CaCeFeAl2Si3O13 is Esseneite-derived structured and crystallizes in the monoclinic P2_1/m space group. Ca(1) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms. Ce(1) is bonded in a 4-coordinate geometry to one O(10), one O(7), two equivalent O(3), and four equivalent O(2) atoms. Fe(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Al(1)O6 octahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. In the second Al site, Al(2) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Al(2)O6 octahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(7), one O(9), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. In the second Si site, Si(2) is bonded to one O(8), one O(9), and two equivalent O(3) atoms to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the third Si site, Si(3) is bonded to one O(5), one O(6), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and corners with two equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. There are ten inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Al(2) and one Si(3) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Ce(1), and one Si(1) atom. In the third O site, O(8) is bonded in a 2-coordinate geometry to one Fe(1) and one Si(2) atom. In the fourth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Ce(1) and two equivalent Al(2) atoms. In the sixth O site, O(1) is bonded to one Ca(1), one Fe(1), one Al(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OCaAlFeSi tetrahedra. In the seventh O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ce(1), one Fe(1), and one Si(3) atom. In the eighth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ce(1), one Al(2), and one Si(2) atom. In the ninth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Fe(1) and two equivalent Al(1) atoms. In the tenth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), two equivalent Al(1), and one Si(3) atom.
CaCeFeAl2Si3O13 is Esseneite-derived structured and crystallizes in the monoclinic P2_1/m space group. Ca(1) is bonded in a 6-coordinate geometry to one O(5), one O(7), two equivalent O(1), and two equivalent O(3) atoms. The Ca(1)-O(5) bond length is 2.55 Å. The Ca(1)-O(7) bond length is 2.49 Å. Both Ca(1)-O(1) bond lengths are 2.40 Å. Both Ca(1)-O(3) bond lengths are 2.36 Å. Ce(1) is bonded in a 4-coordinate geometry to one O(10), one O(7), two equivalent O(3), and four equivalent O(2) atoms. The Ce(1)-O(10) bond length is 2.17 Å. The Ce(1)-O(7) bond length is 2.28 Å. Both Ce(1)-O(3) bond lengths are 2.67 Å. There are two shorter (2.41 Å) and two longer (2.90 Å) Ce(1)-O(2) bond lengths. Fe(1) is bonded to one O(4), one O(8), two equivalent O(1), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Al(1)O6 octahedra. The Fe(1)-O(4) bond length is 1.94 Å. The Fe(1)-O(8) bond length is 1.96 Å. Both Fe(1)-O(1) bond lengths are 2.36 Å. Both Fe(1)-O(2) bond lengths are 2.16 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form AlO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Al(1)O6 octahedra. Both Al(1)-O(1) bond lengths are 1.97 Å. Both Al(1)-O(4) bond lengths are 1.82 Å. Both Al(1)-O(5) bond lengths are 2.04 Å. In the second Al site, Al(2) is bonded to two equivalent O(10), two equivalent O(3), and two equivalent O(6) atoms to form AlO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and edges with two equivalent Al(2)O6 octahedra. Both Al(2)-O(10) bond lengths are 1.89 Å. Both Al(2)-O(3) bond lengths are 1.89 Å. Both Al(2)-O(6) bond lengths are 1.97 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(7), one O(9), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and  a cornercorner with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 56°. The Si(1)-O(7) bond length is 1.63 Å. The Si(1)-O(9) bond length is 1.67 Å. Both Si(1)-O(1) bond lengths are 1.64 Å. In the second Si site, Si(2) is bonded to one O(8), one O(9), and two equivalent O(3) atoms to form SiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Al(2)O6 octahedra, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Si(2)-O(8) bond length is 1.61 Å. The Si(2)-O(9) bond length is 1.66 Å. Both Si(2)-O(3) bond lengths are 1.64 Å. In the third Si site, Si(3) is bonded to one O(5), one O(6), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, and corners with two equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. The Si(3)-O(5) bond length is 1.66 Å. The Si(3)-O(6) bond length is 1.65 Å. Both Si(3)-O(2) bond lengths are 1.65 Å. There are ten inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Al(2) and one Si(3) atom. In the second O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Ce(1), and one Si(1) atom. In the third O site, O(8) is bonded in a 2-coordinate geometry to one Fe(1) and one Si(2) atom. In the fourth O site, O(9) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(2) atom. In the fifth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Ce(1) and two equivalent Al(2) atoms. In the sixth O site, O(1) is bonded to one Ca(1), one Fe(1), one Al(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OCaAlFeSi tetrahedra. In the seventh O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ce(1), one Fe(1), and one Si(3) atom. In the eighth O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one Ce(1), one Al(2), and one Si(2) atom. In the ninth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Fe(1) and two equivalent Al(1) atoms. In the tenth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(1), two equivalent Al(1), and one Si(3) atom.