CeFeAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4mm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 4-coordinate geometry to four equivalent As(2) and four equivalent O(1) atoms. In the second Ce site, Ce(2) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. Fe(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Ce(2) and four equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Fe(1) atoms. O(1) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
CeFeAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4mm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 4-coordinate geometry to four equivalent As(2) and four equivalent O(1) atoms. All Ce(1)-As(2) bond lengths are 3.21 Å. All Ce(1)-O(1) bond lengths are 2.36 Å. In the second Ce site, Ce(2) is bonded in a 4-coordinate geometry to four equivalent As(1) and four equivalent O(1) atoms. All Ce(2)-As(1) bond lengths are 3.27 Å. All Ce(2)-O(1) bond lengths are 2.34 Å. Fe(1) is bonded to two equivalent As(1) and two equivalent As(2) atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. Both Fe(1)-As(1) bond lengths are 2.62 Å. Both Fe(1)-As(2) bond lengths are 2.61 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Ce(2) and four equivalent Fe(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Ce(1) and four equivalent Fe(1) atoms. O(1) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.