The structure described by Ce3Ti6Fe23 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 14-coordinate geometry to one Ti(3), one Fe(1), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(7), four equivalent Fe(6), and six equivalent Fe(3) atoms. In the second Ce site, Ce(2) is bonded in a 20-coordinate geometry to two equivalent Ti(1), two equivalent Ti(2), two equivalent Fe(1), two equivalent Fe(4), four equivalent Fe(2), four equivalent Fe(5), and four equivalent Fe(7) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 12-coordinate geometry to one Ce(2), one Ti(3), one Fe(1), one Fe(4), two equivalent Fe(2), two equivalent Fe(5), two equivalent Fe(6), and two equivalent Fe(7) atoms. In the second Ti site, Ti(2) is bonded in a 10-coordinate geometry to one Ce(2), one Ti(2), two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(5), and two equivalent Fe(7) atoms. In the third Ti site, Ti(3) is bonded in a 12-coordinate geometry to one Ce(1), one Ti(1), one Fe(1), one Fe(8), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), and two equivalent Fe(7) atoms. There are eight inequivalent Fe sites. In the first Fe site, Fe(6) is bonded to two equivalent Ce(1), one Ti(1), one Ti(3), one Fe(2), one Fe(4), one Fe(6), one Fe(7), one Fe(8), and three equivalent Fe(3) atoms to form distorted FeCe2Ti2Fe8 cuboctahedra that share  a cornercorner with one Fe(5)Ce2Ti4Fe6 cuboctahedra,  a cornercorner with one Fe(4)Ce3TiFe8 cuboctahedra, corners with three equivalent Fe(1)Ce2Ti4Fe6 cuboctahedra, corners with four equivalent Fe(3)Ce3TiFe8 cuboctahedra, corners with six equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra,  an edgeedge with one Fe(3)Ce3TiFe8 cuboctahedra,  an edgeedge with one Fe(4)Ce3TiFe8 cuboctahedra,  a faceface with one Fe(1)Ce2Ti4Fe6 cuboctahedra,  a faceface with one Fe(5)Ce2Ti4Fe6 cuboctahedra, faces with two equivalent Fe(4)Ce3TiFe8 cuboctahedra, faces with three equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, and faces with six equivalent Fe(3)Ce3TiFe8 cuboctahedra. In the second Fe site, Fe(7) is bonded in a 12-coordinate geometry to one Ce(1), one Ce(2), one Ti(1), one Ti(2), one Ti(3), one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), and two equivalent Fe(2) atoms. In the third Fe site, Fe(8) is bonded in a 10-coordinate geometry to two equivalent Ti(3), four equivalent Fe(3), and four equivalent Fe(6) atoms. In the fourth Fe site, Fe(1) is bonded to one Ce(1), one Ce(2), one Ti(1), one Ti(3), two equivalent Ti(2), two equivalent Fe(2), two equivalent Fe(5), and two equivalent Fe(7) atoms to form distorted FeCe2Ti4Fe6 cuboctahedra that share corners with two equivalent Fe(3)Ce3TiFe8 cuboctahedra, corners with three equivalent Fe(1)Ce2Ti4Fe6 cuboctahedra, corners with three equivalent Fe(4)Ce3TiFe8 cuboctahedra, corners with four equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, corners with six equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra,  an edgeedge with one Fe(1)Ce2Ti4Fe6 cuboctahedra,  an edgeedge with one Fe(4)Ce3TiFe8 cuboctahedra, edges with two equivalent Fe(3)Ce3TiFe8 cuboctahedra,  a faceface with one Fe(4)Ce3TiFe8 cuboctahedra, faces with two equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, faces with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, and faces with two equivalent Fe(3)Ce3TiFe8 cuboctahedra. In the fifth Fe site, Fe(2) is bonded in a 12-coordinate geometry to one Ce(1), one Ce(2), one Ti(1), one Ti(2), one Ti(3), one Fe(1), one Fe(3), one Fe(4), one Fe(5), one Fe(6), and two equivalent Fe(7) atoms. In the sixth Fe site, Fe(3) is bonded to three equivalent Ce(1), one Ti(3), one Fe(2), one Fe(3), one Fe(4), one Fe(7), one Fe(8), and three equivalent Fe(6) atoms to form distorted FeCe3TiFe8 cuboctahedra that share  a cornercorner with one Fe(1)Ce2Ti4Fe6 cuboctahedra, corners with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, corners with two equivalent Fe(4)Ce3TiFe8 cuboctahedra, corners with four equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, corners with five equivalent Fe(3)Ce3TiFe8 cuboctahedra,  an edgeedge with one Fe(6)Ce2Ti2Fe8 cuboctahedra,  an edgeedge with one Fe(1)Ce2Ti4Fe6 cuboctahedra,  an edgeedge with one Fe(4)Ce3TiFe8 cuboctahedra, edges with three equivalent Fe(3)Ce3TiFe8 cuboctahedra,  a faceface with one Fe(1)Ce2Ti4Fe6 cuboctahedra, faces with two equivalent Fe(4)Ce3TiFe8 cuboctahedra, faces with four equivalent Fe(3)Ce3TiFe8 cuboctahedra, and faces with six equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra. In the seventh Fe site, Fe(4) is bonded to one Ce(2), two equivalent Ce(1), one Ti(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), and two equivalent Fe(7) atoms to form distorted FeCe3TiFe8 cuboctahedra that share  a cornercorner with one Fe(4)Ce3TiFe8 cuboctahedra, corners with two equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, corners with three equivalent Fe(1)Ce2Ti4Fe6 cuboctahedra, corners with four equivalent Fe(3)Ce3TiFe8 cuboctahedra,  an edgeedge with one Fe(1)Ce2Ti4Fe6 cuboctahedra,  an edgeedge with one Fe(4)Ce3TiFe8 cuboctahedra, edges with two equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, edges with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, edges with two equivalent Fe(3)Ce3TiFe8 cuboctahedra,  a faceface with one Fe(1)Ce2Ti4Fe6 cuboctahedra, faces with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, faces with four equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, and faces with four equivalent Fe(3)Ce3TiFe8 cuboctahedra. In the eighth Fe site, Fe(5) is bonded to two equivalent Ce(2), two equivalent Ti(1), two equivalent Ti(2), two equivalent Fe(1), two equivalent Fe(2), and two equivalent Fe(7) atoms to form distorted FeCe2Ti4Fe6 cuboctahedra that share corners with two equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, corners with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, corners with four equivalent Fe(1)Ce2Ti4Fe6 cuboctahedra, corners with four equivalent Fe(3)Ce3TiFe8 cuboctahedra, edges with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, edges with two equivalent Fe(4)Ce3TiFe8 cuboctahedra, faces with two equivalent Fe(6)Ce2Ti2Fe8 cuboctahedra, faces with two equivalent Fe(1)Ce2Ti4Fe6 cuboctahedra, faces with two equivalent Fe(5)Ce2Ti4Fe6 cuboctahedra, and faces with two equivalent Fe(4)Ce3TiFe8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Ti6Fe23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.547
_cell_length_b   6.547
_cell_length_c   10.577
_cell_angle_alpha   85.734
_cell_angle_beta   85.734
_cell_angle_gamma   82.541
_symmetry_Int_Tables_number   1
_cell_volume   447.382
_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  0.172  0.172  0.407  1.0
  Ce  Ce1  1  0.828  0.828  0.593  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Ti  Ti3  1  0.282  0.282  0.861  1.0
  Ti  Ti4  1  0.718  0.718  0.139  1.0
  Ti  Ti5  1  0.346  0.654  0.000  1.0
  Ti  Ti6  1  0.654  0.346  0.000  1.0
  Ti  Ti7  1  0.531  0.531  0.737  1.0
  Ti  Ti8  1  0.469  0.469  0.263  1.0
  Fe  Fe9  1  0.729  0.729  0.887  1.0
  Fe  Fe10  1  0.271  0.271  0.113  1.0
  Fe  Fe11  1  0.692  0.127  0.799  1.0
  Fe  Fe12  1  0.308  0.873  0.201  1.0
  Fe  Fe13  1  0.873  0.308  0.201  1.0
  Fe  Fe14  1  0.127  0.692  0.799  1.0
  Fe  Fe15  1  0.313  0.815  0.593  1.0
  Fe  Fe16  1  0.687  0.185  0.407  1.0
  Fe  Fe17  1  0.185  0.687  0.407  1.0
  Fe  Fe18  1  0.815  0.313  0.593  1.0
  Fe  Fe19  1  0.093  0.093  0.704  1.0
  Fe  Fe20  1  0.907  0.907  0.296  1.0
  Fe  Fe21  1  0.500  0.000  0.000  1.0
  Fe  Fe22  1  0.000  0.500  0.000  1.0
  Fe  Fe23  1  0.460  0.169  0.619  1.0
  Fe  Fe24  1  0.540  0.831  0.381  1.0
  Fe  Fe25  1  0.831  0.540  0.381  1.0
  Fe  Fe26  1  0.169  0.460  0.619  1.0
  Fe  Fe27  1  0.409  0.907  0.796  1.0
  Fe  Fe28  1  0.591  0.093  0.204  1.0
  Fe  Fe29  1  0.093  0.591  0.204  1.0
  Fe  Fe30  1  0.907  0.409  0.796  1.0
  Fe  Fe31  1  0.500  0.500  0.500  1.0
[/CIF]
.